smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000301492722 970955886 /nfs/dbraw/zinc/95/58/86/970955886.db2.gz OJVMFLBMSFBRFU-OAHLLOKOSA-N 1 1 415.987 3.596 20 30 HHEDMO Cc1cc(F)cc2c1ncc(C#N)c2N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000302390680 971231380 /nfs/dbraw/zinc/23/13/80/971231380.db2.gz BTEHCGSIBJUAPF-DEOSSOPVSA-N 1 1 404.489 3.627 20 30 HHEDMO C=CCc1cc(OC)cc(C[NH+]2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1O ZINC000302799046 971323739 /nfs/dbraw/zinc/32/37/39/971323739.db2.gz DPIWDPGHGAONPN-UHFFFAOYSA-N 1 1 423.557 3.502 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000303184715 971547803 /nfs/dbraw/zinc/54/78/03/971547803.db2.gz YXTMNULJCCHTPF-UHFFFAOYSA-N 1 1 412.331 3.598 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC(n3ccnc3)CC2)c1C#N ZINC000303389020 971677170 /nfs/dbraw/zinc/67/71/70/971677170.db2.gz PMTSBRFEFQOEPU-UHFFFAOYSA-N 1 1 408.550 3.954 20 30 HHEDMO CCOCC[NH+]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 ZINC000303451258 971750893 /nfs/dbraw/zinc/75/08/93/971750893.db2.gz INOGVITZZUCJMZ-UHFFFAOYSA-N 1 1 422.529 3.632 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000303517394 971818465 /nfs/dbraw/zinc/81/84/65/971818465.db2.gz DMJOAVACDXCOJG-DEOSSOPVSA-N 1 1 405.542 3.922 20 30 HHEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000303600702 971890932 /nfs/dbraw/zinc/89/09/32/971890932.db2.gz VABWQHAPOCFUCQ-OALUTQOASA-N 1 1 421.541 3.755 20 30 HHEDMO C=CCc1ccc(OCC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000303799919 972036243 /nfs/dbraw/zinc/03/62/43/972036243.db2.gz GPDHTMBQHRONQX-HXUWFJFHSA-N 1 1 408.542 3.926 20 30 HHEDMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC1(c2ccc(Br)cc2)CC1 ZINC000303800726 972036961 /nfs/dbraw/zinc/03/69/61/972036961.db2.gz ATYOKSLNEVINAD-LJQANCHMSA-N 1 1 415.331 3.724 20 30 HHEDMO Cc1cc(C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC(C)C)nc(N2CCCCC2)n1 ZINC000537621899 1013168866 /nfs/dbraw/zinc/16/88/66/1013168866.db2.gz KUGCURLAABXFEX-UHFFFAOYSA-N 1 1 417.561 3.953 20 30 HHEDMO Cc1cc(C[N@H+](Cc2cnc3ccc(C#N)cn23)CC(C)C)nc(N2CCCCC2)n1 ZINC000537621899 1013168879 /nfs/dbraw/zinc/16/88/79/1013168879.db2.gz KUGCURLAABXFEX-UHFFFAOYSA-N 1 1 417.561 3.953 20 30 HHEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000303882029 972422188 /nfs/dbraw/zinc/42/21/88/972422188.db2.gz RESRDSDRHUYRAL-UXHICEINSA-N 1 1 409.534 3.598 20 30 HHEDMO CC[N@H+]1CCC[C@@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000553237722 1013203804 /nfs/dbraw/zinc/20/38/04/1013203804.db2.gz FVGSZZWQJUXCJS-KRWDZBQOSA-N 1 1 402.970 3.666 20 30 HHEDMO N#Cc1ccc(C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C2CC2)cc1 ZINC000542247014 1013206000 /nfs/dbraw/zinc/20/60/00/1013206000.db2.gz DVLXEGPPNODTQN-IBGZPJMESA-N 1 1 401.304 3.725 20 30 HHEDMO N#Cc1ccccc1COc1cccc(C[NH+]2CCN(c3ncccc3F)CC2)c1 ZINC000537647864 1013209357 /nfs/dbraw/zinc/20/93/57/1013209357.db2.gz VPGAWECYLFJTOJ-UHFFFAOYSA-N 1 1 402.473 3.994 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000537707097 1013272350 /nfs/dbraw/zinc/27/23/50/1013272350.db2.gz XINFRBAYLDVFLD-SFHVURJKSA-N 1 1 417.488 3.777 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000537707097 1013272356 /nfs/dbraw/zinc/27/23/56/1013272356.db2.gz XINFRBAYLDVFLD-SFHVURJKSA-N 1 1 417.488 3.777 20 30 HHEDMO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000542418367 1013369964 /nfs/dbraw/zinc/36/99/64/1013369964.db2.gz NUQSQFFGIHNPLG-YADARESESA-N 1 1 418.541 3.522 20 30 HHEDMO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000542418367 1013369975 /nfs/dbraw/zinc/36/99/75/1013369975.db2.gz NUQSQFFGIHNPLG-YADARESESA-N 1 1 418.541 3.522 20 30 HHEDMO Cc1oc(NC(=O)[C@@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000537841993 1013404170 /nfs/dbraw/zinc/40/41/70/1013404170.db2.gz QVACUKWARJOMFM-QGZVFWFLSA-N 1 1 409.534 3.729 20 30 HHEDMO CN(C(=O)CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C1(C#N)CCCCC1 ZINC000022845260 963727600 /nfs/dbraw/zinc/72/76/00/963727600.db2.gz OJQDDTVSLJOHNP-UHFFFAOYSA-N 1 1 402.970 3.533 20 30 HHEDMO CN(C(=O)CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C1(C#N)CCCCC1 ZINC000022845260 963727603 /nfs/dbraw/zinc/72/76/03/963727603.db2.gz OJQDDTVSLJOHNP-UHFFFAOYSA-N 1 1 402.970 3.533 20 30 HHEDMO CN(C(=O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)C1(C#N)CCCCC1 ZINC000022845260 963727610 /nfs/dbraw/zinc/72/76/10/963727610.db2.gz OJQDDTVSLJOHNP-UHFFFAOYSA-N 1 1 402.970 3.533 20 30 HHEDMO CN(C(=O)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)C1(C#N)CCCCC1 ZINC000022845260 963727614 /nfs/dbraw/zinc/72/76/14/963727614.db2.gz OJQDDTVSLJOHNP-UHFFFAOYSA-N 1 1 402.970 3.533 20 30 HHEDMO CCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OCC ZINC000023752858 963884815 /nfs/dbraw/zinc/88/48/15/963884815.db2.gz FROWCJXMCBGNIE-UHFFFAOYSA-N 1 1 407.514 3.704 20 30 HHEDMO CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1OCC ZINC000023752858 963884819 /nfs/dbraw/zinc/88/48/19/963884819.db2.gz FROWCJXMCBGNIE-UHFFFAOYSA-N 1 1 407.514 3.704 20 30 HHEDMO N#Cc1ccc(OCC[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000023824297 963894064 /nfs/dbraw/zinc/89/40/64/963894064.db2.gz DLSQLWHDCBXQTO-UHFFFAOYSA-N 1 1 420.391 3.686 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000025680501 964332827 /nfs/dbraw/zinc/33/28/27/964332827.db2.gz GWIVIOOTTGPNSN-UHFFFAOYSA-N 1 1 405.498 3.827 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000025680501 964332835 /nfs/dbraw/zinc/33/28/35/964332835.db2.gz GWIVIOOTTGPNSN-UHFFFAOYSA-N 1 1 405.498 3.827 20 30 HHEDMO N#Cc1ccc(CN2CCC[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)cc1 ZINC000025934221 964395539 /nfs/dbraw/zinc/39/55/39/964395539.db2.gz QVZYGRIVNUWGRS-UHFFFAOYSA-N 1 1 414.912 3.887 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)cc1 ZINC000025934221 964395550 /nfs/dbraw/zinc/39/55/50/964395550.db2.gz QVZYGRIVNUWGRS-UHFFFAOYSA-N 1 1 414.912 3.887 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)cc1 ZINC000025934221 964395567 /nfs/dbraw/zinc/39/55/67/964395567.db2.gz QVZYGRIVNUWGRS-UHFFFAOYSA-N 1 1 414.912 3.887 20 30 HHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccc(Br)cc2)c(C#N)c1C ZINC000026353739 964535548 /nfs/dbraw/zinc/53/55/48/964535548.db2.gz WCHBRFCMWPGPCP-ZDUSSCGKSA-N 1 1 420.307 3.868 20 30 HHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccc(Br)cc2)c(C#N)c1C ZINC000026353739 964535559 /nfs/dbraw/zinc/53/55/59/964535559.db2.gz WCHBRFCMWPGPCP-ZDUSSCGKSA-N 1 1 420.307 3.868 20 30 HHEDMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000051852227 964722019 /nfs/dbraw/zinc/72/20/19/964722019.db2.gz YTCZQSSBDCZNOD-UHFFFAOYSA-N 1 1 412.921 3.761 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000052077200 964799713 /nfs/dbraw/zinc/79/97/13/964799713.db2.gz RANNPSDXMBWZBZ-UHFFFAOYSA-N 1 1 412.534 3.989 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000052077200 964799719 /nfs/dbraw/zinc/79/97/19/964799719.db2.gz RANNPSDXMBWZBZ-UHFFFAOYSA-N 1 1 412.534 3.989 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCN(c3ccccc3C#N)CC1)CCC2 ZINC000052801296 964988703 /nfs/dbraw/zinc/98/87/03/964988703.db2.gz BIMVMLWYMLRDRN-UHFFFAOYSA-N 1 1 419.554 3.521 20 30 HHEDMO CCc1cccc(CC)c1NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028960546 965226216 /nfs/dbraw/zinc/22/62/16/965226216.db2.gz UFYBPMBNLNDBKD-UHFFFAOYSA-N 1 1 404.558 3.829 20 30 HHEDMO COc1ccc(C([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccc(OC)cc2)cc1 ZINC000029645180 965443817 /nfs/dbraw/zinc/44/38/17/965443817.db2.gz BINHTMQDDGWVOU-UHFFFAOYSA-N 1 1 407.514 3.725 20 30 HHEDMO COc1ccc(C([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000029645052 965443942 /nfs/dbraw/zinc/44/39/42/965443942.db2.gz WWKOYJFMTDXOHN-UHFFFAOYSA-N 1 1 401.466 3.893 20 30 HHEDMO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340363 965481934 /nfs/dbraw/zinc/48/19/34/965481934.db2.gz XPZVUBRTJKEUMB-SFHVURJKSA-N 1 1 407.514 3.761 20 30 HHEDMO C[C@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054454799 965524497 /nfs/dbraw/zinc/52/44/97/965524497.db2.gz ZXGSTPWXGHKZCL-SFHVURJKSA-N 1 1 410.949 3.597 20 30 HHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054537610 965557567 /nfs/dbraw/zinc/55/75/67/965557567.db2.gz UTOMNFDWHNAXCF-UHFFFAOYSA-N 1 1 417.513 3.957 20 30 HHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054537610 965557577 /nfs/dbraw/zinc/55/75/77/965557577.db2.gz UTOMNFDWHNAXCF-UHFFFAOYSA-N 1 1 417.513 3.957 20 30 HHEDMO CCOc1ccc(OCCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029983925 965582599 /nfs/dbraw/zinc/58/25/99/965582599.db2.gz VPIVOYHZZPRGOV-UHFFFAOYSA-N 1 1 421.541 3.850 20 30 HHEDMO CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469372 966158887 /nfs/dbraw/zinc/15/88/87/966158887.db2.gz UEUQBKVHGOEKFO-HXUWFJFHSA-N 1 1 404.558 3.853 20 30 HHEDMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000060893290 966320425 /nfs/dbraw/zinc/32/04/25/966320425.db2.gz WYLQAHMSTIIWKA-GOSISDBHSA-N 1 1 404.514 3.694 20 30 HHEDMO C=CCc1ccc(OCC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000062231301 966628561 /nfs/dbraw/zinc/62/85/61/966628561.db2.gz PWIHCRAYRCRXRG-JOCHJYFZSA-N 1 1 408.542 3.831 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1C ZINC000538118323 1013678865 /nfs/dbraw/zinc/67/88/65/1013678865.db2.gz BSEASWPKGPUECN-QFIPXVFZSA-N 1 1 418.541 3.503 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000063789541 966958715 /nfs/dbraw/zinc/95/87/15/966958715.db2.gz HQYAUJFWNQKCPH-UHFFFAOYSA-N 1 1 421.476 3.550 20 30 HHEDMO COc1cc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000043404641 966966003 /nfs/dbraw/zinc/96/60/03/966966003.db2.gz DNHGAJAFFIVQNX-UHFFFAOYSA-N 1 1 408.502 3.624 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnn(-c4ccccc4Cl)c3)CC2)cc1 ZINC000064487130 967210693 /nfs/dbraw/zinc/21/06/93/967210693.db2.gz PEAVUQZAHATNFV-UHFFFAOYSA-N 1 1 419.916 3.745 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnn(-c4ccccc4Cl)c3)CC2)cc1 ZINC000064487130 967210704 /nfs/dbraw/zinc/21/07/04/967210704.db2.gz PEAVUQZAHATNFV-UHFFFAOYSA-N 1 1 419.916 3.745 20 30 HHEDMO COC(=O)CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC(C)C ZINC000064558993 967234318 /nfs/dbraw/zinc/23/43/18/967234318.db2.gz RTIDKVNPIUYKAZ-UHFFFAOYSA-N 1 1 402.539 3.551 20 30 HHEDMO CC(C)Oc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000045641353 967524175 /nfs/dbraw/zinc/52/41/75/967524175.db2.gz SLXDMWHBSCEHNT-UHFFFAOYSA-N 1 1 406.530 3.763 20 30 HHEDMO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 ZINC000046528013 967841340 /nfs/dbraw/zinc/84/13/40/967841340.db2.gz RUWWCSAJKMRCSL-DEOSSOPVSA-N 1 1 407.514 3.665 20 30 HHEDMO CC(C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 ZINC000046528013 967841348 /nfs/dbraw/zinc/84/13/48/967841348.db2.gz RUWWCSAJKMRCSL-DEOSSOPVSA-N 1 1 407.514 3.665 20 30 HHEDMO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000047121276 968058242 /nfs/dbraw/zinc/05/82/42/968058242.db2.gz JJVOPMJWCCTYNS-SFHVURJKSA-N 1 1 407.514 3.636 20 30 HHEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](COc2ccccc2)c2ccccc2)c1 ZINC000538217732 1013769206 /nfs/dbraw/zinc/76/92/06/1013769206.db2.gz HWFKXYIQKHCAAA-QHCPKHFHSA-N 1 1 406.507 3.742 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911335 968360006 /nfs/dbraw/zinc/36/00/06/968360006.db2.gz GSSRYKDCUVFYIM-DOTOQJQBSA-N 1 1 410.326 3.845 20 30 HHEDMO COc1ccccc1[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000047914195 968360905 /nfs/dbraw/zinc/36/09/05/968360905.db2.gz BFQJZPOYYHZOPY-LJQANCHMSA-N 1 1 419.447 3.668 20 30 HHEDMO CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000538251018 1013795254 /nfs/dbraw/zinc/79/52/54/1013795254.db2.gz BVCZPWJZEMDEBR-UHFFFAOYSA-N 1 1 423.565 3.725 20 30 HHEDMO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000538261067 1013803363 /nfs/dbraw/zinc/80/33/63/1013803363.db2.gz MZPROEVAXWWJKX-QFBILLFUSA-N 1 1 416.978 3.803 20 30 HHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000538261067 1013803372 /nfs/dbraw/zinc/80/33/72/1013803372.db2.gz MZPROEVAXWWJKX-QFBILLFUSA-N 1 1 416.978 3.803 20 30 HHEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000538262486 1013803730 /nfs/dbraw/zinc/80/37/30/1013803730.db2.gz BILRRJFHGSSXIY-PKTZIBPZSA-N 1 1 424.495 3.511 20 30 HHEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000538262486 1013803742 /nfs/dbraw/zinc/80/37/42/1013803742.db2.gz BILRRJFHGSSXIY-PKTZIBPZSA-N 1 1 424.495 3.511 20 30 HHEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000538262480 1013804017 /nfs/dbraw/zinc/80/40/17/1013804017.db2.gz BILRRJFHGSSXIY-DHIUTWEWSA-N 1 1 424.495 3.511 20 30 HHEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000538262480 1013804026 /nfs/dbraw/zinc/80/40/26/1013804026.db2.gz BILRRJFHGSSXIY-DHIUTWEWSA-N 1 1 424.495 3.511 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000065965135 968741764 /nfs/dbraw/zinc/74/17/64/968741764.db2.gz YJLBPOWLVYBYHK-UHFFFAOYSA-N 1 1 424.589 3.711 20 30 HHEDMO CCOc1cccc([C@@H]2C[C@@H]2NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000538304551 1013838172 /nfs/dbraw/zinc/83/81/72/1013838172.db2.gz IGMKGDXIFBTWSJ-ZEQRLZLVSA-N 1 1 418.541 3.730 20 30 HHEDMO C=CCOc1cccc(NC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000554180002 1013839678 /nfs/dbraw/zinc/83/96/78/1013839678.db2.gz UOISEFJYMUVHSS-HSZRJFAPSA-N 1 1 420.557 3.675 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000554181290 1013840610 /nfs/dbraw/zinc/84/06/10/1013840610.db2.gz SOSAENIAGOUAKS-LJQANCHMSA-N 1 1 407.514 3.842 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000554181290 1013840618 /nfs/dbraw/zinc/84/06/18/1013840618.db2.gz SOSAENIAGOUAKS-LJQANCHMSA-N 1 1 407.514 3.842 20 30 HHEDMO C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000097061470 969086486 /nfs/dbraw/zinc/08/64/86/969086486.db2.gz WOFDOHFJPMKRBX-UTKZUKDTSA-N 1 1 420.582 3.703 20 30 HHEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000109307124 969495744 /nfs/dbraw/zinc/49/57/44/969495744.db2.gz YHYJRDXROXRJLT-QPPBQGQZSA-N 1 1 405.542 3.990 20 30 HHEDMO COc1cc(C#N)ccc1OC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000110124252 969626620 /nfs/dbraw/zinc/62/66/20/969626620.db2.gz OHAZITIXBDLNMZ-FQEVSTJZSA-N 1 1 404.388 3.927 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000111178347 969795223 /nfs/dbraw/zinc/79/52/23/969795223.db2.gz QXIVUIRUFZUBMU-UHFFFAOYSA-N 1 1 405.477 3.981 20 30 HHEDMO CC(C)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000117174565 969940297 /nfs/dbraw/zinc/94/02/97/969940297.db2.gz FSTHMFSRXLOEHK-QHCPKHFHSA-N 1 1 407.583 3.991 20 30 HHEDMO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140064943 970060955 /nfs/dbraw/zinc/06/09/55/970060955.db2.gz HSEVAISLHRLQPG-QGZVFWFLSA-N 1 1 408.527 3.954 20 30 HHEDMO C#CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@H]1CCc2ccccc21 ZINC000255957103 970609550 /nfs/dbraw/zinc/60/95/50/970609550.db2.gz MHUHQEKSLDVTJR-GOTSBHOMSA-N 1 1 418.537 3.990 20 30 HHEDMO C#CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@H]1CCc2ccccc21 ZINC000255957103 970609554 /nfs/dbraw/zinc/60/95/54/970609554.db2.gz MHUHQEKSLDVTJR-GOTSBHOMSA-N 1 1 418.537 3.990 20 30 HHEDMO N#Cc1ccc(Br)cc1N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000404215816 972882967 /nfs/dbraw/zinc/88/29/67/972882967.db2.gz XJBDIFWHOCQZFH-SFTDATJTSA-N 1 1 412.331 3.800 20 30 HHEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)C[C@@H](C)O1 ZINC000409711587 973184242 /nfs/dbraw/zinc/18/42/42/973184242.db2.gz LODLWPFYHABNAI-QZTJIDSGSA-N 1 1 415.497 3.605 20 30 HHEDMO N#Cc1ccsc1N1CC[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)C1=O ZINC000409846162 973314481 /nfs/dbraw/zinc/31/44/81/973314481.db2.gz YCDXKAOVBUVFKU-GJZGRUSLSA-N 1 1 418.316 3.601 20 30 HHEDMO CCC[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@H+]1Cc1ccccc1 ZINC000409897753 973360335 /nfs/dbraw/zinc/36/03/35/973360335.db2.gz CHRFEPLAXYDDRA-HSZRJFAPSA-N 1 1 413.525 3.871 20 30 HHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000410375211 973973393 /nfs/dbraw/zinc/97/33/93/973973393.db2.gz PBOHPFRYHAQVTH-UHFFFAOYSA-N 1 1 423.536 3.569 20 30 HHEDMO N#CCCN(Cc1ccco1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000426105954 974229960 /nfs/dbraw/zinc/22/99/60/974229960.db2.gz LQBYHPULUNPMRI-UHFFFAOYSA-N 1 1 421.501 3.514 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000426111175 974234098 /nfs/dbraw/zinc/23/40/98/974234098.db2.gz HUTAKLDZBNRQDY-NZQKXSOJSA-N 1 1 409.530 3.646 20 30 HHEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000426512769 974498317 /nfs/dbraw/zinc/49/83/17/974498317.db2.gz DAVKNSPZYODCCB-GOSISDBHSA-N 1 1 420.513 3.526 20 30 HHEDMO COc1cccc([C@H](C)[NH+]2CCN(CC(=O)Nc3sc(C)c(C)c3C#N)CC2)c1 ZINC000427001394 974813434 /nfs/dbraw/zinc/81/34/34/974813434.db2.gz SJGDQXZMOZCUOX-INIZCTEOSA-N 1 1 412.559 3.563 20 30 HHEDMO CC[N@@H+](CCNC(=O)c1cc(C2CC2)nc(SC)c1C#N)CCC(F)(F)F ZINC000427439240 975118151 /nfs/dbraw/zinc/11/81/51/975118151.db2.gz OOKSIHZRTBDKOJ-UHFFFAOYSA-N 1 1 400.470 3.557 20 30 HHEDMO N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)cc2)nc1 ZINC000428531246 975825401 /nfs/dbraw/zinc/82/54/01/975825401.db2.gz FKEDKPSXSOZJCG-NRFANRHFSA-N 1 1 414.465 3.564 20 30 HHEDMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428794465 976070461 /nfs/dbraw/zinc/07/04/61/976070461.db2.gz RYFVOUYRZNYANZ-SFHVURJKSA-N 1 1 416.481 3.640 20 30 HHEDMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428794465 976070473 /nfs/dbraw/zinc/07/04/73/976070473.db2.gz RYFVOUYRZNYANZ-SFHVURJKSA-N 1 1 416.481 3.640 20 30 HHEDMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc2ccccc2c1 ZINC000428817484 976096731 /nfs/dbraw/zinc/09/67/31/976096731.db2.gz ZPICNVKLVOBLLD-BSRJHKFKSA-N 1 1 414.509 3.825 20 30 HHEDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc2ccccc2c1 ZINC000428817484 976096742 /nfs/dbraw/zinc/09/67/42/976096742.db2.gz ZPICNVKLVOBLLD-BSRJHKFKSA-N 1 1 414.509 3.825 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429042738 976327401 /nfs/dbraw/zinc/32/74/01/976327401.db2.gz OHQGICPXDYQWPT-QHCPKHFHSA-N 1 1 420.582 3.873 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429042738 976327415 /nfs/dbraw/zinc/32/74/15/976327415.db2.gz OHQGICPXDYQWPT-QHCPKHFHSA-N 1 1 420.582 3.873 20 30 HHEDMO C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000429094215 976378879 /nfs/dbraw/zinc/37/88/79/976378879.db2.gz PLRWZNYEPAWYPO-AZUAARDMSA-N 1 1 405.546 3.847 20 30 HHEDMO C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000429094219 976379137 /nfs/dbraw/zinc/37/91/37/976379137.db2.gz PLRWZNYEPAWYPO-QUCCMNQESA-N 1 1 405.546 3.847 20 30 HHEDMO CC(C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000429234713 976526462 /nfs/dbraw/zinc/52/64/62/976526462.db2.gz HEZXSTKTBSXJFX-UHFFFAOYSA-N 1 1 419.403 3.606 20 30 HHEDMO CSC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000429290864 976571242 /nfs/dbraw/zinc/57/12/42/976571242.db2.gz ZYNCSTFLYYJNHP-KRWDZBQOSA-N 1 1 400.548 3.631 20 30 HHEDMO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000429290864 976571254 /nfs/dbraw/zinc/57/12/54/976571254.db2.gz ZYNCSTFLYYJNHP-KRWDZBQOSA-N 1 1 400.548 3.631 20 30 HHEDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000429395040 976669574 /nfs/dbraw/zinc/66/95/74/976669574.db2.gz AYFOSXMGVXPVHS-ILBGXUMGSA-N 1 1 412.622 3.706 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Br)c3F)CC2)cc1 ZINC000429721267 977011067 /nfs/dbraw/zinc/01/10/67/977011067.db2.gz GVJSKDRGUSXKSY-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Br)c3F)CC2)cc1 ZINC000429721267 977011076 /nfs/dbraw/zinc/01/10/76/977011076.db2.gz GVJSKDRGUSXKSY-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000429722720 977013513 /nfs/dbraw/zinc/01/35/13/977013513.db2.gz LTPCCPIQUYTVSP-UHFFFAOYSA-N 1 1 406.530 3.797 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OCC(F)(F)F ZINC000430167115 977362193 /nfs/dbraw/zinc/36/21/93/977362193.db2.gz GGNRASLNMLYWDB-INIZCTEOSA-N 1 1 407.392 3.556 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1ccncc1 ZINC000430175238 977369958 /nfs/dbraw/zinc/36/99/58/977369958.db2.gz BVCPQRFBDLEJLU-OAQYLSRUSA-N 1 1 416.481 3.589 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([N@H+](CCc3ccccn3)Cc3cccnc3)C2=O)cc1 ZINC000430336598 977484989 /nfs/dbraw/zinc/48/49/89/977484989.db2.gz KBCVCKYXXURHQJ-DEOSSOPVSA-N 1 1 411.509 3.589 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+](CCc3ccccn3)Cc3cccnc3)C2=O)cc1 ZINC000430336598 977484991 /nfs/dbraw/zinc/48/49/91/977484991.db2.gz KBCVCKYXXURHQJ-DEOSSOPVSA-N 1 1 411.509 3.589 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430647227 977666804 /nfs/dbraw/zinc/66/68/04/977666804.db2.gz FFCQCLXUKZIXNI-GCJKJVERSA-N 1 1 407.562 3.516 20 30 HHEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430728405 977714774 /nfs/dbraw/zinc/71/47/74/977714774.db2.gz CJACAUPAAVGOKB-CXAGYDPISA-N 1 1 422.348 3.792 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430759101 977735396 /nfs/dbraw/zinc/73/53/96/977735396.db2.gz CLSSDFJUOVGLIG-UHFFFAOYSA-N 1 1 418.607 3.703 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000430759101 977735398 /nfs/dbraw/zinc/73/53/98/977735398.db2.gz CLSSDFJUOVGLIG-UHFFFAOYSA-N 1 1 418.607 3.703 20 30 HHEDMO O=C(c1cccc(C(F)(F)F)c1F)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000430762244 977738488 /nfs/dbraw/zinc/73/84/88/977738488.db2.gz LJKFOLMTSARZIZ-UHFFFAOYSA-N 1 1 416.337 3.571 20 30 HHEDMO C=CCN1C(=O)N(Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431036167 977969320 /nfs/dbraw/zinc/96/93/20/977969320.db2.gz VOPICUVPYZAHHQ-QFIPXVFZSA-N 1 1 418.472 3.881 20 30 HHEDMO N#CCCC[C@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000431771475 978499444 /nfs/dbraw/zinc/49/94/44/978499444.db2.gz WGSJIGOONZZHLO-QHCPKHFHSA-N 1 1 406.530 3.753 20 30 HHEDMO C[C@@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000431810899 978531035 /nfs/dbraw/zinc/53/10/35/978531035.db2.gz ICGFVKLHJDZAIT-XUZZJYLKSA-N 1 1 419.573 3.931 20 30 HHEDMO CN1CC[NH+](Cc2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000431817896 978535246 /nfs/dbraw/zinc/53/52/46/978535246.db2.gz LCPQXBGMLOLWJY-XMMPIXPASA-N 1 1 419.573 3.668 20 30 HHEDMO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccccc1Cl ZINC000431842426 978548125 /nfs/dbraw/zinc/54/81/25/978548125.db2.gz GBMJLHYBRBTOCD-FQEVSTJZSA-N 1 1 412.921 3.658 20 30 HHEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000431983785 978631209 /nfs/dbraw/zinc/63/12/09/978631209.db2.gz WXSKMTMMYJOUNY-HDICACEKSA-N 1 1 418.541 3.600 20 30 HHEDMO COC(=O)C1([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCC1 ZINC000432010214 978643546 /nfs/dbraw/zinc/64/35/46/978643546.db2.gz ARWWBPWKHNXFTQ-UHFFFAOYSA-N 1 1 403.548 3.635 20 30 HHEDMO Cc1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000432397527 978795793 /nfs/dbraw/zinc/79/57/93/978795793.db2.gz XYANYEGDAJQBSU-UHFFFAOYSA-N 1 1 419.529 3.609 20 30 HHEDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)C1 ZINC000432918306 979011097 /nfs/dbraw/zinc/01/10/97/979011097.db2.gz OHQPNBADDVRSQB-XMMPIXPASA-N 1 1 404.514 3.891 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433046051 979051140 /nfs/dbraw/zinc/05/11/40/979051140.db2.gz SQCITUQPBCTICL-LJQANCHMSA-N 1 1 423.582 3.903 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433057856 979054241 /nfs/dbraw/zinc/05/42/41/979054241.db2.gz IOUUIDFSCGIVEM-AEFFLSMTSA-N 1 1 411.571 3.751 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433057856 979054246 /nfs/dbraw/zinc/05/42/46/979054246.db2.gz IOUUIDFSCGIVEM-AEFFLSMTSA-N 1 1 411.571 3.751 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126832 979087118 /nfs/dbraw/zinc/08/71/18/979087118.db2.gz DZPMRNOSVWURNZ-NRFANRHFSA-N 1 1 408.590 3.706 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126833 979087519 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20 30 HHEDMO C=CCC[C@H](NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000434964307 980535779 /nfs/dbraw/zinc/53/57/79/980535779.db2.gz WGBPNQPTYGGTSN-QHCPKHFHSA-N 1 1 420.557 3.581 20 30 HHEDMO N#Cc1ccsc1N1CC[C@@H](N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000435025001 980579915 /nfs/dbraw/zinc/57/99/15/980579915.db2.gz GWDCNATXCQTILQ-ZJSXRUAMSA-N 1 1 420.582 3.713 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000435057975 980602352 /nfs/dbraw/zinc/60/23/52/980602352.db2.gz RDFLQJOLFUHIHI-FQEVSTJZSA-N 1 1 423.517 3.819 20 30 HHEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(OC)c(OC)c1 ZINC000435131279 980662223 /nfs/dbraw/zinc/66/22/23/980662223.db2.gz COCZSBDZUKGWFR-UHFFFAOYSA-N 1 1 405.502 3.898 20 30 HHEDMO C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000435132803 980663936 /nfs/dbraw/zinc/66/39/36/980663936.db2.gz ZVPNFELZDXNTDX-NRFANRHFSA-N 1 1 414.557 3.955 20 30 HHEDMO N#CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435132555 980664020 /nfs/dbraw/zinc/66/40/20/980664020.db2.gz KEEKCVYRRFZRKM-FQEVSTJZSA-N 1 1 414.513 3.709 20 30 HHEDMO N#Cc1cc(F)ccc1NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000435160967 980689416 /nfs/dbraw/zinc/68/94/16/980689416.db2.gz OLPXKLHKURCXPS-UHFFFAOYSA-N 1 1 407.449 3.628 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@H](C)C1 ZINC000435544980 980932833 /nfs/dbraw/zinc/93/28/33/980932833.db2.gz HKADUTLPYKIKTL-YLJYHZDGSA-N 1 1 402.539 3.604 20 30 HHEDMO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000435598270 980955459 /nfs/dbraw/zinc/95/54/59/980955459.db2.gz QEXBRBCAGXARLP-RHSMWYFYSA-N 1 1 418.563 3.631 20 30 HHEDMO COC(=O)[C@@H](C)C[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C1CC1 ZINC000436025425 981164356 /nfs/dbraw/zinc/16/43/56/981164356.db2.gz HJICDJQJAWOQIN-HNNXBMFYSA-N 1 1 414.550 3.694 20 30 HHEDMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C1CC1 ZINC000436025425 981164357 /nfs/dbraw/zinc/16/43/57/981164357.db2.gz HJICDJQJAWOQIN-HNNXBMFYSA-N 1 1 414.550 3.694 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3O)CC2)cc1 ZINC000436765619 981553052 /nfs/dbraw/zinc/55/30/52/981553052.db2.gz QGQBDOWOSAWMHC-UHFFFAOYSA-N 1 1 403.404 3.631 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3O)CC2)cc1 ZINC000436765619 981553054 /nfs/dbraw/zinc/55/30/54/981553054.db2.gz QGQBDOWOSAWMHC-UHFFFAOYSA-N 1 1 403.404 3.631 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c(OC(F)F)c1 ZINC000437399878 982044206 /nfs/dbraw/zinc/04/42/06/982044206.db2.gz FELXGJCHQDVCLH-UHFFFAOYSA-N 1 1 411.452 3.961 20 30 HHEDMO CCn1c(Cc2ccccc2C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460319334 982097317 /nfs/dbraw/zinc/09/73/17/982097317.db2.gz UNZSEEABTIGCDM-UHFFFAOYSA-N 1 1 414.557 3.781 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000460371154 982147837 /nfs/dbraw/zinc/14/78/37/982147837.db2.gz AACMVNVAOXZHKK-UHFFFAOYSA-N 1 1 419.577 3.529 20 30 HHEDMO COc1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CCCCC2)[NH+]2CCCCC2)cc1 ZINC000460469942 982263616 /nfs/dbraw/zinc/26/36/16/982263616.db2.gz MJFUCMFNCWYAKX-OAQYLSRUSA-N 1 1 419.591 3.616 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 ZINC000460480001 982272796 /nfs/dbraw/zinc/27/27/96/982272796.db2.gz LBPRSBJOINCHLA-GOSISDBHSA-N 1 1 417.513 3.972 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460801733 982554766 /nfs/dbraw/zinc/55/47/66/982554766.db2.gz YJMWDNGYLCITRW-OALUTQOASA-N 1 1 413.566 3.751 20 30 HHEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460805720 982558885 /nfs/dbraw/zinc/55/88/85/982558885.db2.gz NFTCSNWESUOETO-HAGHYFMRSA-N 1 1 403.615 3.939 20 30 HHEDMO N#Cc1cccc(OC2CCN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)c1 ZINC000438163719 982625313 /nfs/dbraw/zinc/62/53/13/982625313.db2.gz VSHTZCGHQNSLQX-OAQYLSRUSA-N 1 1 410.562 3.908 20 30 HHEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000460951442 982684992 /nfs/dbraw/zinc/68/49/92/982684992.db2.gz KOJWTTKPUBYGJS-UHFFFAOYSA-N 1 1 408.594 3.932 20 30 HHEDMO C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460953728 982687253 /nfs/dbraw/zinc/68/72/53/982687253.db2.gz UCVFBNNBZIXNDQ-JOCHJYFZSA-N 1 1 423.561 3.821 20 30 HHEDMO N#Cc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1C(F)(F)F ZINC000438643437 982962466 /nfs/dbraw/zinc/96/24/66/982962466.db2.gz TWZUXXJKHDDKPJ-UHFFFAOYSA-N 1 1 410.440 3.734 20 30 HHEDMO CN1CC[N@@H+](CCCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000438836027 983105143 /nfs/dbraw/zinc/10/51/43/983105143.db2.gz DRHUHHSERAPGBY-RPWUZVMVSA-N 1 1 419.573 3.709 20 30 HHEDMO C[N@@H+]1CCN(CCCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000438836027 983105149 /nfs/dbraw/zinc/10/51/49/983105149.db2.gz DRHUHHSERAPGBY-RPWUZVMVSA-N 1 1 419.573 3.709 20 30 HHEDMO C[N@H+]1CCN(CCCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000438836027 983105154 /nfs/dbraw/zinc/10/51/54/983105154.db2.gz DRHUHHSERAPGBY-RPWUZVMVSA-N 1 1 419.573 3.709 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000438843311 983110728 /nfs/dbraw/zinc/11/07/28/983110728.db2.gz SEJMEKYXJFCQTE-SBUREZEXSA-N 1 1 423.536 3.843 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000438843311 983110732 /nfs/dbraw/zinc/11/07/32/983110732.db2.gz SEJMEKYXJFCQTE-SBUREZEXSA-N 1 1 423.536 3.843 20 30 HHEDMO N#Cc1cc(F)cc(C2(C(=O)N3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)CC2)c1 ZINC000461453962 983119881 /nfs/dbraw/zinc/11/98/81/983119881.db2.gz ZHSCQTZZTXZVIF-NHCUHLMSSA-N 1 1 403.501 3.709 20 30 HHEDMO N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)on2)c1 ZINC000461454942 983121274 /nfs/dbraw/zinc/12/12/74/983121274.db2.gz JAGURBSQIFGXLP-VXKWHMMOSA-N 1 1 412.493 3.807 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@@H](OCc3ccncc3)C1)CCCC2 ZINC000439007672 983206417 /nfs/dbraw/zinc/20/64/17/983206417.db2.gz VBWCVDRLARTUPO-QGZVFWFLSA-N 1 1 410.543 3.513 20 30 HHEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)c1 ZINC000439011936 983208868 /nfs/dbraw/zinc/20/88/68/983208868.db2.gz VQWLRMXLQKKHHA-UHFFFAOYSA-N 1 1 403.461 3.734 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000439239176 983325408 /nfs/dbraw/zinc/32/54/08/983325408.db2.gz UBESOELXCGZNHE-GOSISDBHSA-N 1 1 417.962 3.744 20 30 HHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000439740591 983521527 /nfs/dbraw/zinc/52/15/27/983521527.db2.gz DETYISYNEKRMSP-UHFFFAOYSA-N 1 1 415.921 3.564 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000439776282 983534013 /nfs/dbraw/zinc/53/40/13/983534013.db2.gz SBFDNHHABAFXLB-NTKDMRAZSA-N 1 1 404.558 3.953 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000439776282 983534016 /nfs/dbraw/zinc/53/40/16/983534016.db2.gz SBFDNHHABAFXLB-NTKDMRAZSA-N 1 1 404.558 3.953 20 30 HHEDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000439887807 983570948 /nfs/dbraw/zinc/57/09/48/983570948.db2.gz INMGXQNHFSEJLA-UHFFFAOYSA-N 1 1 423.473 3.605 20 30 HHEDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000439887807 983570950 /nfs/dbraw/zinc/57/09/50/983570950.db2.gz INMGXQNHFSEJLA-UHFFFAOYSA-N 1 1 423.473 3.605 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000440048986 983625135 /nfs/dbraw/zinc/62/51/35/983625135.db2.gz WDHSWJZWXHOBKC-DENIHFKCSA-N 1 1 421.541 3.701 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440931940 983986339 /nfs/dbraw/zinc/98/63/39/983986339.db2.gz XSQQIQPYKNHLMG-IBGZPJMESA-N 1 1 416.481 3.527 20 30 HHEDMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC(=O)NCC#N ZINC000440953290 983995382 /nfs/dbraw/zinc/99/53/82/983995382.db2.gz BWHBWJBQNKCKOV-LJQANCHMSA-N 1 1 405.420 3.787 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441401829 984232808 /nfs/dbraw/zinc/23/28/08/984232808.db2.gz GRRFRIIINIQKER-DBXWQHBBSA-N 1 1 412.603 3.968 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 ZINC000441646516 984372429 /nfs/dbraw/zinc/37/24/29/984372429.db2.gz KUFUFBNXMWWOTQ-ZDUSSCGKSA-N 1 1 407.861 3.522 20 30 HHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000442078179 984625562 /nfs/dbraw/zinc/62/55/62/984625562.db2.gz KTVWRBQPZOOSTL-UHFFFAOYSA-N 1 1 420.513 3.559 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C[C@H]1C ZINC000461675919 984692997 /nfs/dbraw/zinc/69/29/97/984692997.db2.gz ZYFYPYROJUTNSU-BVYCBKJFSA-N 1 1 422.577 3.695 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C[C@H]1C ZINC000461675920 984693132 /nfs/dbraw/zinc/69/31/32/984693132.db2.gz ZYFYPYROJUTNSU-COPCDDAFSA-N 1 1 422.577 3.695 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000461959039 984950581 /nfs/dbraw/zinc/95/05/81/984950581.db2.gz OOXBJXOYZWWSCI-INIZCTEOSA-N 1 1 401.470 3.586 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000442633990 985109539 /nfs/dbraw/zinc/10/95/39/985109539.db2.gz LODXQZQIZAWKJN-HXUWFJFHSA-N 1 1 421.541 3.703 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000442663362 985138355 /nfs/dbraw/zinc/13/83/55/985138355.db2.gz JVXQWUHRLAIPCS-SFHVURJKSA-N 1 1 424.932 3.521 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000462190517 985172843 /nfs/dbraw/zinc/17/28/43/985172843.db2.gz LXHYKBOFEZWFQB-FDDCHVKYSA-N 1 1 412.493 3.996 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462230927 985211316 /nfs/dbraw/zinc/21/13/16/985211316.db2.gz DRUYZADVHBEROE-HNNXBMFYSA-N 1 1 400.548 3.791 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462462105 985422282 /nfs/dbraw/zinc/42/22/82/985422282.db2.gz BFXQTVOVEOYNSZ-ZWKOTPCHSA-N 1 1 414.550 3.901 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000443356336 985518941 /nfs/dbraw/zinc/51/89/41/985518941.db2.gz JJKHYMCLKLZCMX-CYBMUJFWSA-N 1 1 400.891 3.745 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1C ZINC000443361233 985523444 /nfs/dbraw/zinc/52/34/44/985523444.db2.gz MJEFEHDHVRQDIQ-FXAWDEMLSA-N 1 1 420.513 3.620 20 30 HHEDMO COc1ccccc1[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+]1CCCC1 ZINC000468253904 985953761 /nfs/dbraw/zinc/95/37/61/985953761.db2.gz RKLPRAULQYTSOG-NRFANRHFSA-N 1 1 416.481 3.789 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC000463017161 985973741 /nfs/dbraw/zinc/97/37/41/985973741.db2.gz XGLUZIJLMOCAPJ-ZEQRLZLVSA-N 1 1 418.541 3.696 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463017917 985975235 /nfs/dbraw/zinc/97/52/35/985975235.db2.gz YFUDWWKDUDBJPG-NTKDMRAZSA-N 1 1 418.541 3.632 20 30 HHEDMO COC(=O)c1ccccc1CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000463228734 986197763 /nfs/dbraw/zinc/19/77/63/986197763.db2.gz LDWMABBRDAMXCF-KRWDZBQOSA-N 1 1 405.498 3.627 20 30 HHEDMO Cc1c(C[NH+]2CCSCC2)cccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000444034380 986231367 /nfs/dbraw/zinc/23/13/67/986231367.db2.gz TZVVDFVDEASEJB-UHFFFAOYSA-N 1 1 421.975 3.870 20 30 HHEDMO N#CCCCn1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c2ccccc21 ZINC000444036911 986234334 /nfs/dbraw/zinc/23/43/34/986234334.db2.gz UUFHBLSHFSSDLV-UHFFFAOYSA-N 1 1 416.525 3.707 20 30 HHEDMO N#CC1(CS(=O)(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCCC1 ZINC000444064441 986267209 /nfs/dbraw/zinc/26/72/09/986267209.db2.gz KDLNNBMFGHVVTE-IBGZPJMESA-N 1 1 409.983 3.870 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(C)(C)C ZINC000463374121 986340604 /nfs/dbraw/zinc/34/06/04/986340604.db2.gz ZDEYVLNSPNICLS-KRWDZBQOSA-N 1 1 400.567 3.724 20 30 HHEDMO C=CCN(C(=O)C[N@@H+](C)C[C@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000463380010 986347272 /nfs/dbraw/zinc/34/72/72/986347272.db2.gz VPDRMLLTOJTZQY-LBPRGKRZSA-N 1 1 414.358 3.949 20 30 HHEDMO C=CCN(C(=O)C[N@H+](C)C[C@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000463380010 986347283 /nfs/dbraw/zinc/34/72/83/986347283.db2.gz VPDRMLLTOJTZQY-LBPRGKRZSA-N 1 1 414.358 3.949 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)CC[C@@H]3CCCC[N@@H+]3C)sc2C1 ZINC000444172402 986349923 /nfs/dbraw/zinc/34/99/23/986349923.db2.gz REQTVGGFQGLPRV-IRXDYDNUSA-N 1 1 402.608 3.879 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CCN(C)CC[C@@H]3CCCC[N@H+]3C)sc2C1 ZINC000444172402 986349949 /nfs/dbraw/zinc/34/99/49/986349949.db2.gz REQTVGGFQGLPRV-IRXDYDNUSA-N 1 1 402.608 3.879 20 30 HHEDMO N#C[C@@H]1N(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCC[C@]12CCCCO2 ZINC000468637726 986353602 /nfs/dbraw/zinc/35/36/02/986353602.db2.gz KFOXQNKRXFJLHN-ZCVJKFOLSA-N 1 1 410.562 3.947 20 30 HHEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000444196923 986374959 /nfs/dbraw/zinc/37/49/59/986374959.db2.gz NGXWMQWFCPLRQB-GOSISDBHSA-N 1 1 417.985 3.555 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463432560 986406579 /nfs/dbraw/zinc/40/65/79/986406579.db2.gz UZAFOTRYUWKFFS-MZNJEOGPSA-N 1 1 423.582 3.753 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463432560 986406584 /nfs/dbraw/zinc/40/65/84/986406584.db2.gz UZAFOTRYUWKFFS-MZNJEOGPSA-N 1 1 423.582 3.753 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463432562 986407165 /nfs/dbraw/zinc/40/71/65/986407165.db2.gz UZAFOTRYUWKFFS-XDHUDOTRSA-N 1 1 423.582 3.753 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463432562 986407174 /nfs/dbraw/zinc/40/71/74/986407174.db2.gz UZAFOTRYUWKFFS-XDHUDOTRSA-N 1 1 423.582 3.753 20 30 HHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463440117 986418014 /nfs/dbraw/zinc/41/80/14/986418014.db2.gz MXYSGXRGIINRRD-LCTYFBFGSA-N 1 1 411.590 3.623 20 30 HHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000444235291 986423574 /nfs/dbraw/zinc/42/35/74/986423574.db2.gz FMTRRDFFVGQGIK-NRFANRHFSA-N 1 1 401.514 3.944 20 30 HHEDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)C[C@H](C)O1 ZINC000468784543 986496551 /nfs/dbraw/zinc/49/65/51/986496551.db2.gz BQMHBONIVZQDCA-BGYRXZFFSA-N 1 1 422.573 3.906 20 30 HHEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000444390852 986566939 /nfs/dbraw/zinc/56/69/39/986566939.db2.gz XNVHCCPEYLVQHY-QGZVFWFLSA-N 1 1 409.555 3.627 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000468916927 986623429 /nfs/dbraw/zinc/62/34/29/986623429.db2.gz KAQRTUQOKVMIRI-QGZVFWFLSA-N 1 1 419.554 3.984 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000468916927 986623437 /nfs/dbraw/zinc/62/34/37/986623437.db2.gz KAQRTUQOKVMIRI-QGZVFWFLSA-N 1 1 419.554 3.984 20 30 HHEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)c1 ZINC000444603018 986790036 /nfs/dbraw/zinc/79/00/36/986790036.db2.gz OWPKPLXMNNGHCF-UHFFFAOYSA-N 1 1 405.433 3.598 20 30 HHEDMO CCC[C@@]1(CO)CCC[N@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000444759607 986921300 /nfs/dbraw/zinc/92/13/00/986921300.db2.gz HDMOEHVIKMURDZ-QHCPKHFHSA-N 1 1 412.534 3.574 20 30 HHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](O)COc1ccccc1 ZINC000444812407 986965673 /nfs/dbraw/zinc/96/56/73/986965673.db2.gz KZQDTSZSRUWICJ-LJQANCHMSA-N 1 1 415.921 3.691 20 30 HHEDMO C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@H+]1CC(C)(C)O ZINC000444815023 986968587 /nfs/dbraw/zinc/96/85/87/986968587.db2.gz DVGGFCPTKFASCO-KRWDZBQOSA-N 1 1 408.502 3.659 20 30 HHEDMO CC[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469258263 986976976 /nfs/dbraw/zinc/97/69/76/986976976.db2.gz JXJCMPNIALKIAD-OAQYLSRUSA-N 1 1 400.482 3.950 20 30 HHEDMO CC[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000469258263 986976984 /nfs/dbraw/zinc/97/69/84/986976984.db2.gz JXJCMPNIALKIAD-OAQYLSRUSA-N 1 1 400.482 3.950 20 30 HHEDMO N#CCCN(C(=O)C[N@H+](CCO)[C@H]1CCCc2ccccc21)c1cccc(Cl)c1 ZINC000470221278 988150204 /nfs/dbraw/zinc/15/02/04/988150204.db2.gz XGUACHIPDGYCNU-QFIPXVFZSA-N 1 1 411.933 3.959 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1Cl ZINC000470369323 988332670 /nfs/dbraw/zinc/33/26/70/988332670.db2.gz LTZLHVXFLYBJEO-LJQANCHMSA-N 1 1 402.970 3.559 20 30 HHEDMO C=C(C)C[N@H+](CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)Cc1ccccc1 ZINC000470906369 988981780 /nfs/dbraw/zinc/98/17/80/988981780.db2.gz MYFYEALPPBJATR-UHFFFAOYSA-N 1 1 420.492 3.696 20 30 HHEDMO C=C(C)C[N@@H+](CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)Cc1ccccc1 ZINC000470906369 988981789 /nfs/dbraw/zinc/98/17/89/988981789.db2.gz MYFYEALPPBJATR-UHFFFAOYSA-N 1 1 420.492 3.696 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967654 989031646 /nfs/dbraw/zinc/03/16/46/989031646.db2.gz OHXHEKWFUNWRRK-MJGOQNOKSA-N 1 1 400.592 3.541 20 30 HHEDMO CC[C@@](C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nc(C)cs1 ZINC000464803798 989032746 /nfs/dbraw/zinc/03/27/46/989032746.db2.gz AHIATTQJGRGIOU-LJQANCHMSA-N 1 1 409.477 3.853 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](C[N@@H+](C)CC4CC4)C3)sc2C1 ZINC000470983506 989047994 /nfs/dbraw/zinc/04/79/94/989047994.db2.gz OBFFNNQPAMUGLZ-SJLPKXTDSA-N 1 1 414.619 3.737 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470991230 989055316 /nfs/dbraw/zinc/05/53/16/989055316.db2.gz CVGTWKIRQPLGAN-FCEUIQTBSA-N 1 1 420.532 3.525 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000464826887 989064349 /nfs/dbraw/zinc/06/43/49/989064349.db2.gz GDWPIMGQASKVEN-RPWUZVMVSA-N 1 1 420.532 3.636 20 30 HHEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464844142 989093879 /nfs/dbraw/zinc/09/38/79/989093879.db2.gz DWLFIGPECJMESF-IBGZPJMESA-N 1 1 422.598 3.891 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000464844142 989093886 /nfs/dbraw/zinc/09/38/86/989093886.db2.gz DWLFIGPECJMESF-IBGZPJMESA-N 1 1 422.598 3.891 20 30 HHEDMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000471032717 989105577 /nfs/dbraw/zinc/10/55/77/989105577.db2.gz YOBPOWIOWOJEAI-QFIPXVFZSA-N 1 1 421.589 3.627 20 30 HHEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000471111716 989214617 /nfs/dbraw/zinc/21/46/17/989214617.db2.gz CXZMYPHETWYWCD-XMMPIXPASA-N 1 1 412.537 3.755 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000464946693 989239132 /nfs/dbraw/zinc/23/91/32/989239132.db2.gz YTJFOWACXGNLIE-QHCPKHFHSA-N 1 1 421.589 3.717 20 30 HHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000471147997 989260539 /nfs/dbraw/zinc/26/05/39/989260539.db2.gz JNYQGJDZMXUNJP-HXUWFJFHSA-N 1 1 407.905 3.815 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000464965757 989265721 /nfs/dbraw/zinc/26/57/21/989265721.db2.gz VMODMIGNKJTQFA-OAQYLSRUSA-N 1 1 420.557 3.579 20 30 HHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000471152978 989267846 /nfs/dbraw/zinc/26/78/46/989267846.db2.gz UGSWOFFBVZXGMC-NRFANRHFSA-N 1 1 417.469 3.675 20 30 HHEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464980010 989282673 /nfs/dbraw/zinc/28/26/73/989282673.db2.gz JFMYGAPWRIQMPU-QPPBQGQZSA-N 1 1 405.542 3.942 20 30 HHEDMO C=CCc1ccc(OCC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000464986415 989292042 /nfs/dbraw/zinc/29/20/42/989292042.db2.gz RXPZIGOOTVGYMP-QFIPXVFZSA-N 1 1 408.542 3.783 20 30 HHEDMO Cc1nc2sccn2c1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000465403387 989751146 /nfs/dbraw/zinc/75/11/46/989751146.db2.gz KTRGSCRAYLHQRW-UHFFFAOYSA-N 1 1 413.572 3.977 20 30 HHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000471601137 989803738 /nfs/dbraw/zinc/80/37/38/989803738.db2.gz HOZAVXUJKGUCOX-UHFFFAOYSA-N 1 1 406.574 3.722 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000465534379 989896789 /nfs/dbraw/zinc/89/67/89/989896789.db2.gz QEEZNQCIRPSEHT-ZEQRLZLVSA-N 1 1 402.542 3.916 20 30 HHEDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000471964675 990130461 /nfs/dbraw/zinc/13/04/61/990130461.db2.gz OUUXTAUBAREGNF-HKUYNNGSSA-N 1 1 413.909 3.984 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000471964675 990130469 /nfs/dbraw/zinc/13/04/69/990130469.db2.gz OUUXTAUBAREGNF-HKUYNNGSSA-N 1 1 413.909 3.984 20 30 HHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000465978064 991133849 /nfs/dbraw/zinc/13/38/49/991133849.db2.gz ZWBPNCDEJNZJGO-OAQYLSRUSA-N 1 1 419.573 3.691 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000466076100 991250105 /nfs/dbraw/zinc/25/01/05/991250105.db2.gz JCIIVFBSWMPNLD-XLIONFOSSA-N 1 1 412.559 3.869 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000466329010 991582975 /nfs/dbraw/zinc/58/29/75/991582975.db2.gz OCAKQPQSNFVSNM-PXDATVDWSA-N 1 1 419.525 3.824 20 30 HHEDMO N#CCSCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000466726444 992036635 /nfs/dbraw/zinc/03/66/35/992036635.db2.gz BMFVQSURDOOYOV-JOCHJYFZSA-N 1 1 411.546 3.558 20 30 HHEDMO N#CCSCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000466726444 992036647 /nfs/dbraw/zinc/03/66/47/992036647.db2.gz BMFVQSURDOOYOV-JOCHJYFZSA-N 1 1 411.546 3.558 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCc1cccc(C#N)c1 ZINC000466808208 992117544 /nfs/dbraw/zinc/11/75/44/992117544.db2.gz XJZWWCKVHWKSLK-CYFREDJKSA-N 1 1 419.573 3.746 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCc1cccc(C#N)c1 ZINC000466808208 992117550 /nfs/dbraw/zinc/11/75/50/992117550.db2.gz XJZWWCKVHWKSLK-CYFREDJKSA-N 1 1 419.573 3.746 20 30 HHEDMO N#Cc1cccc(CCNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000466815297 992124175 /nfs/dbraw/zinc/12/41/75/992124175.db2.gz KRNTUNOOFWTIIO-VWLOTQADSA-N 1 1 402.542 3.798 20 30 HHEDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000467126265 992442752 /nfs/dbraw/zinc/44/27/52/992442752.db2.gz QDBBFBDNIBXLKL-PBHICJAKSA-N 1 1 423.460 3.518 20 30 HHEDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000467126265 992442756 /nfs/dbraw/zinc/44/27/56/992442756.db2.gz QDBBFBDNIBXLKL-PBHICJAKSA-N 1 1 423.460 3.518 20 30 HHEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000467511693 992790496 /nfs/dbraw/zinc/79/04/96/992790496.db2.gz DQSAREOAZNJWLN-HXUWFJFHSA-N 1 1 410.514 3.502 20 30 HHEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000467511693 992790504 /nfs/dbraw/zinc/79/05/04/992790504.db2.gz DQSAREOAZNJWLN-HXUWFJFHSA-N 1 1 410.514 3.502 20 30 HHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000467511692 992790631 /nfs/dbraw/zinc/79/06/31/992790631.db2.gz DQSAREOAZNJWLN-FQEVSTJZSA-N 1 1 410.514 3.502 20 30 HHEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000467511692 992790640 /nfs/dbraw/zinc/79/06/40/992790640.db2.gz DQSAREOAZNJWLN-FQEVSTJZSA-N 1 1 410.514 3.502 20 30 HHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000467601112 992871664 /nfs/dbraw/zinc/87/16/64/992871664.db2.gz JYEQCXAGPKPSOM-YADHBBJMSA-N 1 1 410.562 3.980 20 30 HHEDMO Cc1nc(SCC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755811 993000303 /nfs/dbraw/zinc/00/03/03/993000303.db2.gz SRCLSCFNAGFJKN-FOIQADDNSA-N 1 1 408.571 3.750 20 30 HHEDMO Cc1ncc(C[N@@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000472430418 993431606 /nfs/dbraw/zinc/43/16/06/993431606.db2.gz KVUBKAQJSBJKOF-UHFFFAOYSA-N 1 1 411.531 3.843 20 30 HHEDMO N#CC(CC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000472579663 993545040 /nfs/dbraw/zinc/54/50/40/993545040.db2.gz JQPDNRSYSRFPHF-DEOSSOPVSA-N 1 1 417.553 3.600 20 30 HHEDMO CCc1nc(CN2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)no1 ZINC000472592797 993552201 /nfs/dbraw/zinc/55/22/01/993552201.db2.gz PKWAGJXSMOHLLE-UHFFFAOYSA-N 1 1 415.541 3.650 20 30 HHEDMO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000472843792 993778775 /nfs/dbraw/zinc/77/87/75/993778775.db2.gz AUYWZANOWLGHDC-UHFFFAOYSA-N 1 1 405.542 3.867 20 30 HHEDMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)c1ccsc1 ZINC000473099926 994004396 /nfs/dbraw/zinc/00/43/96/994004396.db2.gz BPOSSCNGDQMEEM-JOCHJYFZSA-N 1 1 417.534 3.506 20 30 HHEDMO N#CCCCOc1cccnc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000481381485 994213269 /nfs/dbraw/zinc/21/32/69/994213269.db2.gz NOOKHAUJTHSDRN-DEOSSOPVSA-N 1 1 419.529 3.894 20 30 HHEDMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000481402153 994235222 /nfs/dbraw/zinc/23/52/22/994235222.db2.gz KBCYGKOLULRCTA-RDPSFJRHSA-N 1 1 412.493 3.564 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000481417664 994251571 /nfs/dbraw/zinc/25/15/71/994251571.db2.gz KIBSYPBZYFMOLW-HRAATJIYSA-N 1 1 412.534 3.903 20 30 HHEDMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000481440465 994275744 /nfs/dbraw/zinc/27/57/44/994275744.db2.gz TYMQDWOMRSXOND-VGOFRKELSA-N 1 1 405.477 3.574 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000481547761 994379549 /nfs/dbraw/zinc/37/95/49/994379549.db2.gz XCTHNNHZRGFNQM-WIYYLYMNSA-N 1 1 400.567 3.903 20 30 HHEDMO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000473567532 994435421 /nfs/dbraw/zinc/43/54/21/994435421.db2.gz HICURJUNVSFSSS-DENIHFKCSA-N 1 1 414.981 3.703 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1)c1ccc(F)c(F)c1 ZINC000481591952 994437976 /nfs/dbraw/zinc/43/79/76/994437976.db2.gz BQDRPKQEHKSVRV-KSFYIVLOSA-N 1 1 415.484 3.615 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1C ZINC000481630020 994496129 /nfs/dbraw/zinc/49/61/29/994496129.db2.gz QKKHPZZWEDQJLZ-UHFFFAOYSA-N 1 1 423.532 3.759 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000481702255 994563034 /nfs/dbraw/zinc/56/30/34/994563034.db2.gz NSCZMZVJQIZRSO-VWLOTQADSA-N 1 1 419.525 3.853 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000481702255 994563043 /nfs/dbraw/zinc/56/30/43/994563043.db2.gz NSCZMZVJQIZRSO-VWLOTQADSA-N 1 1 419.525 3.853 20 30 HHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000481883477 994748676 /nfs/dbraw/zinc/74/86/76/994748676.db2.gz JSFCRPKRPKOVLN-VQIMIIECSA-N 1 1 401.919 3.517 20 30 HHEDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)c1 ZINC000481928254 994799612 /nfs/dbraw/zinc/79/96/12/994799612.db2.gz TVFHCCASEIEKGR-UHFFFAOYSA-N 1 1 412.493 3.803 20 30 HHEDMO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000473954696 994933375 /nfs/dbraw/zinc/93/33/75/994933375.db2.gz YMRYRRXMHQUYPM-HXUWFJFHSA-N 1 1 409.368 3.759 20 30 HHEDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482495368 995505497 /nfs/dbraw/zinc/50/54/97/995505497.db2.gz IJXOHDWYAJJCHI-FYYLOGMGSA-N 1 1 408.498 3.680 20 30 HHEDMO N#CC1(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CCN(Cc2ccccc2)CC1 ZINC000482600647 995599815 /nfs/dbraw/zinc/59/98/15/995599815.db2.gz CQBKYEUTTMNQIJ-UHFFFAOYSA-N 1 1 402.542 3.571 20 30 HHEDMO N#Cc1c(C[N@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cn2ccccc12 ZINC000482889979 995820838 /nfs/dbraw/zinc/82/08/38/995820838.db2.gz VGCBUBLOVGZQNY-UHFFFAOYSA-N 1 1 410.477 3.629 20 30 HHEDMO N#Cc1c(C[N@@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cn2ccccc12 ZINC000482889979 995820844 /nfs/dbraw/zinc/82/08/44/995820844.db2.gz VGCBUBLOVGZQNY-UHFFFAOYSA-N 1 1 410.477 3.629 20 30 HHEDMO Cc1cccc(CC2(O)CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000482953597 995878355 /nfs/dbraw/zinc/87/83/55/995878355.db2.gz VVAHKMDLWWGAJL-KRWDZBQOSA-N 1 1 411.933 3.917 20 30 HHEDMO Cc1cc(-c2noc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000483425594 996170640 /nfs/dbraw/zinc/17/06/40/996170640.db2.gz JHUUEPRFXHMFQV-UHFFFAOYSA-N 1 1 405.477 3.764 20 30 HHEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1)c1cccc(Cl)c1 ZINC000475671577 996290768 /nfs/dbraw/zinc/29/07/68/996290768.db2.gz JOSXRNFAMDTHSN-QHCPKHFHSA-N 1 1 411.933 3.656 20 30 HHEDMO N#Cc1ccc(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000475805423 996382572 /nfs/dbraw/zinc/38/25/72/996382572.db2.gz PBCBSCRBOQKKOG-YQQQUEKLSA-N 1 1 415.946 3.686 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000483797615 996394706 /nfs/dbraw/zinc/39/47/06/996394706.db2.gz HTJCDSBBDPRNES-NRFANRHFSA-N 1 1 414.513 3.520 20 30 HHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000483894242 996453947 /nfs/dbraw/zinc/45/39/47/996453947.db2.gz GAAPUYBYFJZISQ-HKUYNNGSSA-N 1 1 418.904 3.935 20 30 HHEDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000483894242 996453951 /nfs/dbraw/zinc/45/39/51/996453951.db2.gz GAAPUYBYFJZISQ-HKUYNNGSSA-N 1 1 418.904 3.935 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1F ZINC000483954642 996489244 /nfs/dbraw/zinc/48/92/44/996489244.db2.gz XUFCIDLLFPKBHY-OAHLLOKOSA-N 1 1 417.282 3.706 20 30 HHEDMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)C2)cc(OC)c1 ZINC000476259424 996712015 /nfs/dbraw/zinc/71/20/15/996712015.db2.gz LUNVBKJGSXIHSC-HXUWFJFHSA-N 1 1 407.514 3.509 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)C2)cc(OC)c1 ZINC000476259424 996712018 /nfs/dbraw/zinc/71/20/18/996712018.db2.gz LUNVBKJGSXIHSC-HXUWFJFHSA-N 1 1 407.514 3.509 20 30 HHEDMO CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000476329116 996759947 /nfs/dbraw/zinc/75/99/47/996759947.db2.gz HEUMKXOPNJOAQN-PKTZIBPZSA-N 1 1 405.542 3.897 20 30 HHEDMO CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000476329116 996759966 /nfs/dbraw/zinc/75/99/66/996759966.db2.gz HEUMKXOPNJOAQN-PKTZIBPZSA-N 1 1 405.542 3.897 20 30 HHEDMO CC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000476330930 996761224 /nfs/dbraw/zinc/76/12/24/996761224.db2.gz LXIYEAHJGXGHGL-HJOGWXRNSA-N 1 1 405.542 3.870 20 30 HHEDMO CC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000476330930 996761229 /nfs/dbraw/zinc/76/12/29/996761229.db2.gz LXIYEAHJGXGHGL-HJOGWXRNSA-N 1 1 405.542 3.870 20 30 HHEDMO N#CC1(CS(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCCC1 ZINC000476340527 996765485 /nfs/dbraw/zinc/76/54/85/996765485.db2.gz TUHXKMKLRSRKGF-QHCPKHFHSA-N 1 1 415.603 3.778 20 30 HHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)c2C1 ZINC000476340046 996765510 /nfs/dbraw/zinc/76/55/10/996765510.db2.gz ZYZXGUBWWITJAN-QHCPKHFHSA-N 1 1 416.525 3.660 20 30 HHEDMO N#CC1(CS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000476409609 996870247 /nfs/dbraw/zinc/87/02/47/996870247.db2.gz BUQRPKJLZYLLBP-VXKWHMMOSA-N 1 1 415.603 3.777 20 30 HHEDMO CC(C)([C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000484552367 996883947 /nfs/dbraw/zinc/88/39/47/996883947.db2.gz LXNAYNPBYLMDPF-JOCHJYFZSA-N 1 1 412.484 3.980 20 30 HHEDMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1)CC(C)C ZINC000476500823 996988130 /nfs/dbraw/zinc/98/81/30/996988130.db2.gz QZUJCJFKAGCJTE-UHFFFAOYSA-N 1 1 411.999 3.980 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)cc1OCC ZINC000484733120 997076288 /nfs/dbraw/zinc/07/62/88/997076288.db2.gz AYLSYFKYVFFKSK-ZAMGYDSWSA-N 1 1 404.370 3.611 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)cc1OCC ZINC000484733120 997076300 /nfs/dbraw/zinc/07/63/00/997076300.db2.gz AYLSYFKYVFFKSK-ZAMGYDSWSA-N 1 1 404.370 3.611 20 30 HHEDMO Cc1cc(-c2noc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)n2)ccc1F ZINC000485123246 997506954 /nfs/dbraw/zinc/50/69/54/997506954.db2.gz TXYSCGNNHGQORQ-UHFFFAOYSA-N 1 1 419.460 3.907 20 30 HHEDMO N#Cc1ccc(NC(=O)CCN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000485332053 997747396 /nfs/dbraw/zinc/74/73/96/997747396.db2.gz PXHNKMBJQWLLAA-VWNXMTODSA-N 1 1 402.542 3.873 20 30 HHEDMO N#Cc1ccc(NC(=O)CCN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000485332053 997747405 /nfs/dbraw/zinc/74/74/05/997747405.db2.gz PXHNKMBJQWLLAA-VWNXMTODSA-N 1 1 402.542 3.873 20 30 HHEDMO N#Cc1ccc(N2CC[C@H](N3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)C2=O)cc1 ZINC000485344272 997764029 /nfs/dbraw/zinc/76/40/29/997764029.db2.gz ASKPJAGCBORXII-GPXOXTDOSA-N 1 1 414.553 3.650 20 30 HHEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000477138392 997795453 /nfs/dbraw/zinc/79/54/53/997795453.db2.gz WSSPIRLTAIHDSI-QHCPKHFHSA-N 1 1 424.520 3.520 20 30 HHEDMO C[C@@H]1C[C@@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000485412412 997844467 /nfs/dbraw/zinc/84/44/67/997844467.db2.gz ZLOAUQCODRVWBU-WNOPAQSVSA-N 1 1 402.542 3.696 20 30 HHEDMO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1Cc1ccccc1 ZINC000485412412 997844483 /nfs/dbraw/zinc/84/44/83/997844483.db2.gz ZLOAUQCODRVWBU-WNOPAQSVSA-N 1 1 402.542 3.696 20 30 HHEDMO C=CCSc1ccccc1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000485460600 997905164 /nfs/dbraw/zinc/90/51/64/997905164.db2.gz BGSXDYFNMSWWBB-UHFFFAOYSA-N 1 1 402.482 3.692 20 30 HHEDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000477286701 997969547 /nfs/dbraw/zinc/96/95/47/997969547.db2.gz UQRFNYUOGJELSR-SFHVURJKSA-N 1 1 411.468 3.840 20 30 HHEDMO CCCN(C(=O)c1c(F)cc(C#N)cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000485531234 997988195 /nfs/dbraw/zinc/98/81/95/997988195.db2.gz SKOMLEDVMYFJHO-UHFFFAOYSA-N 1 1 413.472 3.765 20 30 HHEDMO Cc1cccc(Br)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000485699583 998163532 /nfs/dbraw/zinc/16/35/32/998163532.db2.gz WKOJZMYAJJHLAC-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO Cc1cccc(Br)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000485699583 998163537 /nfs/dbraw/zinc/16/35/37/998163537.db2.gz WKOJZMYAJJHLAC-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(OC)c1 ZINC000477461261 998173973 /nfs/dbraw/zinc/17/39/73/998173973.db2.gz AWNHQUVGNQIPMM-PMACEKPBSA-N 1 1 411.498 3.729 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000477500733 998221828 /nfs/dbraw/zinc/22/18/28/998221828.db2.gz PVGWWPJTXLMQIF-UHFFFAOYSA-N 1 1 403.404 3.805 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000477500733 998221838 /nfs/dbraw/zinc/22/18/38/998221838.db2.gz PVGWWPJTXLMQIF-UHFFFAOYSA-N 1 1 403.404 3.805 20 30 HHEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000485806345 998274296 /nfs/dbraw/zinc/27/42/96/998274296.db2.gz XDCVSIVVXFOWCN-ABAIWWIYSA-N 1 1 408.449 3.761 20 30 HHEDMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000485832556 998298173 /nfs/dbraw/zinc/29/81/73/998298173.db2.gz KIKSHBBWVODQIN-QGZVFWFLSA-N 1 1 402.947 3.924 20 30 HHEDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000478048774 998735256 /nfs/dbraw/zinc/73/52/56/998735256.db2.gz XBVJIYZRBOFIAG-SFHVURJKSA-N 1 1 406.530 3.525 20 30 HHEDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000478048774 998735258 /nfs/dbraw/zinc/73/52/58/998735258.db2.gz XBVJIYZRBOFIAG-SFHVURJKSA-N 1 1 406.530 3.525 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000478273030 998856894 /nfs/dbraw/zinc/85/68/94/998856894.db2.gz MIVONEUSJVEYII-ROUUACIJSA-N 1 1 424.570 3.656 20 30 HHEDMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)ccn2)CC1 ZINC000486693584 998895458 /nfs/dbraw/zinc/89/54/58/998895458.db2.gz DYVVEBPNOGAGRM-UHFFFAOYSA-N 1 1 413.481 3.750 20 30 HHEDMO CSC[C@H]1CCC[N@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000486809969 998950235 /nfs/dbraw/zinc/95/02/35/998950235.db2.gz PKVAEHOYEKCNPQ-QGZVFWFLSA-N 1 1 400.548 3.774 20 30 HHEDMO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000486855651 998975150 /nfs/dbraw/zinc/97/51/50/998975150.db2.gz GACYGQOUXAQGAC-GOSISDBHSA-N 1 1 404.297 3.764 20 30 HHEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487277017 999121758 /nfs/dbraw/zinc/12/17/58/999121758.db2.gz YUBZWVSUQACXNS-UCFCWBNQSA-N 1 1 405.542 3.988 20 30 HHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000487407574 999164163 /nfs/dbraw/zinc/16/41/63/999164163.db2.gz APMYRVXYBZIKMH-UHFFFAOYSA-N 1 1 410.949 3.897 20 30 HHEDMO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487409875 999165067 /nfs/dbraw/zinc/16/50/67/999165067.db2.gz HQNYKSLXIACBLJ-UHFFFAOYSA-N 1 1 404.558 3.806 20 30 HHEDMO COc1ccc(CN2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)c(OC)c1OC ZINC000487413709 999167007 /nfs/dbraw/zinc/16/70/07/999167007.db2.gz MDTBMOUSKYFDQS-UHFFFAOYSA-N 1 1 423.557 3.831 20 30 HHEDMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487414959 999167434 /nfs/dbraw/zinc/16/74/34/999167434.db2.gz RKYZRUYRJIBFLM-UHFFFAOYSA-N 1 1 404.558 3.861 20 30 HHEDMO C=C(C)[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000478921300 999209434 /nfs/dbraw/zinc/20/94/34/999209434.db2.gz JDJULUKRKQMVNU-XXBNENTESA-N 1 1 400.469 3.989 20 30 HHEDMO C=C(C)[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000478921300 999209436 /nfs/dbraw/zinc/20/94/36/999209436.db2.gz JDJULUKRKQMVNU-XXBNENTESA-N 1 1 400.469 3.989 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000478954658 999220593 /nfs/dbraw/zinc/22/05/93/999220593.db2.gz HNNDEMJIGKKVFZ-MRXNPFEDSA-N 1 1 416.953 3.653 20 30 HHEDMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(C#N)c(Br)c3)CC2)[nH+]c1 ZINC000487959231 999328526 /nfs/dbraw/zinc/32/85/26/999328526.db2.gz RIORRWUFWMEISR-UHFFFAOYSA-N 1 1 414.307 3.815 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000488165478 999399166 /nfs/dbraw/zinc/39/91/66/999399166.db2.gz SLBZXHSFLUDJKD-AWEZNQCLSA-N 1 1 400.523 3.728 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000488165478 999399169 /nfs/dbraw/zinc/39/91/69/999399169.db2.gz SLBZXHSFLUDJKD-AWEZNQCLSA-N 1 1 400.523 3.728 20 30 HHEDMO COc1cccc([C@@H]2[C@H](NC(=O)N(C)Cc3cccc(C#N)c3)CC[N@H+]2C2CC2)c1 ZINC000488308235 999433374 /nfs/dbraw/zinc/43/33/74/999433374.db2.gz UKPVRJJUBKPQQN-DHIUTWEWSA-N 1 1 404.514 3.686 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc2ccc(Cl)cc2n1C ZINC000488463156 999494800 /nfs/dbraw/zinc/49/48/00/999494800.db2.gz LJQFTHKARUEVNR-LIRRHRJNSA-N 1 1 407.905 3.550 20 30 HHEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1Br ZINC000488470296 999497385 /nfs/dbraw/zinc/49/73/85/999497385.db2.gz VHJNJKDYFCQTGK-YJYMSZOUSA-N 1 1 416.294 3.912 20 30 HHEDMO COC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000488472207 999498379 /nfs/dbraw/zinc/49/83/79/999498379.db2.gz DHDKIZDMBHMCSF-VQTJNVASSA-N 1 1 417.431 3.655 20 30 HHEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Br)ccc1F ZINC000488478158 999500915 /nfs/dbraw/zinc/50/09/15/999500915.db2.gz PAGWMUYWRPQJCQ-YJYMSZOUSA-N 1 1 416.294 3.912 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)CC2)cc1 ZINC000479622406 999505526 /nfs/dbraw/zinc/50/55/26/999505526.db2.gz ULZGNKRBZJEYEP-QFIPXVFZSA-N 1 1 410.562 3.657 20 30 HHEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1OC(F)F ZINC000488492893 999506536 /nfs/dbraw/zinc/50/65/36/999506536.db2.gz FSXBLYWVRUJQQD-ACJLOTCBSA-N 1 1 403.404 3.750 20 30 HHEDMO C=CCC[C@@H](C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC)c1ccccc1 ZINC000488692055 999575003 /nfs/dbraw/zinc/57/50/03/999575003.db2.gz ATERVSYVLBWAQS-OAQYLSRUSA-N 1 1 421.541 3.771 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccc4c(c3)CCCC4)CC2)cc1 ZINC000479880645 999634454 /nfs/dbraw/zinc/63/44/54/999634454.db2.gz GISNNKHPLRGYHW-UHFFFAOYSA-N 1 1 403.526 3.550 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc4c(c3)CCCC4)CC2)cc1 ZINC000479880645 999634457 /nfs/dbraw/zinc/63/44/57/999634457.db2.gz GISNNKHPLRGYHW-UHFFFAOYSA-N 1 1 403.526 3.550 20 30 HHEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000488922249 999647968 /nfs/dbraw/zinc/64/79/68/999647968.db2.gz VOSIXBTVEOKQJM-HXUWFJFHSA-N 1 1 403.526 3.803 20 30 HHEDMO COc1cccc(C([NH2+]CC(=O)Nc2cccc(C#N)c2)c2cccc(OC)c2)c1 ZINC000480341662 999775420 /nfs/dbraw/zinc/77/54/20/999775420.db2.gz ZBRBQPAKCXPDFA-UHFFFAOYSA-N 1 1 401.466 3.893 20 30 HHEDMO Cn1cc(C[NH2+][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)cc1C#N ZINC000480342578 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CGYCXBNOWVYMQY-UHFFFAOYSA-N 1 1 400.939 3.629 20 30 HHEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000536343103 1011547991 /nfs/dbraw/zinc/54/79/91/1011547991.db2.gz CGYCXBNOWVYMQY-UHFFFAOYSA-N 1 1 400.939 3.629 20 30 HHEDMO COc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)CC2 ZINC000536346721 1011551819 /nfs/dbraw/zinc/55/18/19/1011551819.db2.gz YYVVHSRLEUVNDI-UHFFFAOYSA-N 1 1 409.555 3.937 20 30 HHEDMO Cc1cc(-c2nnc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)o2)c(C)o1 ZINC000536350498 1011557307 /nfs/dbraw/zinc/55/73/07/1011557307.db2.gz WVWGUTNKODJCMY-UHFFFAOYSA-N 1 1 405.458 3.669 20 30 HHEDMO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000540947984 1011596795 /nfs/dbraw/zinc/59/67/95/1011596795.db2.gz YYFYJYYCMDZOFQ-GCJKJVERSA-N 1 1 419.953 3.855 20 30 HHEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000540979639 1011612225 /nfs/dbraw/zinc/61/22/25/1011612225.db2.gz JKDDIYJWVLIMQD-SJLPKXTDSA-N 1 1 418.476 3.668 20 30 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C[C@H]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000551751279 1011910869 /nfs/dbraw/zinc/91/08/69/1011910869.db2.gz DRPRRCXIJNVLRD-KSSFIOAISA-N 1 1 402.420 3.755 20 30 HHEDMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(C#N)cc1F ZINC000551779932 1011941532 /nfs/dbraw/zinc/94/15/32/1011941532.db2.gz MRHDLNUPDGNBDR-LLVKDONJSA-N 1 1 400.397 3.970 20 30 HHEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nc3n(c2C#N)CCS3)c1 ZINC000541283603 1011977791 /nfs/dbraw/zinc/97/77/91/1011977791.db2.gz GWRMQLYCYVGMQU-UHFFFAOYSA-N 1 1 403.511 3.745 20 30 HHEDMO C=CC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000552042524 1012062628 /nfs/dbraw/zinc/06/26/28/1012062628.db2.gz LETJSPJGQIKKRV-MRXNPFEDSA-N 1 1 403.515 3.930 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000523573322 1012117650 /nfs/dbraw/zinc/11/76/50/1012117650.db2.gz UBWZVQVKEFPYEA-INIZCTEOSA-N 1 1 401.507 3.550 20 30 HHEDMO CCC(CC)[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCOCC1 ZINC000523594305 1012154214 /nfs/dbraw/zinc/15/42/14/1012154214.db2.gz HMQMOCMJSUJDRH-XMMPIXPASA-N 1 1 420.557 3.740 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000523610272 1012180539 /nfs/dbraw/zinc/18/05/39/1012180539.db2.gz JUOYRXSWYRGBPQ-RXVVDRJESA-N 1 1 414.933 3.546 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000523610272 1012180555 /nfs/dbraw/zinc/18/05/55/1012180555.db2.gz JUOYRXSWYRGBPQ-RXVVDRJESA-N 1 1 414.933 3.546 20 30 HHEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H](C)C1 ZINC000523784059 1012433430 /nfs/dbraw/zinc/43/34/30/1012433430.db2.gz DBBVCRUILKVDPI-YKSBVNFPSA-N 1 1 420.557 3.740 20 30 HHEDMO Cn1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(-c2cccs2)n1 ZINC000537165006 1012566645 /nfs/dbraw/zinc/56/66/45/1012566645.db2.gz YYINTSPPWBJXDE-UHFFFAOYSA-N 1 1 414.538 3.891 20 30 HHEDMO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@@H](c2ccco2)C1 ZINC000537167527 1012570661 /nfs/dbraw/zinc/57/06/61/1012570661.db2.gz OOBQXHLLVDLLSO-QRVBRYPASA-N 1 1 412.559 3.523 20 30 HHEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@@H](c2ccco2)C1 ZINC000537167527 1012570679 /nfs/dbraw/zinc/57/06/79/1012570679.db2.gz OOBQXHLLVDLLSO-QRVBRYPASA-N 1 1 412.559 3.523 20 30 HHEDMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537172389 1012577693 /nfs/dbraw/zinc/57/76/93/1012577693.db2.gz UFNVNJRGIWICMA-PKOBYXMFSA-N 1 1 422.554 3.896 20 30 HHEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537172389 1012577698 /nfs/dbraw/zinc/57/76/98/1012577698.db2.gz UFNVNJRGIWICMA-PKOBYXMFSA-N 1 1 422.554 3.896 20 30 HHEDMO C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542029048 1012924430 /nfs/dbraw/zinc/92/44/30/1012924430.db2.gz YIPZUTCUYGESDP-NVXWUHKLSA-N 1 1 410.497 3.658 20 30 HHEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000542035137 1012934049 /nfs/dbraw/zinc/93/40/49/1012934049.db2.gz VNXBOYQIQHEFKP-IBGZPJMESA-N 1 1 420.904 3.793 20 30 HHEDMO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542075406 1012995391 /nfs/dbraw/zinc/99/53/91/1012995391.db2.gz LVVWISLFWXGPEW-ZOCIIQOWSA-N 1 1 411.949 3.877 20 30 HHEDMO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542075406 1012995397 /nfs/dbraw/zinc/99/53/97/1012995397.db2.gz LVVWISLFWXGPEW-ZOCIIQOWSA-N 1 1 411.949 3.877 20 30 HHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ncccc2Br)no1 ZINC001211975447 1071829165 /nfs/dbraw/zinc/82/91/65/1071829165.db2.gz HDTFMUNWVOUGFS-HIFRSBDPSA-N 1 1 409.328 3.972 20 30 HHEDMO COc1cc(Nc2cc3ccccc3n2C)c(C#N)cc1OCCC[NH+]1CCOCC1 ZINC001212052616 1071935325 /nfs/dbraw/zinc/93/53/25/1071935325.db2.gz XYDYRLHLMMLUKB-UHFFFAOYSA-N 1 1 420.513 3.903 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000729808388 1072124418 /nfs/dbraw/zinc/12/44/18/1072124418.db2.gz AZCFNUFVQTXXGD-JSGCOSHPSA-N 1 1 400.700 3.511 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000729809522 1072125299 /nfs/dbraw/zinc/12/52/99/1072125299.db2.gz LFOJLOHYPGCZIS-UGKGYDQZSA-N 1 1 424.928 3.842 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000729810154 1072126179 /nfs/dbraw/zinc/12/61/79/1072126179.db2.gz VEBMUXIAOXTDJS-WAEYIKQSSA-N 1 1 424.497 3.533 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000729811923 1072127110 /nfs/dbraw/zinc/12/71/10/1072127110.db2.gz GOYFCCQZSMADHB-OAQYLSRUSA-N 1 1 416.477 3.868 20 30 HHEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)c(Br)c1 ZINC000611682333 1072148015 /nfs/dbraw/zinc/14/80/15/1072148015.db2.gz LSHKZWNWGVZNBP-MRXNPFEDSA-N 1 1 410.109 3.906 20 30 HHEDMO C=CCn1c(-c2cccn2C)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000570248354 1072207637 /nfs/dbraw/zinc/20/76/37/1072207637.db2.gz QNJJQRHRFFHFPX-UHFFFAOYSA-N 1 1 410.953 3.835 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cc2cccc(OCC#N)c2)C1 ZINC000760371938 1072286056 /nfs/dbraw/zinc/28/60/56/1072286056.db2.gz NLTYUAZWIGUJQW-BGYRXZFFSA-N 1 1 405.542 3.926 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000571604739 1072678193 /nfs/dbraw/zinc/67/81/93/1072678193.db2.gz ZEPZIFSSSBLIOZ-KBMIEXCESA-N 1 1 419.525 3.800 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000571604739 1072678195 /nfs/dbraw/zinc/67/81/95/1072678195.db2.gz ZEPZIFSSSBLIOZ-KBMIEXCESA-N 1 1 419.525 3.800 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571604738 1072678247 /nfs/dbraw/zinc/67/82/47/1072678247.db2.gz ZEPZIFSSSBLIOZ-DFBJGRDBSA-N 1 1 419.525 3.800 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571604738 1072678255 /nfs/dbraw/zinc/67/82/55/1072678255.db2.gz ZEPZIFSSSBLIOZ-DFBJGRDBSA-N 1 1 419.525 3.800 20 30 HHEDMO COc1cc(OC)c2ncc(C#N)c(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)c2c1 ZINC000587987412 1072731105 /nfs/dbraw/zinc/73/11/05/1072731105.db2.gz LVEZLBGLSSYJBW-LJQANCHMSA-N 1 1 402.498 3.834 20 30 HHEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000555161834 1073221587 /nfs/dbraw/zinc/22/15/87/1073221587.db2.gz YUEFUEPERVLMQM-LEWJYISDSA-N 1 1 408.571 3.684 20 30 HHEDMO C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298465 1073318512 /nfs/dbraw/zinc/31/85/12/1073318512.db2.gz OAKGYSXBVZRWQC-NTKDMRAZSA-N 1 1 420.532 3.567 20 30 HHEDMO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298465 1073318521 /nfs/dbraw/zinc/31/85/21/1073318521.db2.gz OAKGYSXBVZRWQC-NTKDMRAZSA-N 1 1 420.532 3.567 20 30 HHEDMO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298465 1073318533 /nfs/dbraw/zinc/31/85/33/1073318533.db2.gz OAKGYSXBVZRWQC-NTKDMRAZSA-N 1 1 420.532 3.567 20 30 HHEDMO C=CCOCC[NH+]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000555404147 1073427205 /nfs/dbraw/zinc/42/72/05/1073427205.db2.gz BJNSODRJVVIAEC-HNNXBMFYSA-N 1 1 410.440 3.637 20 30 HHEDMO C=CCn1c2nnc(S[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c2ccccc2c1=O ZINC000555468484 1073534848 /nfs/dbraw/zinc/53/48/48/1073534848.db2.gz AHGRJTQCRDQKAF-GOSISDBHSA-N 1 1 417.538 3.597 20 30 HHEDMO COc1cc(C[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C2CC2)ccc1O ZINC000760993753 1075101771 /nfs/dbraw/zinc/10/17/71/1075101771.db2.gz POBQVHUIQIOJJR-UHFFFAOYSA-N 1 1 407.514 3.929 20 30 HHEDMO COc1cc(C[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C2CC2)ccc1O ZINC000760993753 1075101772 /nfs/dbraw/zinc/10/17/72/1075101772.db2.gz POBQVHUIQIOJJR-UHFFFAOYSA-N 1 1 407.514 3.929 20 30 HHEDMO C=CCC[C@@H](NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000574306936 1075216887 /nfs/dbraw/zinc/21/68/87/1075216887.db2.gz MRCHVJNQPNXOAE-ISKFKSNPSA-N 1 1 419.569 3.791 20 30 HHEDMO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211355 1075544044 /nfs/dbraw/zinc/54/40/44/1075544044.db2.gz TUTYKYMIJAAHRO-FQEVSTJZSA-N 1 1 418.545 3.649 20 30 HHEDMO C=CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211355 1075544047 /nfs/dbraw/zinc/54/40/47/1075544047.db2.gz TUTYKYMIJAAHRO-FQEVSTJZSA-N 1 1 418.545 3.649 20 30 HHEDMO C=CC[N@H+](Cc1cccc(C(=O)NCC(C)C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213369 1075544839 /nfs/dbraw/zinc/54/48/39/1075544839.db2.gz FDGIWFRHWVFYFW-LJQANCHMSA-N 1 1 418.545 3.797 20 30 HHEDMO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)c21 ZINC000761229024 1075673950 /nfs/dbraw/zinc/67/39/50/1075673950.db2.gz RCMQJIBQBRAIHN-UHFFFAOYSA-N 1 1 419.529 3.573 20 30 HHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2 ZINC001164649136 719307407 /nfs/dbraw/zinc/30/74/07/719307407.db2.gz UNCOAOPIPHCLPG-UHFFFAOYSA-N 1 1 408.884 3.553 20 30 HHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc(Cl)nc1C#N)CC2 ZINC001164650036 719309593 /nfs/dbraw/zinc/30/95/93/719309593.db2.gz YYEJXJXWEZRQAA-UHFFFAOYSA-N 1 1 408.884 3.553 20 30 HHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(Cl)c(C)c1C#N)C2 ZINC001164807003 720087279 /nfs/dbraw/zinc/08/72/79/720087279.db2.gz FBNLZMOMNYOZEP-QRWLVFNGSA-N 1 1 409.361 3.753 20 30 HHEDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C#N)c(C)c1Cl ZINC001164839037 720511120 /nfs/dbraw/zinc/51/11/20/720511120.db2.gz SADDLIOAHYBUBL-NLWGTHIKSA-N 1 1 412.969 3.798 20 30 HHEDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C#N)c(C)c1Cl ZINC001164839039 720512181 /nfs/dbraw/zinc/51/21/81/720512181.db2.gz SADDLIOAHYBUBL-WSTZPKSXSA-N 1 1 412.969 3.798 20 30 HHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C4(C#N)CCC4)cn3)CC[C@@H]21 ZINC001164840104 720543069 /nfs/dbraw/zinc/54/30/69/720543069.db2.gz RLHLKJZMVUJNMZ-BVSLBCMMSA-N 1 1 404.562 3.601 20 30 HHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)c(Cl)cc3C#N)CC[C@@H]21 ZINC001164836701 720545458 /nfs/dbraw/zinc/54/54/58/720545458.db2.gz KSMDHTNWJXSPEQ-RYRKJORJSA-N 1 1 419.360 3.834 20 30 HHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(Cl)c3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839282 720639468 /nfs/dbraw/zinc/63/94/68/720639468.db2.gz NCKQAYVKMUCEMR-RLFYNMQTSA-N 1 1 419.360 3.834 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)[C@@H]2C ZINC001164863588 720985930 /nfs/dbraw/zinc/98/59/30/720985930.db2.gz WWRDYYBBENXSTR-MRXNPFEDSA-N 1 1 423.565 3.556 20 30 HHEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870215 721136797 /nfs/dbraw/zinc/13/67/97/721136797.db2.gz BWAOVBJTJWVCTQ-QZTJIDSGSA-N 1 1 419.916 3.635 20 30 HHEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5cc(F)ccc5c(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164768013 721245518 /nfs/dbraw/zinc/24/55/18/721245518.db2.gz XKTJDAWZTIDLAW-JKSUJKDBSA-N 1 1 424.911 3.591 20 30 HHEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898537 721518016 /nfs/dbraw/zinc/51/80/16/721518016.db2.gz ILGVWXNOEPKPKS-FUHWJXTLSA-N 1 1 423.879 3.636 20 30 HHEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905250 721536901 /nfs/dbraw/zinc/53/69/01/721536901.db2.gz HHETXDPSXCWHRT-RDJZCZTQSA-N 1 1 422.838 3.633 20 30 HHEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904697 721546772 /nfs/dbraw/zinc/54/67/72/721546772.db2.gz FZRRSBDRXXJMKN-NVXWUHKLSA-N 1 1 422.838 3.633 20 30 HHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#C[Si](C)(C)C)ccn2)[C@H]2CCCO[C@H]12 ZINC001164807706 721589430 /nfs/dbraw/zinc/58/94/30/721589430.db2.gz PRDYQHQWJWNXJZ-ZDXQCDESSA-N 1 1 420.633 3.574 20 30 HHEDMO C=CC[NH+]1CCN(c2nc(Cc3ccccc3)nc3sc(C(=O)OC)c(C)c32)CC1 ZINC001165032080 721870972 /nfs/dbraw/zinc/87/09/72/721870972.db2.gz GOOLBWPNWWBXOB-UHFFFAOYSA-N 1 1 422.554 3.685 20 30 HHEDMO N#CC1(c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2)CCOCC1 ZINC001164955636 722021477 /nfs/dbraw/zinc/02/14/77/722021477.db2.gz LLVNSZLIORXWRJ-UHFFFAOYSA-N 1 1 417.557 3.541 20 30 HHEDMO COc1cc(C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)cc(OC)c1OC ZINC000301607013 971000129 /nfs/dbraw/zinc/00/01/29/971000129.db2.gz ZCKQXEYRSWDWPO-UHFFFAOYSA-N 1 1 401.894 3.560 20 30 HHEDMO N#Cc1cc(F)c(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c(F)c1 ZINC000301995254 971147426 /nfs/dbraw/zinc/14/74/26/971147426.db2.gz SDXPLKRRHMFIIM-UHFFFAOYSA-N 1 1 415.469 3.703 20 30 HHEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000302063636 971166923 /nfs/dbraw/zinc/16/69/23/971166923.db2.gz VASLCCWEEQNOBW-GOSISDBHSA-N 1 1 424.451 3.887 20 30 HHEDMO N#Cc1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000302887208 971371999 /nfs/dbraw/zinc/37/19/99/971371999.db2.gz NPCUDOSAYSGBCX-GOSISDBHSA-N 1 1 400.320 3.890 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)cc1 ZINC000302900295 971380901 /nfs/dbraw/zinc/38/09/01/971380901.db2.gz RCLDZQIGLLSAPD-UHFFFAOYSA-N 1 1 407.901 3.722 20 30 HHEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)C2=O)cc1 ZINC000537561611 1013092422 /nfs/dbraw/zinc/09/24/22/1013092422.db2.gz HOSOZTADUNOYBA-TZIWHRDSSA-N 1 1 418.545 3.709 20 30 HHEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)C2=O)cc1 ZINC000537561611 1013092436 /nfs/dbraw/zinc/09/24/36/1013092436.db2.gz HOSOZTADUNOYBA-TZIWHRDSSA-N 1 1 418.545 3.709 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537562417 1013094500 /nfs/dbraw/zinc/09/45/00/1013094500.db2.gz SLGYDTQIIGTSND-PKOBYXMFSA-N 1 1 412.582 3.763 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537562417 1013094519 /nfs/dbraw/zinc/09/45/19/1013094519.db2.gz SLGYDTQIIGTSND-PKOBYXMFSA-N 1 1 412.582 3.763 20 30 HHEDMO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000303305061 971614992 /nfs/dbraw/zinc/61/49/92/971614992.db2.gz DKZLFORZPPLHMN-ZWKOTPCHSA-N 1 1 416.591 3.505 20 30 HHEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000303305061 971614995 /nfs/dbraw/zinc/61/49/95/971614995.db2.gz DKZLFORZPPLHMN-ZWKOTPCHSA-N 1 1 416.591 3.505 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537562387 1013095562 /nfs/dbraw/zinc/09/55/62/1013095562.db2.gz SLGYDTQIIGTSND-HKUYNNGSSA-N 1 1 412.582 3.763 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537562387 1013095579 /nfs/dbraw/zinc/09/55/79/1013095579.db2.gz SLGYDTQIIGTSND-HKUYNNGSSA-N 1 1 412.582 3.763 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565661 971859739 /nfs/dbraw/zinc/85/97/39/971859739.db2.gz INURLHVGXZQYLT-ACIOBRDBSA-N 1 1 416.606 3.750 20 30 HHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629207 1013181445 /nfs/dbraw/zinc/18/14/45/1013181445.db2.gz ZULRRWSECHHIHX-INIZCTEOSA-N 1 1 403.465 3.941 20 30 HHEDMO C=CCCOCCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000542251947 1013211667 /nfs/dbraw/zinc/21/16/67/1013211667.db2.gz SFLONGRLLOEFBR-UHFFFAOYSA-N 1 1 400.350 3.850 20 30 HHEDMO CCc1ccccc1NC(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000008170899 961458537 /nfs/dbraw/zinc/45/85/37/961458537.db2.gz XAJCVJDOJKUEMF-UHFFFAOYSA-N 1 1 424.570 3.960 20 30 HHEDMO CCc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000008170899 961458548 /nfs/dbraw/zinc/45/85/48/961458548.db2.gz XAJCVJDOJKUEMF-UHFFFAOYSA-N 1 1 424.570 3.960 20 30 HHEDMO CC(=O)N1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC12CCCCC2 ZINC000537708536 1013274506 /nfs/dbraw/zinc/27/45/06/1013274506.db2.gz MCQXWMPOLJOEOH-UHFFFAOYSA-N 1 1 405.546 3.831 20 30 HHEDMO C[N@@H+](CCOc1ccccc1F)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000015046410 962642975 /nfs/dbraw/zinc/64/29/75/962642975.db2.gz HHYDHEZYWYUJKJ-UHFFFAOYSA-N 1 1 401.507 3.977 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015057211 962643401 /nfs/dbraw/zinc/64/34/01/962643401.db2.gz IQOTYYOUJPFUHS-HNNXBMFYSA-N 1 1 410.905 3.889 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000542420234 1013371854 /nfs/dbraw/zinc/37/18/54/1013371854.db2.gz YPDUUFCWGCEKMC-WIYYLYMNSA-N 1 1 422.529 3.758 20 30 HHEDMO Cc1sc2nc([C@@H](C)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)[nH]c(=O)c2c1C ZINC000021405053 963461035 /nfs/dbraw/zinc/46/10/35/963461035.db2.gz IQUHUPFXIIKZEB-MRXNPFEDSA-N 1 1 421.570 3.742 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nc4c5ccccc5oc4c(=O)[nH]3)CC2)cc1 ZINC000021405551 963461068 /nfs/dbraw/zinc/46/10/68/963461068.db2.gz CTWNCBPBXHDEMU-UHFFFAOYSA-N 1 1 413.481 3.661 20 30 HHEDMO N#CCCN(C(=O)CN1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000022808730 963720738 /nfs/dbraw/zinc/72/07/38/963720738.db2.gz MZWBTPPTTBKVEZ-UHFFFAOYSA-N 1 1 410.949 3.795 20 30 HHEDMO CC(C)([C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000542519374 1013463786 /nfs/dbraw/zinc/46/37/86/1013463786.db2.gz DZYIWYQUSOXWSY-QFIPXVFZSA-N 1 1 412.484 3.980 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000542531727 1013475116 /nfs/dbraw/zinc/47/51/16/1013475116.db2.gz KTHZKXWAAPDUAA-PMACEKPBSA-N 1 1 412.578 3.575 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000542531734 1013475185 /nfs/dbraw/zinc/47/51/85/1013475185.db2.gz KTHZKXWAAPDUAA-VQTJNVASSA-N 1 1 412.578 3.575 20 30 HHEDMO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000025184480 964202164 /nfs/dbraw/zinc/20/21/64/964202164.db2.gz UUQIGJVAMMMBPB-UHFFFAOYSA-N 1 1 408.527 3.505 20 30 HHEDMO COc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000050091158 964264589 /nfs/dbraw/zinc/26/45/89/964264589.db2.gz PVYTZIRVJYBARR-UHFFFAOYSA-N 1 1 400.429 3.631 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000051050091 964450606 /nfs/dbraw/zinc/45/06/06/964450606.db2.gz DJYVZEDPSMEOMX-GJZGRUSLSA-N 1 1 418.563 3.910 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000051050091 964450612 /nfs/dbraw/zinc/45/06/12/964450612.db2.gz DJYVZEDPSMEOMX-GJZGRUSLSA-N 1 1 418.563 3.910 20 30 HHEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000051050085 964450819 /nfs/dbraw/zinc/45/08/19/964450819.db2.gz DJYVZEDPSMEOMX-HUUCEWRRSA-N 1 1 418.563 3.910 20 30 HHEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000051050085 964450820 /nfs/dbraw/zinc/45/08/20/964450820.db2.gz DJYVZEDPSMEOMX-HUUCEWRRSA-N 1 1 418.563 3.910 20 30 HHEDMO COc1ccc(Br)cc1C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000026225282 964492916 /nfs/dbraw/zinc/49/29/16/964492916.db2.gz ZBOMCIFXULYRNT-UHFFFAOYSA-N 1 1 402.292 3.790 20 30 HHEDMO C#Cc1cccc(NC(=O)CNc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)c1 ZINC000052473214 964915671 /nfs/dbraw/zinc/91/56/71/964915671.db2.gz AHHCDJCTKNHRBK-UHFFFAOYSA-N 1 1 419.554 3.936 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000027564087 964919068 /nfs/dbraw/zinc/91/90/68/964919068.db2.gz WAHBDFSPSWWUKI-OAHLLOKOSA-N 1 1 422.312 3.565 20 30 HHEDMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000027564087 964919071 /nfs/dbraw/zinc/91/90/71/964919071.db2.gz WAHBDFSPSWWUKI-OAHLLOKOSA-N 1 1 422.312 3.565 20 30 HHEDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801151 964988346 /nfs/dbraw/zinc/98/83/46/964988346.db2.gz NDXDEZVNYKUNGS-MRXNPFEDSA-N 1 1 418.457 3.790 20 30 HHEDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801151 964988348 /nfs/dbraw/zinc/98/83/48/964988348.db2.gz NDXDEZVNYKUNGS-MRXNPFEDSA-N 1 1 418.457 3.790 20 30 HHEDMO CCC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)Cc1ccc(C#N)cc1 ZINC000052826021 964994600 /nfs/dbraw/zinc/99/46/00/964994600.db2.gz WLTJNBHNFHFLPO-SFHVURJKSA-N 1 1 409.530 3.973 20 30 HHEDMO Cc1cc(C)c(C#N)c(SCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)n1 ZINC000053288612 965121555 /nfs/dbraw/zinc/12/15/55/965121555.db2.gz HKAJODHPKMOVTI-UHFFFAOYSA-N 1 1 408.571 3.705 20 30 HHEDMO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961850 965227041 /nfs/dbraw/zinc/22/70/41/965227041.db2.gz MXDKJCAGSCJJLU-DEOSSOPVSA-N 1 1 404.558 3.676 20 30 HHEDMO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961850 965227050 /nfs/dbraw/zinc/22/70/50/965227050.db2.gz MXDKJCAGSCJJLU-DEOSSOPVSA-N 1 1 404.558 3.676 20 30 HHEDMO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028961850 965227057 /nfs/dbraw/zinc/22/70/57/965227057.db2.gz MXDKJCAGSCJJLU-DEOSSOPVSA-N 1 1 404.558 3.676 20 30 HHEDMO N#Cc1ccc(F)c(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000053907125 965311558 /nfs/dbraw/zinc/31/15/58/965311558.db2.gz HZJNSMDZFOYSBB-UHFFFAOYSA-N 1 1 411.506 3.559 20 30 HHEDMO Cn1nc(CCC[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1-c1ccc(F)cc1 ZINC000054392940 965500919 /nfs/dbraw/zinc/50/09/19/965500919.db2.gz LWIIQDVEEGOFKS-UHFFFAOYSA-N 1 1 405.477 3.601 20 30 HHEDMO C[C@@H]1C[N@@H+](CCOC2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)C[C@H](C)O1 ZINC000538005050 1013578536 /nfs/dbraw/zinc/57/85/36/1013578536.db2.gz SDLRQDVYPWYXHT-IYBDPMFKSA-N 1 1 411.468 3.672 20 30 HHEDMO C[C@@H]1C[N@H+](CCOC2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)C[C@H](C)O1 ZINC000538005050 1013578542 /nfs/dbraw/zinc/57/85/42/1013578542.db2.gz SDLRQDVYPWYXHT-IYBDPMFKSA-N 1 1 411.468 3.672 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000058580536 965793059 /nfs/dbraw/zinc/79/30/59/965793059.db2.gz FDLGYAPWLDWTMM-HSZRJFAPSA-N 1 1 401.510 3.663 20 30 HHEDMO Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055452072 965868621 /nfs/dbraw/zinc/86/86/21/965868621.db2.gz NTTNKCSBFGKANT-UHFFFAOYSA-N 1 1 414.509 3.799 20 30 HHEDMO Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055452072 965868634 /nfs/dbraw/zinc/86/86/34/965868634.db2.gz NTTNKCSBFGKANT-UHFFFAOYSA-N 1 1 414.509 3.799 20 30 HHEDMO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000060330063 966091986 /nfs/dbraw/zinc/09/19/86/966091986.db2.gz XHUVQIFEECONED-INIZCTEOSA-N 1 1 422.554 3.958 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccccc3C(F)(F)F)CC2)cc1 ZINC000032299245 966214684 /nfs/dbraw/zinc/21/46/84/966214684.db2.gz CHPKZCOACBLYRF-UHFFFAOYSA-N 1 1 417.431 3.690 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccccc3C(F)(F)F)CC2)cc1 ZINC000032299245 966214695 /nfs/dbraw/zinc/21/46/95/966214695.db2.gz CHPKZCOACBLYRF-UHFFFAOYSA-N 1 1 417.431 3.690 20 30 HHEDMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000553818403 1013635112 /nfs/dbraw/zinc/63/51/12/1013635112.db2.gz ODSMPHIKVJUGBW-KRWDZBQOSA-N 1 1 407.514 3.726 20 30 HHEDMO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000553818403 1013635119 /nfs/dbraw/zinc/63/51/19/1013635119.db2.gz ODSMPHIKVJUGBW-KRWDZBQOSA-N 1 1 407.514 3.726 20 30 HHEDMO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000032833439 966334095 /nfs/dbraw/zinc/33/40/95/966334095.db2.gz CERYAPWMBYJLRX-JPYJTQIMSA-N 1 1 416.525 3.501 20 30 HHEDMO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000032833439 966334106 /nfs/dbraw/zinc/33/41/06/966334106.db2.gz CERYAPWMBYJLRX-JPYJTQIMSA-N 1 1 416.525 3.501 20 30 HHEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000033230961 966399988 /nfs/dbraw/zinc/39/99/88/966399988.db2.gz QAZSNMZSONUWDZ-OALUTQOASA-N 1 1 421.541 3.755 20 30 HHEDMO CC(C)C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[NH+]1CCOCC1 ZINC000033244152 966404397 /nfs/dbraw/zinc/40/43/97/966404397.db2.gz UCFJUJRLOAJMSJ-HSZRJFAPSA-N 1 1 421.541 3.614 20 30 HHEDMO C[C@H](NC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000041523280 966587513 /nfs/dbraw/zinc/58/75/13/966587513.db2.gz WOSWHSYDEHMIPB-OTWHNJEPSA-N 1 1 406.530 3.728 20 30 HHEDMO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000041523280 966587517 /nfs/dbraw/zinc/58/75/17/966587517.db2.gz WOSWHSYDEHMIPB-OTWHNJEPSA-N 1 1 406.530 3.728 20 30 HHEDMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000062067791 966609248 /nfs/dbraw/zinc/60/92/48/966609248.db2.gz WOSWHSYDEHMIPB-CEXWTWQISA-N 1 1 406.530 3.728 20 30 HHEDMO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000062067791 966609253 /nfs/dbraw/zinc/60/92/53/966609253.db2.gz WOSWHSYDEHMIPB-CEXWTWQISA-N 1 1 406.530 3.728 20 30 HHEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000062156222 966619897 /nfs/dbraw/zinc/61/98/97/966619897.db2.gz GNKPLEPIDSECCI-LJQANCHMSA-N 1 1 423.582 3.715 20 30 HHEDMO COc1ccc(CC[C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000062932589 966745141 /nfs/dbraw/zinc/74/51/41/966745141.db2.gz LTFDRZHLYNPBJC-HXUWFJFHSA-N 1 1 420.557 3.805 20 30 HHEDMO CSc1cccc(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000042643469 966818989 /nfs/dbraw/zinc/81/89/89/966818989.db2.gz JVCWDQNPPPTQKH-SFHVURJKSA-N 1 1 408.571 3.815 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 ZINC000043851364 967053722 /nfs/dbraw/zinc/05/37/22/967053722.db2.gz DLJPEWMTWXLJEB-UHFFFAOYSA-N 1 1 414.412 3.620 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(NC(=O)C4CC4)c3)CC2)cc1 ZINC000044102274 967124168 /nfs/dbraw/zinc/12/41/68/967124168.db2.gz XOCXJCRGUUNVIT-UHFFFAOYSA-N 1 1 417.513 3.647 20 30 HHEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000065252676 967417455 /nfs/dbraw/zinc/41/74/55/967417455.db2.gz NJVPABLPUPARJO-RTBURBONSA-N 1 1 408.546 3.754 20 30 HHEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000065252676 967417462 /nfs/dbraw/zinc/41/74/62/967417462.db2.gz NJVPABLPUPARJO-RTBURBONSA-N 1 1 408.546 3.754 20 30 HHEDMO C=CCn1c(Cc2ccccc2)nnc1SC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000065510857 967499118 /nfs/dbraw/zinc/49/91/18/967499118.db2.gz QHDCFHHTXZMWDM-QFIPXVFZSA-N 1 1 420.582 3.566 20 30 HHEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000538180077 1013739157 /nfs/dbraw/zinc/73/91/57/1013739157.db2.gz LELNZRQIPSZRDS-GFCCVEGCSA-N 1 1 403.276 3.951 20 30 HHEDMO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529766 967842471 /nfs/dbraw/zinc/84/24/71/967842471.db2.gz QNWFIUDWQOENMO-HNNXBMFYSA-N 1 1 400.320 3.800 20 30 HHEDMO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529766 967842483 /nfs/dbraw/zinc/84/24/83/967842483.db2.gz QNWFIUDWQOENMO-HNNXBMFYSA-N 1 1 400.320 3.800 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529536 967842858 /nfs/dbraw/zinc/84/28/58/967842858.db2.gz DCMBQVVLLGYGSD-CYBMUJFWSA-N 1 1 419.266 3.622 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529536 967842873 /nfs/dbraw/zinc/84/28/73/967842873.db2.gz DCMBQVVLLGYGSD-CYBMUJFWSA-N 1 1 419.266 3.622 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3ccc(Cl)s3)CC2)cc1 ZINC000047144245 968067703 /nfs/dbraw/zinc/06/77/03/968067703.db2.gz KEGMAFNKHFZLEF-UHFFFAOYSA-N 1 1 402.951 3.733 20 30 HHEDMO CC(C)[N@H+](Cc1ccc(NC(=O)CNc2ccc(C#N)cn2)cc1)C[C@@H]1CCCCO1 ZINC000538219723 1013771120 /nfs/dbraw/zinc/77/11/20/1013771120.db2.gz UDYRHFMFKOICCI-QFIPXVFZSA-N 1 1 421.545 3.783 20 30 HHEDMO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc(F)c(F)c1 ZINC000538224258 1013773995 /nfs/dbraw/zinc/77/39/95/1013773995.db2.gz RXPKYILLWNWTFD-NRFANRHFSA-N 1 1 401.457 3.806 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(-n4cccn4)c(F)c3)CC2)cc1 ZINC000047767899 968306543 /nfs/dbraw/zinc/30/65/43/968306543.db2.gz YILLIOOVRBJWIJ-UHFFFAOYSA-N 1 1 418.476 3.623 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000048126081 968443446 /nfs/dbraw/zinc/44/34/46/968443446.db2.gz GDTAMIHTBKXZEM-QGZVFWFLSA-N 1 1 405.502 3.806 20 30 HHEDMO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)c1 ZINC000078551180 969003160 /nfs/dbraw/zinc/00/31/60/969003160.db2.gz MEVJYBHOOJKTBB-UHFFFAOYSA-N 1 1 405.420 3.916 20 30 HHEDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)cc1 ZINC000097494650 969147469 /nfs/dbraw/zinc/14/74/69/969147469.db2.gz QSGRZKNOTATJRE-OAQYLSRUSA-N 1 1 420.557 3.851 20 30 HHEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1C ZINC000108980697 969443743 /nfs/dbraw/zinc/44/37/43/969443743.db2.gz KCXYXRVEJHSTAG-UHFFFAOYSA-N 1 1 424.570 3.506 20 30 HHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1I ZINC000109356408 969505131 /nfs/dbraw/zinc/50/51/31/969505131.db2.gz JJEOERBTZOTYST-UHFFFAOYSA-N 1 1 420.294 3.960 20 30 HHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1I ZINC000109356408 969505135 /nfs/dbraw/zinc/50/51/35/969505135.db2.gz JJEOERBTZOTYST-UHFFFAOYSA-N 1 1 420.294 3.960 20 30 HHEDMO COc1cc(NC(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc(OC)c1OC ZINC000110478849 969675973 /nfs/dbraw/zinc/67/59/73/969675973.db2.gz PXPVFVVVIFEXSE-UHFFFAOYSA-N 1 1 411.502 3.823 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000110982729 969753640 /nfs/dbraw/zinc/75/36/40/969753640.db2.gz RFFNDPDRRSWINX-IBGZPJMESA-N 1 1 406.530 3.807 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000110982735 969753726 /nfs/dbraw/zinc/75/37/26/969753726.db2.gz XIJSWTMUQDFUGR-INIZCTEOSA-N 1 1 411.502 3.996 20 30 HHEDMO Cc1noc([C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)n1 ZINC000110985511 969754396 /nfs/dbraw/zinc/75/43/96/969754396.db2.gz OIJSRYDWLOEWDD-HIFRSBDPSA-N 1 1 413.547 3.644 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110987889 969754714 /nfs/dbraw/zinc/75/47/14/969754714.db2.gz BBHURZPFJAHDRT-GOSISDBHSA-N 1 1 419.460 3.956 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111039755 969764666 /nfs/dbraw/zinc/76/46/66/969764666.db2.gz NQBPOMRYTZIPEY-MRXNPFEDSA-N 1 1 405.477 3.979 20 30 HHEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000115731877 969851460 /nfs/dbraw/zinc/85/14/60/969851460.db2.gz HKAKANPLZKJLSD-OALUTQOASA-N 1 1 421.541 3.755 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000116401564 969891098 /nfs/dbraw/zinc/89/10/98/969891098.db2.gz ZYAOTJSGCTVVSS-AWEZNQCLSA-N 1 1 412.440 3.514 20 30 HHEDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000116401575 969891109 /nfs/dbraw/zinc/89/11/09/969891109.db2.gz HPYFGGSORWXJDY-GOSISDBHSA-N 1 1 404.514 3.853 20 30 HHEDMO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000195732471 969988532 /nfs/dbraw/zinc/98/85/32/969988532.db2.gz CEXOCWJUQFHMOR-UHFFFAOYSA-N 1 1 415.541 3.888 20 30 HHEDMO COc1ccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CCCCC2)cc1OC ZINC000195733019 969989636 /nfs/dbraw/zinc/98/96/36/969989636.db2.gz JHIQIGULBPHSRY-HSZRJFAPSA-N 1 1 401.551 3.893 20 30 HHEDMO C[C@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1)C1CC1 ZINC000140118281 970063854 /nfs/dbraw/zinc/06/38/54/970063854.db2.gz QRMSRJIUVCSOLF-NHCUHLMSSA-N 1 1 412.331 3.937 20 30 HHEDMO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000236949940 970193334 /nfs/dbraw/zinc/19/33/34/970193334.db2.gz PUOBBRCQPMTOBK-NRFANRHFSA-N 1 1 406.574 3.500 20 30 HHEDMO COc1ccc([C@H]([NH2+]Cc2cc(C#N)cs2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237356696 970269133 /nfs/dbraw/zinc/26/91/33/970269133.db2.gz XMGNKTITQOVDHL-NRFANRHFSA-N 1 1 412.536 3.911 20 30 HHEDMO Cc1ccc([C@H](C)NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000248171967 970517940 /nfs/dbraw/zinc/51/79/40/970517940.db2.gz XCAMZMUAIPCLAV-NRFANRHFSA-N 1 1 404.558 3.560 20 30 HHEDMO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000248171967 970517955 /nfs/dbraw/zinc/51/79/55/970517955.db2.gz XCAMZMUAIPCLAV-NRFANRHFSA-N 1 1 404.558 3.560 20 30 HHEDMO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000248171967 970517960 /nfs/dbraw/zinc/51/79/60/970517960.db2.gz XCAMZMUAIPCLAV-NRFANRHFSA-N 1 1 404.558 3.560 20 30 HHEDMO O=C(C[NH+]1CCC(OC2CCCCC2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000261385043 970641502 /nfs/dbraw/zinc/64/15/02/970641502.db2.gz VHXFTPNOYPVZDZ-UHFFFAOYSA-N 1 1 422.491 3.987 20 30 HHEDMO COc1cccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)C2CCC(O)CC2)c1 ZINC000261441684 970684258 /nfs/dbraw/zinc/68/42/58/970684258.db2.gz QBRCAIQMRRDCKE-UHFFFAOYSA-N 1 1 407.514 3.701 20 30 HHEDMO CC[N@H+]1C[C@H](C)N(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@@H]1C ZINC000554738594 1014035311 /nfs/dbraw/zinc/03/53/11/1014035311.db2.gz PDZNRHIPAYOBKH-IRXDYDNUSA-N 1 1 402.970 3.759 20 30 HHEDMO C[C@H]1C[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379703627 972772373 /nfs/dbraw/zinc/77/23/73/972772373.db2.gz FYXSSCKRLLLQIA-MAUKXSAKSA-N 1 1 403.935 3.543 20 30 HHEDMO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(c1ccc(C(F)(F)F)c(C#N)n1)CC2 ZINC000409642905 973093005 /nfs/dbraw/zinc/09/30/05/973093005.db2.gz BMRIZOKBLXMNLL-OAHLLOKOSA-N 1 1 407.465 3.919 20 30 HHEDMO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(c1ccc(C(F)(F)F)c(C#N)n1)CC2 ZINC000409642905 973093015 /nfs/dbraw/zinc/09/30/15/973093015.db2.gz BMRIZOKBLXMNLL-OAHLLOKOSA-N 1 1 407.465 3.919 20 30 HHEDMO N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)C1=O ZINC000409846159 973314264 /nfs/dbraw/zinc/31/42/64/973314264.db2.gz YCDXKAOVBUVFKU-CABCVRRESA-N 1 1 418.316 3.601 20 30 HHEDMO C=CCN1CC[C@@H]([N@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)C1=O ZINC000410347127 973936509 /nfs/dbraw/zinc/93/65/09/973936509.db2.gz YUYRRMBMYPTMLM-JOCHJYFZSA-N 1 1 414.933 3.500 20 30 HHEDMO C=CCN1CC[C@@H]([N@@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)C1=O ZINC000410347127 973936515 /nfs/dbraw/zinc/93/65/15/973936515.db2.gz YUYRRMBMYPTMLM-JOCHJYFZSA-N 1 1 414.933 3.500 20 30 HHEDMO CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425968680 974073531 /nfs/dbraw/zinc/07/35/31/974073531.db2.gz VBPISBWKRXGYNL-QFIPXVFZSA-N 1 1 402.460 3.626 20 30 HHEDMO N#Cc1ccc(NC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000426125600 974248480 /nfs/dbraw/zinc/24/84/80/974248480.db2.gz BFHHDGLOHALTKB-UHFFFAOYSA-N 1 1 411.937 3.541 20 30 HHEDMO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000426475909 974472777 /nfs/dbraw/zinc/47/27/77/974472777.db2.gz NNBLAAIYRDCYOY-VWLOTQADSA-N 1 1 420.557 3.651 20 30 HHEDMO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000426475909 974472782 /nfs/dbraw/zinc/47/27/82/974472782.db2.gz NNBLAAIYRDCYOY-VWLOTQADSA-N 1 1 420.557 3.651 20 30 HHEDMO COc1cccc([C@@H](C)[NH+]2CCN(CC(=O)Nc3sc(C)c(C)c3C#N)CC2)c1 ZINC000427001395 974814273 /nfs/dbraw/zinc/81/42/73/974814273.db2.gz SJGDQXZMOZCUOX-MRXNPFEDSA-N 1 1 412.559 3.563 20 30 HHEDMO CC[N@@H+](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)CCC(F)(F)F ZINC000427287864 975025954 /nfs/dbraw/zinc/02/59/54/975025954.db2.gz MUOPCGGEPSFXIS-UHFFFAOYSA-N 1 1 406.408 3.750 20 30 HHEDMO C=CC[N@H+](C)Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2OC)c(OC)c1 ZINC000428382784 975704342 /nfs/dbraw/zinc/70/43/42/975704342.db2.gz SGPPRZQFGUXCFO-UHFFFAOYSA-N 1 1 404.894 3.993 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C2)nc1 ZINC000428793617 976069540 /nfs/dbraw/zinc/06/95/40/976069540.db2.gz ZPLCBHZMAFGGIZ-QFIPXVFZSA-N 1 1 424.504 3.870 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C2)nc1 ZINC000428793617 976069553 /nfs/dbraw/zinc/06/95/53/976069553.db2.gz ZPLCBHZMAFGGIZ-QFIPXVFZSA-N 1 1 424.504 3.870 20 30 HHEDMO CCN(C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccc2ccccc21 ZINC000428811429 976090931 /nfs/dbraw/zinc/09/09/31/976090931.db2.gz ZQRCSVLSBUHLLI-FQEVSTJZSA-N 1 1 400.482 3.613 20 30 HHEDMO CCN(C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccc2ccccc21 ZINC000428811429 976090942 /nfs/dbraw/zinc/09/09/42/976090942.db2.gz ZQRCSVLSBUHLLI-FQEVSTJZSA-N 1 1 400.482 3.613 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428995653 976276263 /nfs/dbraw/zinc/27/62/63/976276263.db2.gz CTOSQEVECSNMJL-WOCWXWTJSA-N 1 1 414.619 3.878 20 30 HHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429004023 976284280 /nfs/dbraw/zinc/28/42/80/976284280.db2.gz QHVRNWRKPFYSLK-DEOSSOPVSA-N 1 1 420.557 3.771 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1C#N ZINC000429014326 976295513 /nfs/dbraw/zinc/29/55/13/976295513.db2.gz YDYBZDPDLDFMDZ-PNLZDCPESA-N 1 1 411.594 3.692 20 30 HHEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429036523 976320355 /nfs/dbraw/zinc/32/03/55/976320355.db2.gz SVEGBTIZIGWNSV-QFIPXVFZSA-N 1 1 406.530 3.900 20 30 HHEDMO C=CCC[C@H](NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000429074577 976358366 /nfs/dbraw/zinc/35/83/66/976358366.db2.gz OFXKDMJNSQERNP-QHCPKHFHSA-N 1 1 407.562 3.600 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[N@H+](C4CCC4)C[C@H](C)C3)sc2C1 ZINC000429383554 976656479 /nfs/dbraw/zinc/65/64/79/976656479.db2.gz RADNMCIDPWHQFJ-IAGOWNOFSA-N 1 1 414.619 3.879 20 30 HHEDMO C=CCn1c(SC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nnc1-c1ccncc1 ZINC000430097765 977317802 /nfs/dbraw/zinc/31/78/02/977317802.db2.gz BZYQYVOJFUMMGG-OAQYLSRUSA-N 1 1 421.570 3.909 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)nc1 ZINC000430171335 977366771 /nfs/dbraw/zinc/36/67/71/977366771.db2.gz SRGLTXBCAFBGED-SFHVURJKSA-N 1 1 413.403 3.811 20 30 HHEDMO CN(C(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1)c1ccccc1 ZINC000430306698 977465910 /nfs/dbraw/zinc/46/59/10/977465910.db2.gz RACMWUANYFAJKG-QGZVFWFLSA-N 1 1 410.905 3.525 20 30 HHEDMO CN(C(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000430588947 977646320 /nfs/dbraw/zinc/64/63/20/977646320.db2.gz BIRZNWZDOWETBU-HXUWFJFHSA-N 1 1 422.554 3.721 20 30 HHEDMO C[N@H+](CC(=O)NCC#N)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000430778355 977751710 /nfs/dbraw/zinc/75/17/10/977751710.db2.gz QXNQTABYHXMKCD-GOSISDBHSA-N 1 1 406.711 3.763 20 30 HHEDMO C[N@@H+](CC(=O)NCC#N)[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000430778355 977751715 /nfs/dbraw/zinc/75/17/15/977751715.db2.gz QXNQTABYHXMKCD-GOSISDBHSA-N 1 1 406.711 3.763 20 30 HHEDMO C=CCN1C(=O)N(C[C@@H](C)[N@@H+]2CCc3sccc3C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430940703 977903589 /nfs/dbraw/zinc/90/35/89/977903589.db2.gz QMDPPUMLACQOIV-XLIONFOSSA-N 1 1 409.555 3.556 20 30 HHEDMO C=CCN1C(=O)N(C[C@@H](C)[N@H+]2CCc3sccc3C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430940703 977903594 /nfs/dbraw/zinc/90/35/94/977903594.db2.gz QMDPPUMLACQOIV-XLIONFOSSA-N 1 1 409.555 3.556 20 30 HHEDMO C=CCN1C(=O)N(C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431071401 978002805 /nfs/dbraw/zinc/00/28/05/978002805.db2.gz PHEPFJZLISAPQV-RPWUZVMVSA-N 1 1 417.553 3.613 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](Oc4ccncc4)C3)sc2C1 ZINC000431610384 978383030 /nfs/dbraw/zinc/38/30/30/978383030.db2.gz PXSRRPKXSLUTLK-WBVHZDCISA-N 1 1 410.543 3.621 20 30 HHEDMO N#CCCC[C@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000431703271 978446795 /nfs/dbraw/zinc/44/67/95/978446795.db2.gz QIJWCWPKQHBSMA-FCHUYYIVSA-N 1 1 419.529 3.693 20 30 HHEDMO N#CCCC[C@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000431703271 978446797 /nfs/dbraw/zinc/44/67/97/978446797.db2.gz QIJWCWPKQHBSMA-FCHUYYIVSA-N 1 1 419.529 3.693 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H](O)Cc1ccccc1 ZINC000433072790 979058606 /nfs/dbraw/zinc/05/86/06/979058606.db2.gz QAPSZFXWFZOVPW-SFHVURJKSA-N 1 1 411.571 3.753 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCCSC1 ZINC000433187684 979128991 /nfs/dbraw/zinc/12/89/91/979128991.db2.gz KDYHEKJZRHAZCB-IBGZPJMESA-N 1 1 418.607 3.874 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCCSC1 ZINC000433187684 979128994 /nfs/dbraw/zinc/12/89/94/979128994.db2.gz KDYHEKJZRHAZCB-IBGZPJMESA-N 1 1 418.607 3.874 20 30 HHEDMO N#CCCn1cc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000434833740 980430985 /nfs/dbraw/zinc/43/09/85/980430985.db2.gz MCLCSCUJZTUCMS-YWEYNIOJSA-N 1 1 412.541 3.690 20 30 HHEDMO N#CCCn1cc(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000434833740 980430989 /nfs/dbraw/zinc/43/09/89/980430989.db2.gz MCLCSCUJZTUCMS-YWEYNIOJSA-N 1 1 412.541 3.690 20 30 HHEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)cc(C)c1C)C(C)C ZINC000435065369 980609102 /nfs/dbraw/zinc/60/91/02/980609102.db2.gz QNBWOGIUOUKZRU-HXUWFJFHSA-N 1 1 407.580 3.527 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1)CC(F)(F)F ZINC000435129835 980660374 /nfs/dbraw/zinc/66/03/74/980660374.db2.gz OLEMBHZJRMQFAY-KRWDZBQOSA-N 1 1 420.483 3.565 20 30 HHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CCN(Cc2ccccc2)CC1 ZINC000435135278 980666553 /nfs/dbraw/zinc/66/65/53/980666553.db2.gz NYZVGBYOCQANBO-UHFFFAOYSA-N 1 1 414.557 3.955 20 30 HHEDMO CN(Cc1cn(CCC#N)nc1-c1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000435135278 980666560 /nfs/dbraw/zinc/66/65/60/980666560.db2.gz NYZVGBYOCQANBO-UHFFFAOYSA-N 1 1 414.557 3.955 20 30 HHEDMO N#CCCn1cc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c(-c2ccncc2)n1 ZINC000435136698 980667988 /nfs/dbraw/zinc/66/79/88/980667988.db2.gz GHYQNDQMAAXOEW-UHFFFAOYSA-N 1 1 409.921 3.897 20 30 HHEDMO CC(C)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000435420730 980854077 /nfs/dbraw/zinc/85/40/77/980854077.db2.gz FRTMAOYDJYVBKF-HSZRJFAPSA-N 1 1 405.546 3.610 20 30 HHEDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000436453086 981381538 /nfs/dbraw/zinc/38/15/38/981381538.db2.gz NYVQUDNMTSKNLR-UHFFFAOYSA-N 1 1 421.888 3.700 20 30 HHEDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000448261637 981660322 /nfs/dbraw/zinc/66/03/22/981660322.db2.gz QQIQVSCMVGLTLW-UHFFFAOYSA-N 1 1 414.509 3.966 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000460134111 981908636 /nfs/dbraw/zinc/90/86/36/981908636.db2.gz MGQSBJRQQDHBAD-JOCHJYFZSA-N 1 1 406.530 3.731 20 30 HHEDMO Cc1ccc([C@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437348468 981998696 /nfs/dbraw/zinc/99/86/96/981998696.db2.gz QDGGFLZGQINYES-PGRDOPGGSA-N 1 1 400.544 3.942 20 30 HHEDMO C=CCOc1ccc(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1OC ZINC000437352572 982002200 /nfs/dbraw/zinc/00/22/00/982002200.db2.gz NTZYQXTUUYWBEJ-VGSWGCGISA-N 1 1 403.544 3.832 20 30 HHEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c1 ZINC000437356400 982005472 /nfs/dbraw/zinc/00/54/72/982005472.db2.gz QNVXMKBPNUKVCZ-PKTZIBPZSA-N 1 1 417.509 3.519 20 30 HHEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c1 ZINC000437356400 982005480 /nfs/dbraw/zinc/00/54/80/982005480.db2.gz QNVXMKBPNUKVCZ-PKTZIBPZSA-N 1 1 417.509 3.519 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c(OC(F)F)c1 ZINC000437433415 982072034 /nfs/dbraw/zinc/07/20/34/982072034.db2.gz ZBXWXLYVDIPOHJ-UHFFFAOYSA-N 1 1 403.404 3.693 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000460353954 982127295 /nfs/dbraw/zinc/12/72/95/982127295.db2.gz HZPABFCFDPZXMZ-CYGODWOOSA-N 1 1 401.514 3.854 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460376929 982154741 /nfs/dbraw/zinc/15/47/41/982154741.db2.gz WBITUXJJLIOIQD-LJQANCHMSA-N 1 1 409.578 3.773 20 30 HHEDMO CCc1nsc(N2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000437581324 982210141 /nfs/dbraw/zinc/21/01/41/982210141.db2.gz TUCKWPKIMFZDQW-UHFFFAOYSA-N 1 1 410.465 3.563 20 30 HHEDMO CCc1nsc(N2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000437581324 982210146 /nfs/dbraw/zinc/21/01/46/982210146.db2.gz TUCKWPKIMFZDQW-UHFFFAOYSA-N 1 1 410.465 3.563 20 30 HHEDMO CN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460441439 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SOCRBQDFMOXCRE-VFNWGFHPSA-N 1 1 408.571 3.607 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000462252686 985236502 /nfs/dbraw/zinc/23/65/02/985236502.db2.gz CJBRSTZKMOXECI-KBXCAEBGSA-N 1 1 400.429 3.802 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443130681 985395182 /nfs/dbraw/zinc/39/51/82/985395182.db2.gz NQXFKHXTMQGPKC-UZLBHIALSA-N 1 1 417.962 3.885 20 30 HHEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000462462102 985422374 /nfs/dbraw/zinc/42/23/74/985422374.db2.gz BFXQTVOVEOYNSZ-MSOLQXFVSA-N 1 1 414.550 3.901 20 30 HHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000462467909 985426671 /nfs/dbraw/zinc/42/66/71/985426671.db2.gz WNEITBSBMNFELX-INIZCTEOSA-N 1 1 400.573 3.681 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443491137 985665796 /nfs/dbraw/zinc/66/57/96/985665796.db2.gz POBCSRSGXOROOP-INIZCTEOSA-N 1 1 409.983 3.877 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccn(-c4c(F)cccc4F)n3)CC2)cc1 ZINC000443676662 985887425 /nfs/dbraw/zinc/88/74/25/985887425.db2.gz WSARFRXVKHZDTO-UHFFFAOYSA-N 1 1 407.468 3.730 20 30 HHEDMO CC[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@H+]1CCc2ccccc2C1 ZINC000468255576 985955857 /nfs/dbraw/zinc/95/58/57/985955857.db2.gz PIKKWLQYJZRRKG-OAQYLSRUSA-N 1 1 400.482 3.780 20 30 HHEDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000443902043 986099225 /nfs/dbraw/zinc/09/92/25/986099225.db2.gz QOPSEVMAQXLRBQ-GGAORHGYSA-N 1 1 409.555 3.542 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC000468479531 986175174 /nfs/dbraw/zinc/17/51/74/986175174.db2.gz OWPVAIZMPAPPIT-OAQYLSRUSA-N 1 1 407.562 3.931 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(OC)c1 ZINC000463217739 986189235 /nfs/dbraw/zinc/18/92/35/986189235.db2.gz GEHQNPIVSFHNKG-GXRSIYKFSA-N 1 1 403.563 3.569 20 30 HHEDMO COC(=O)c1ccccc1CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000463228735 986197598 /nfs/dbraw/zinc/19/75/98/986197598.db2.gz LDWMABBRDAMXCF-QGZVFWFLSA-N 1 1 405.498 3.627 20 30 HHEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463357635 986323465 /nfs/dbraw/zinc/32/34/65/986323465.db2.gz BNXAYPXSXJOLKU-AWEZNQCLSA-N 1 1 419.319 3.941 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@](CO)(c4ccccc4)C3)sc2C1 ZINC000463429436 986399860 /nfs/dbraw/zinc/39/98/60/986399860.db2.gz JLJJDGGSAMKOBW-OSPHWJPCSA-N 1 1 423.582 3.709 20 30 HHEDMO C[C@@H]1C[NH+](CCOC2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000463663446 986644931 /nfs/dbraw/zinc/64/49/31/986644931.db2.gz IHAHYUCBTXMAJM-HZPDHXFCSA-N 1 1 411.468 3.672 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000463691390 986674401 /nfs/dbraw/zinc/67/44/01/986674401.db2.gz RBDRVVRQPNWYQO-LADGPHEKSA-N 1 1 422.525 3.976 20 30 HHEDMO N#Cc1cccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)on2)c1 ZINC000468993241 986699827 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C=C(C)[C@H]([NH2+][C@@H]1CCN(c2sccc2C(=O)OC)C1=O)c1ccc(F)c(F)c1 ZINC000481593873 994441130 /nfs/dbraw/zinc/44/11/30/994441130.db2.gz FZLMODJXWDEIAE-SJORKVTESA-N 1 1 406.454 3.825 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481613401 994470233 /nfs/dbraw/zinc/47/02/33/994470233.db2.gz IUINKNVOMNONPE-LJQANCHMSA-N 1 1 409.505 3.530 20 30 HHEDMO C=C(C)[C@H](N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000481617677 994477314 /nfs/dbraw/zinc/47/73/14/994477314.db2.gz WFMQIUDVTHNFMG-NYDSKATKSA-N 1 1 413.512 3.951 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(C)Cc1cccc(OC)c1OC)c1ccc(F)c(F)c1 ZINC000481631319 994497124 /nfs/dbraw/zinc/49/71/24/994497124.db2.gz XOEHBFJLIZHRER-OAQYLSRUSA-N 1 1 404.457 3.847 20 30 HHEDMO N#Cc1ccc(C2(C(=O)Nc3ccc4c(ccn4CC[NH+]4CCOCC4)c3)CC2)cc1 ZINC000473630491 994510123 /nfs/dbraw/zinc/51/01/23/994510123.db2.gz HXGRCENLSBMYSA-UHFFFAOYSA-N 1 1 414.509 3.515 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000473673280 994562738 /nfs/dbraw/zinc/56/27/38/994562738.db2.gz DUMYXITWTMUIQY-KRWDZBQOSA-N 1 1 403.596 3.618 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(OC)c1 ZINC000481707195 994568573 /nfs/dbraw/zinc/56/85/73/994568573.db2.gz NFHBDYOABHFUGO-OFVILXPXSA-N 1 1 409.526 3.685 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)nnc1-c1ccco1 ZINC000482110683 995058355 /nfs/dbraw/zinc/05/83/55/995058355.db2.gz ZYHLRFOSJPWEAJ-IAGOWNOFSA-N 1 1 417.579 3.538 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)nnc1-c1ccco1 ZINC000482110682 995058568 /nfs/dbraw/zinc/05/85/68/995058568.db2.gz ZYHLRFOSJPWEAJ-DLBZAZTESA-N 1 1 417.579 3.538 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000474231045 995227163 /nfs/dbraw/zinc/22/71/63/995227163.db2.gz LWZAANUXRPVDKF-QHCPKHFHSA-N 1 1 404.558 3.756 20 30 HHEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000474281027 995276102 /nfs/dbraw/zinc/27/61/02/995276102.db2.gz QBVWHFYQIWJINZ-INIZCTEOSA-N 1 1 420.908 3.646 20 30 HHEDMO Cc1cccc(CC2(O)CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000482932657 995862141 /nfs/dbraw/zinc/86/21/41/995862141.db2.gz ZORJZOMLTBVMQM-OAQYLSRUSA-N 1 1 405.542 3.700 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3OCC(F)F)CC2)cc1 ZINC000475034408 995883840 /nfs/dbraw/zinc/88/38/40/995883840.db2.gz VGSNGEIWDHPTTL-UHFFFAOYSA-N 1 1 414.456 3.942 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3OCC(F)F)CC2)cc1 ZINC000475034408 995883844 /nfs/dbraw/zinc/88/38/44/995883844.db2.gz VGSNGEIWDHPTTL-UHFFFAOYSA-N 1 1 414.456 3.942 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)Cc2cnccc2C)c1C#N ZINC000482988190 995903896 /nfs/dbraw/zinc/90/38/96/995903896.db2.gz RYHGMCJENJQBND-UHFFFAOYSA-N 1 1 405.502 3.782 20 30 HHEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475083089 995910809 /nfs/dbraw/zinc/91/08/09/995910809.db2.gz HREVTAXXBBMPCH-OALUTQOASA-N 1 1 402.539 3.870 20 30 HHEDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000483034821 995933158 /nfs/dbraw/zinc/93/31/58/995933158.db2.gz HDWULEAEFBSBRM-HSZRJFAPSA-N 1 1 412.509 3.934 20 30 HHEDMO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@H]1CCC(C)(C)C1 ZINC000483125071 995990623 /nfs/dbraw/zinc/99/06/23/995990623.db2.gz RETJACVTQOQBTR-ROUUACIJSA-N 1 1 412.578 3.867 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](CC2CCC2)[C@@H](C)CO)c1C#N ZINC000483167590 996013903 /nfs/dbraw/zinc/01/39/03/996013903.db2.gz JCMODGGGSZDKPU-HNNXBMFYSA-N 1 1 412.509 3.526 20 30 HHEDMO CCN1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H]1c1ncc[nH]1 ZINC000475355488 996086709 /nfs/dbraw/zinc/08/67/09/996086709.db2.gz VTCGACAKIGOFKH-HSZRJFAPSA-N 1 1 401.514 3.739 20 30 HHEDMO C=C(C)[C@H](NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000483303932 996088658 /nfs/dbraw/zinc/08/86/58/996088658.db2.gz HXDCKOFOOWMPSS-HPNQWNLUSA-N 1 1 407.505 3.865 20 30 HHEDMO C=C(C)[C@H](NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000483303932 996088661 /nfs/dbraw/zinc/08/86/61/996088661.db2.gz HXDCKOFOOWMPSS-HPNQWNLUSA-N 1 1 407.505 3.865 20 30 HHEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000475359832 996088956 /nfs/dbraw/zinc/08/89/56/996088956.db2.gz ZGJGWPIPXCTWRE-HSZRJFAPSA-N 1 1 410.949 3.559 20 30 HHEDMO N#CCCn1cc(C[NH2+]Cc2c(F)cccc2OC(F)F)c(-c2ccncc2)n1 ZINC000475427090 996130949 /nfs/dbraw/zinc/13/09/49/996130949.db2.gz FZCDCGPPAMIDEU-UHFFFAOYSA-N 1 1 401.392 3.889 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](CCO)[C@H]2CCCSC2)cc1OC ZINC000475497860 996180945 /nfs/dbraw/zinc/18/09/45/996180945.db2.gz UCFYZVCSKNMAHI-HNNXBMFYSA-N 1 1 416.381 3.712 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](CCO)[C@@H]2CCCSC2)cc1OC ZINC000475497861 996181016 /nfs/dbraw/zinc/18/10/16/996181016.db2.gz UCFYZVCSKNMAHI-OAHLLOKOSA-N 1 1 416.381 3.712 20 30 HHEDMO N#CCCN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483494253 996216926 /nfs/dbraw/zinc/21/69/26/996216926.db2.gz WCMZBLNNZFKCLO-UKILVPOCSA-N 1 1 416.569 3.920 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000475573401 996225979 /nfs/dbraw/zinc/22/59/79/996225979.db2.gz SHCXKIHUGQOASS-LJQANCHMSA-N 1 1 403.592 3.954 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475736680 996335935 /nfs/dbraw/zinc/33/59/35/996335935.db2.gz BJXPTJLQLFLYHV-QPPBQGQZSA-N 1 1 408.590 3.706 20 30 HHEDMO N#CC1(CS(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCCC1 ZINC000476340526 996765622 /nfs/dbraw/zinc/76/56/22/996765622.db2.gz TUHXKMKLRSRKGF-HSZRJFAPSA-N 1 1 415.603 3.778 20 30 HHEDMO CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000476469462 996946238 /nfs/dbraw/zinc/94/62/38/996946238.db2.gz HEOPGGGSPQINLA-GMKZXUHWSA-N 1 1 410.606 3.870 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C[C@@H]1CC=CCC1 ZINC000485107041 997487634 /nfs/dbraw/zinc/48/76/34/997487634.db2.gz MIFHYCLEBAXSHZ-HXUWFJFHSA-N 1 1 424.545 3.861 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000477103017 997756202 /nfs/dbraw/zinc/75/62/02/997756202.db2.gz UYMQXQCUFIXKAV-INIZCTEOSA-N 1 1 409.983 3.877 20 30 HHEDMO N#Cc1cccc(NC(=O)CCN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000485351932 997773828 /nfs/dbraw/zinc/77/38/28/997773828.db2.gz SKLLOKFPUHKQSX-ISKFKSNPSA-N 1 1 402.542 3.873 20 30 HHEDMO N#Cc1cccc(NC(=O)CCN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000485351932 997773840 /nfs/dbraw/zinc/77/38/40/997773840.db2.gz SKLLOKFPUHKQSX-ISKFKSNPSA-N 1 1 402.542 3.873 20 30 HHEDMO CCn1ncc2ccc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000477416849 998102663 /nfs/dbraw/zinc/10/26/63/998102663.db2.gz JVMYPHWMJKCENS-UHFFFAOYSA-N 1 1 402.502 3.668 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000485729611 998201357 /nfs/dbraw/zinc/20/13/57/998201357.db2.gz FDJRVNYSMHHNLX-CYBMUJFWSA-N 1 1 413.356 3.758 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000485729611 998201367 /nfs/dbraw/zinc/20/13/67/998201367.db2.gz FDJRVNYSMHHNLX-CYBMUJFWSA-N 1 1 413.356 3.758 20 30 HHEDMO C[N@H+]1CC[C@@H](CNC(=O)CNc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477485259 998206184 /nfs/dbraw/zinc/20/61/84/998206184.db2.gz OUAUGCWMYDYRGB-KKSFZXQISA-N 1 1 400.885 3.572 20 30 HHEDMO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)c1 ZINC000477536717 998256094 /nfs/dbraw/zinc/25/60/94/998256094.db2.gz LXLZRRUWZGSWLV-UHFFFAOYSA-N 1 1 405.498 3.738 20 30 HHEDMO CCN(C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1)CC(F)(F)F ZINC000477713452 998434675 /nfs/dbraw/zinc/43/46/75/998434675.db2.gz DPEGGOFGOHQRHK-NNVNDSJASA-N 1 1 416.532 3.512 20 30 HHEDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)CCO1 ZINC000477734213 998469481 /nfs/dbraw/zinc/46/94/81/998469481.db2.gz OPHUGPGEWJGFAA-SFHVURJKSA-N 1 1 405.498 3.676 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1)CC(F)(F)F ZINC000477745557 998487311 /nfs/dbraw/zinc/48/73/11/998487311.db2.gz REQPQPPDPUFFBW-IBGZPJMESA-N 1 1 424.511 3.756 20 30 HHEDMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000486063991 998511876 /nfs/dbraw/zinc/51/18/76/998511876.db2.gz AVVVELIUFVGAQT-GOSISDBHSA-N 1 1 417.575 3.570 20 30 HHEDMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000486063991 998511886 /nfs/dbraw/zinc/51/18/86/998511886.db2.gz AVVVELIUFVGAQT-GOSISDBHSA-N 1 1 417.575 3.570 20 30 HHEDMO C=CCSc1ccccc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000486238986 998668695 /nfs/dbraw/zinc/66/86/95/998668695.db2.gz GJOPYEOJAGVLAZ-GOSISDBHSA-N 1 1 409.555 3.914 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(F)cccc3Br)CC2)cc1 ZINC000486625683 998863798 /nfs/dbraw/zinc/86/37/98/998863798.db2.gz PWOSOODQOCLNDH-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(F)cccc3Br)CC2)cc1 ZINC000486625683 998863802 /nfs/dbraw/zinc/86/38/02/998863802.db2.gz PWOSOODQOCLNDH-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000478369223 998921150 /nfs/dbraw/zinc/92/11/50/998921150.db2.gz JEYNXKPKDAUWOB-LOSJGSFVSA-N 1 1 411.505 3.965 20 30 HHEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000478395185 998935255 /nfs/dbraw/zinc/93/52/55/998935255.db2.gz DNYVCZNHKPUJHW-UHFFFAOYSA-N 1 1 415.459 3.974 20 30 HHEDMO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1OCCCC#N ZINC000486814429 998951941 /nfs/dbraw/zinc/95/19/41/998951941.db2.gz HNPCAPXIVIGIGV-INIZCTEOSA-N 1 1 406.490 3.717 20 30 HHEDMO COc1ccc(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1OCCCC#N ZINC000486814431 998952079 /nfs/dbraw/zinc/95/20/79/998952079.db2.gz HNPCAPXIVIGIGV-MRXNPFEDSA-N 1 1 406.490 3.717 20 30 HHEDMO COc1ccc2[nH]cc(C3CC[NH+](CCS(=O)(=O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000478435126 998956836 /nfs/dbraw/zinc/95/68/36/998956836.db2.gz URYANFUIZVOGKV-UHFFFAOYSA-N 1 1 423.538 3.701 20 30 HHEDMO COc1cc(Cl)c(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000486885612 998991462 /nfs/dbraw/zinc/99/14/62/998991462.db2.gz WBSIEYMDKPQYFH-SFHVURJKSA-N 1 1 404.297 3.764 20 30 HHEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(Cl)cc3Br)C2=O)cc1 ZINC000486887913 998992410 /nfs/dbraw/zinc/99/24/10/998992410.db2.gz PKXXLALFZGYSCM-SFHVURJKSA-N 1 1 418.722 3.865 20 30 HHEDMO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n[nH]1 ZINC000487382850 999154953 /nfs/dbraw/zinc/15/49/53/999154953.db2.gz WDYSMLKDLGBTPJ-UHFFFAOYSA-N 1 1 402.502 3.809 20 30 HHEDMO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n[nH]1 ZINC000487382850 999154956 /nfs/dbraw/zinc/15/49/56/999154956.db2.gz WDYSMLKDLGBTPJ-UHFFFAOYSA-N 1 1 402.502 3.809 20 30 HHEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000487419257 999169405 /nfs/dbraw/zinc/16/94/05/999169405.db2.gz KSOOYLWLCRKSOG-LJQANCHMSA-N 1 1 406.530 3.546 20 30 HHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000487419257 999169408 /nfs/dbraw/zinc/16/94/08/999169408.db2.gz KSOOYLWLCRKSOG-LJQANCHMSA-N 1 1 406.530 3.546 20 30 HHEDMO C=C(C)[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000478921298 999209371 /nfs/dbraw/zinc/20/93/71/999209371.db2.gz JDJULUKRKQMVNU-CVDCTZTESA-N 1 1 400.469 3.989 20 30 HHEDMO C=C(C)[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000478921298 999209374 /nfs/dbraw/zinc/20/93/74/999209374.db2.gz JDJULUKRKQMVNU-CVDCTZTESA-N 1 1 400.469 3.989 20 30 HHEDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000479519488 999456882 /nfs/dbraw/zinc/45/68/82/999456882.db2.gz UCTMZQOFCYPALU-HDICACEKSA-N 1 1 409.555 3.939 20 30 HHEDMO CC(C)[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)[NH+]1CCOCC1 ZINC000479534325 999464711 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COC(=O)[C@H](N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000549475658 1009072045 /nfs/dbraw/zinc/07/20/45/1009072045.db2.gz FOKRWDPKSYHLOB-YPAWHYETSA-N 1 1 413.468 3.864 20 30 HHEDMO COCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000519918523 1009076700 /nfs/dbraw/zinc/07/67/00/1009076700.db2.gz WAXGBGYCPHHOCW-INIZCTEOSA-N 1 1 419.447 3.903 20 30 HHEDMO COCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000519918523 1009076724 /nfs/dbraw/zinc/07/67/24/1009076724.db2.gz WAXGBGYCPHHOCW-INIZCTEOSA-N 1 1 419.447 3.903 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC3(CCOCC3)[C@@H]2C)c1C#N ZINC000543585544 1009189305 /nfs/dbraw/zinc/18/93/05/1009189305.db2.gz SLNKQYAGTMDTOJ-FQEVSTJZSA-N 1 1 420.557 3.854 20 30 HHEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000549640116 1009265949 /nfs/dbraw/zinc/26/59/49/1009265949.db2.gz XJDKUXAKQUQKER-GOSISDBHSA-N 1 1 413.566 3.707 20 30 HHEDMO C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000549645085 1009271731 /nfs/dbraw/zinc/27/17/31/1009271731.db2.gz LUGNHKFJQUFUKW-OAQYLSRUSA-N 1 1 422.621 3.975 20 30 HHEDMO C[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000543764769 1009335694 /nfs/dbraw/zinc/33/56/94/1009335694.db2.gz KJHKFUQWVPBSIT-INIZCTEOSA-N 1 1 406.465 3.525 20 30 HHEDMO Cn1ccc([C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccc(F)cc2)n1 ZINC000543774009 1009342355 /nfs/dbraw/zinc/34/23/55/1009342355.db2.gz PXJJFOLEQWVBEO-WMZHIEFXSA-N 1 1 407.468 3.918 20 30 HHEDMO C[N@H+]1CCCN(c2ccc(-c3noc(CSCc4ccc(C#N)cc4)n3)cn2)CC1 ZINC000546370195 1009379509 /nfs/dbraw/zinc/37/95/09/1009379509.db2.gz ZFWYKTAQGMVBEX-UHFFFAOYSA-N 1 1 420.542 3.579 20 30 HHEDMO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000549778711 1009389091 /nfs/dbraw/zinc/38/90/91/1009389091.db2.gz PJORHPHGCZPUPS-UHFFFAOYSA-N 1 1 424.593 3.800 20 30 HHEDMO C[NH+]1CCC(C#N)(NC(=O)c2ccc(-c3ccc(Br)s3)s2)CC1 ZINC000543854377 1009419402 /nfs/dbraw/zinc/41/94/02/1009419402.db2.gz FBGYONYEBVTOAF-UHFFFAOYSA-N 1 1 410.362 3.957 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H]1C ZINC000543886790 1009462644 /nfs/dbraw/zinc/46/26/44/1009462644.db2.gz QPKPYQNVROIZJX-GDBMZVCRSA-N 1 1 400.914 3.734 20 30 HHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543890225 1009468294 /nfs/dbraw/zinc/46/82/94/1009468294.db2.gz NLRLPZSEOPTJND-INIZCTEOSA-N 1 1 400.914 3.783 20 30 HHEDMO C[C@@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543943198 1009537154 /nfs/dbraw/zinc/53/71/54/1009537154.db2.gz QOFQRXMRRMTALX-LJQANCHMSA-N 1 1 419.573 3.611 20 30 HHEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000520465308 1009574080 /nfs/dbraw/zinc/57/40/80/1009574080.db2.gz FNACUTKDYJWVMO-KRWDZBQOSA-N 1 1 408.502 3.526 20 30 HHEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000520601010 1009677213 /nfs/dbraw/zinc/67/72/13/1009677213.db2.gz ZAZUCHWTERFEEC-ZWKOTPCHSA-N 1 1 418.969 3.603 20 30 HHEDMO C=C(C)Cn1c(COCC)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000520616290 1009692520 /nfs/dbraw/zinc/69/25/20/1009692520.db2.gz VIWWAIPUMXZPAF-QGZVFWFLSA-N 1 1 403.958 3.927 20 30 HHEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)c1 ZINC000544188970 1009791442 /nfs/dbraw/zinc/79/14/42/1009791442.db2.gz JVZCYCLDHIWBGW-UNMCSNQZSA-N 1 1 422.598 3.563 20 30 HHEDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCN2Cc2ccc(CC#N)cc2)cn1 ZINC000544191466 1009793187 /nfs/dbraw/zinc/79/31/87/1009793187.db2.gz YFXSLPXNESRUER-SANMLTNESA-N 1 1 424.552 3.611 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(Oc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000550571005 1010035291 /nfs/dbraw/zinc/03/52/91/1010035291.db2.gz MBIMVQORPDNKGL-UHFFFAOYSA-N 1 1 409.917 3.858 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(Oc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000550571005 1010035301 /nfs/dbraw/zinc/03/53/01/1010035301.db2.gz MBIMVQORPDNKGL-UHFFFAOYSA-N 1 1 409.917 3.858 20 30 HHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000521067250 1010084377 /nfs/dbraw/zinc/08/43/77/1010084377.db2.gz GNTMOQHSBHOERM-UHFFFAOYSA-N 1 1 405.542 3.594 20 30 HHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000521067250 1010084395 /nfs/dbraw/zinc/08/43/95/1010084395.db2.gz GNTMOQHSBHOERM-UHFFFAOYSA-N 1 1 405.542 3.594 20 30 HHEDMO COc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2ccc(F)cc2)cc1 ZINC000521148434 1010174664 /nfs/dbraw/zinc/17/46/64/1010174664.db2.gz HAJFDEMUSUCSOA-DEOSSOPVSA-N 1 1 403.457 3.701 20 30 HHEDMO N#CCc1ccc(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000550958451 1010279725 /nfs/dbraw/zinc/27/97/25/1010279725.db2.gz PUZOZAXKBRJWGA-UHFFFAOYSA-N 1 1 400.482 3.802 20 30 HHEDMO COc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)ccc1OCc1cccs1 ZINC000544934413 1010502691 /nfs/dbraw/zinc/50/26/91/1010502691.db2.gz MDDHISWTYBAZOV-UHFFFAOYSA-N 1 1 420.538 3.925 20 30 HHEDMO COc1ccc([C@@H](CCC#N)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000545013046 1010555716 /nfs/dbraw/zinc/55/57/16/1010555716.db2.gz IHOLFPPUNOSNLR-XZOQPEGZSA-N 1 1 407.514 3.739 20 30 HHEDMO N#Cc1ccc(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000548303247 1010587807 /nfs/dbraw/zinc/58/78/07/1010587807.db2.gz YEOUWERAUAUAAG-UHFFFAOYSA-N 1 1 410.949 3.539 20 30 HHEDMO Cc1c2c(nc(S[C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c1C#N)CCC2 ZINC000521799333 1010627208 /nfs/dbraw/zinc/62/72/08/1010627208.db2.gz WMNOBMLPJJFSQP-PKOBYXMFSA-N 1 1 420.582 3.622 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000521805605 1010632385 /nfs/dbraw/zinc/63/23/85/1010632385.db2.gz MGZFEEQABMJLMQ-QZTJIDSGSA-N 1 1 416.591 3.790 20 30 HHEDMO CC(C)C[N@@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccc(C#N)cc1 ZINC000521821333 1010640623 /nfs/dbraw/zinc/64/06/23/1010640623.db2.gz FAUBMTRYHQROIU-QHCPKHFHSA-N 1 1 404.558 3.659 20 30 HHEDMO C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548852491 1010744736 /nfs/dbraw/zinc/74/47/36/1010744736.db2.gz HUDLURKDRDUUNL-UHFFFAOYSA-N 1 1 419.577 3.873 20 30 HHEDMO N#CC1(c2ccccn2)CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000548870548 1010748503 /nfs/dbraw/zinc/74/85/03/1010748503.db2.gz UCOBCEMECFIKFH-UHFFFAOYSA-N 1 1 421.570 3.720 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000548920772 1010760792 /nfs/dbraw/zinc/76/07/92/1010760792.db2.gz KZVAIBRUZKKNQI-LJQANCHMSA-N 1 1 420.532 3.988 20 30 HHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 ZINC000523071719 1011541982 /nfs/dbraw/zinc/54/19/82/1011541982.db2.gz LOMOUEIPSUYPQP-QGZVFWFLSA-N 1 1 424.570 3.787 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000541088250 1011731707 /nfs/dbraw/zinc/73/17/07/1011731707.db2.gz IGPKSOMUIAKPEZ-IBGZPJMESA-N 1 1 403.404 3.979 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000541088250 1011731711 /nfs/dbraw/zinc/73/17/11/1011731711.db2.gz IGPKSOMUIAKPEZ-IBGZPJMESA-N 1 1 403.404 3.979 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)CCc2ccccn2)c1C#N ZINC000536653940 1011801806 /nfs/dbraw/zinc/80/18/06/1011801806.db2.gz TYBJYCWOQWXURK-UHFFFAOYSA-N 1 1 405.477 3.613 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)CCc2ccccn2)c1C#N ZINC000536653940 1011801819 /nfs/dbraw/zinc/80/18/19/1011801819.db2.gz TYBJYCWOQWXURK-UHFFFAOYSA-N 1 1 405.477 3.613 20 30 HHEDMO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000536677835 1011840168 /nfs/dbraw/zinc/84/01/68/1011840168.db2.gz MVHOYJJQZMNVRU-DHIUTWEWSA-N 1 1 412.555 3.925 20 30 HHEDMO C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000536677835 1011840183 /nfs/dbraw/zinc/84/01/83/1011840183.db2.gz MVHOYJJQZMNVRU-DHIUTWEWSA-N 1 1 412.555 3.925 20 30 HHEDMO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000536677838 1011840307 /nfs/dbraw/zinc/84/03/07/1011840307.db2.gz MVHOYJJQZMNVRU-XZOQPEGZSA-N 1 1 412.555 3.925 20 30 HHEDMO C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000536677838 1011840320 /nfs/dbraw/zinc/84/03/20/1011840320.db2.gz MVHOYJJQZMNVRU-XZOQPEGZSA-N 1 1 412.555 3.925 20 30 HHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)c2)c1 ZINC000536682848 1011846274 /nfs/dbraw/zinc/84/62/74/1011846274.db2.gz NUTLKPMFVWELNF-XMMPIXPASA-N 1 1 405.542 3.824 20 30 HHEDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000536690877 1011856858 /nfs/dbraw/zinc/85/68/58/1011856858.db2.gz GEHZREWOHCMIGN-UHFFFAOYSA-N 1 1 406.486 3.740 20 30 HHEDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000536690877 1011856866 /nfs/dbraw/zinc/85/68/66/1011856866.db2.gz GEHZREWOHCMIGN-UHFFFAOYSA-N 1 1 406.486 3.740 20 30 HHEDMO C=CC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000552042523 1012062505 /nfs/dbraw/zinc/06/25/05/1012062505.db2.gz LETJSPJGQIKKRV-INIZCTEOSA-N 1 1 403.515 3.930 20 30 HHEDMO C[C@H](CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000552076304 1012093370 /nfs/dbraw/zinc/09/33/70/1012093370.db2.gz GDAJMXXTBMPUPW-LJQANCHMSA-N 1 1 422.548 3.941 20 30 HHEDMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000523570267 1012112348 /nfs/dbraw/zinc/11/23/48/1012112348.db2.gz PLLJJDYFXVSYQS-VQIMIIECSA-N 1 1 401.507 3.543 20 30 HHEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)Cc1c(F)cccc1C#N ZINC000552116013 1012134532 /nfs/dbraw/zinc/13/45/32/1012134532.db2.gz ZKMMRSDSQNBAKW-HXUWFJFHSA-N 1 1 417.488 3.831 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000552118497 1012135674 /nfs/dbraw/zinc/13/56/74/1012135674.db2.gz JYNUIJQHJSAOHB-HXOBKFHXSA-N 1 1 408.521 3.702 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000552118497 1012135700 /nfs/dbraw/zinc/13/57/00/1012135700.db2.gz JYNUIJQHJSAOHB-HXOBKFHXSA-N 1 1 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1013183177 /nfs/dbraw/zinc/18/31/77/1013183177.db2.gz NGQBUGJLOTUVBY-UHFFFAOYSA-N 1 1 403.313 3.963 20 30 HHEDMO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC(C)(C)C1 ZINC000542251783 1013211856 /nfs/dbraw/zinc/21/18/56/1013211856.db2.gz PJCTWHFHNICQKN-ROUUACIJSA-N 1 1 412.578 3.724 20 30 HHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC(C)(C)C1 ZINC000542251783 1013211864 /nfs/dbraw/zinc/21/18/64/1013211864.db2.gz PJCTWHFHNICQKN-ROUUACIJSA-N 1 1 412.578 3.724 20 30 HHEDMO Cc1ccc(NC(=O)C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000007490709 961215055 /nfs/dbraw/zinc/21/50/55/961215055.db2.gz XUEKIHLBJIYBNO-UHFFFAOYSA-N 1 1 410.543 3.706 20 30 HHEDMO Cc1ccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000007490709 961215072 /nfs/dbraw/zinc/21/50/72/961215072.db2.gz XUEKIHLBJIYBNO-UHFFFAOYSA-N 1 1 410.543 3.706 20 30 HHEDMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000008339430 961521579 /nfs/dbraw/zinc/52/15/79/961521579.db2.gz PZKVDQFKYQOUOO-AWEZNQCLSA-N 1 1 401.894 3.996 20 30 HHEDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000008339430 961521590 /nfs/dbraw/zinc/52/15/90/961521590.db2.gz PZKVDQFKYQOUOO-AWEZNQCLSA-N 1 1 401.894 3.996 20 30 HHEDMO COc1ccc(OCC[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000010101941 961744092 /nfs/dbraw/zinc/74/40/92/961744092.db2.gz TZJVNISCXFJDIV-UHFFFAOYSA-N 1 1 401.894 3.606 20 30 HHEDMO COc1ccc(OCC[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000010101941 961744100 /nfs/dbraw/zinc/74/41/00/961744100.db2.gz TZJVNISCXFJDIV-UHFFFAOYSA-N 1 1 401.894 3.606 20 30 HHEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1OC ZINC000553337957 1013283945 /nfs/dbraw/zinc/28/39/45/1013283945.db2.gz FONMAPCIAUGMGL-CABCVRRESA-N 1 1 417.456 3.968 20 30 HHEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1cccc(Cl)c1 ZINC000011165852 962021374 /nfs/dbraw/zinc/02/13/74/962021374.db2.gz GYSCGYDSGKWNJV-SFHVURJKSA-N 1 1 424.932 3.937 20 30 HHEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1cccc(Cl)c1 ZINC000011165852 962021401 /nfs/dbraw/zinc/02/14/01/962021401.db2.gz GYSCGYDSGKWNJV-SFHVURJKSA-N 1 1 424.932 3.937 20 30 HHEDMO C=CCNC(=O)C[N@@H+](C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000015309775 962717392 /nfs/dbraw/zinc/71/73/92/962717392.db2.gz FQJXYDJAJMWAJH-UHFFFAOYSA-N 1 1 408.933 3.986 20 30 HHEDMO C=CCNC(=O)C[N@H+](C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000015309775 962717401 /nfs/dbraw/zinc/71/74/01/962717401.db2.gz FQJXYDJAJMWAJH-UHFFFAOYSA-N 1 1 408.933 3.986 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000542420232 1013371567 /nfs/dbraw/zinc/37/15/67/1013371567.db2.gz YPDUUFCWGCEKMC-NQIIRXRSSA-N 1 1 422.529 3.758 20 30 HHEDMO Cc1ccnn1-c1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000542423157 1013375583 /nfs/dbraw/zinc/37/55/83/1013375583.db2.gz SAKKBUUKMRYLJU-UHFFFAOYSA-N 1 1 414.513 3.792 20 30 HHEDMO Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023753851 963884931 /nfs/dbraw/zinc/88/49/31/963884931.db2.gz PBMPRWLDSVDJHL-UHFFFAOYSA-N 1 1 416.529 3.540 20 30 HHEDMO Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023753851 963884936 /nfs/dbraw/zinc/88/49/36/963884936.db2.gz PBMPRWLDSVDJHL-UHFFFAOYSA-N 1 1 416.529 3.540 20 30 HHEDMO CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000542533862 1013478028 /nfs/dbraw/zinc/47/80/28/1013478028.db2.gz PWFPOFQRPHYGMG-NHCUHLMSSA-N 1 1 402.970 3.621 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000025540982 964301488 /nfs/dbraw/zinc/30/14/88/964301488.db2.gz SPYZETDDVBQSKJ-DEOSSOPVSA-N 1 1 421.589 3.545 20 30 HHEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000051449683 964576727 /nfs/dbraw/zinc/57/67/27/964576727.db2.gz AUBCMOVTCHAIOR-ICSRJNTNSA-N 1 1 401.304 3.898 20 30 HHEDMO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000052384689 964891482 /nfs/dbraw/zinc/89/14/82/964891482.db2.gz GFMAALANOGBMSV-UHFFFAOYSA-N 1 1 405.483 3.912 20 30 HHEDMO C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@H+]1CCc2ccccc2C1 ZINC000052532133 964925138 /nfs/dbraw/zinc/92/51/38/964925138.db2.gz GFRGVDXKFTZKHI-GOSISDBHSA-N 1 1 415.493 3.907 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953148 965006958 /nfs/dbraw/zinc/00/69/58/965006958.db2.gz DJDGXHQGZWGTLN-RTBURBONSA-N 1 1 422.504 3.812 20 30 HHEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](C[C@H](O)COc4ccc(C#N)cc4)CC3)c2c1 ZINC000053073593 965055620 /nfs/dbraw/zinc/05/56/20/965055620.db2.gz JKZVRVFEYRXUSO-IBGZPJMESA-N 1 1 403.482 3.577 20 30 HHEDMO C[N@@H+](CCCOc1ccc(F)cc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000030268722 965645627 /nfs/dbraw/zinc/64/56/27/965645627.db2.gz SDDJLDFEFLIWIH-UHFFFAOYSA-N 1 1 401.507 3.977 20 30 HHEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000054984003 965719015 /nfs/dbraw/zinc/71/90/15/965719015.db2.gz RPZXPLSOAGOQCS-UHFFFAOYSA-N 1 1 415.950 3.785 20 30 HHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000055083224 965750485 /nfs/dbraw/zinc/75/04/85/965750485.db2.gz FMKIQJHBMGFJPL-QFIPXVFZSA-N 1 1 418.541 3.735 20 30 HHEDMO CSc1ccccc1NC(=O)[C@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172157 965773972 /nfs/dbraw/zinc/77/39/72/965773972.db2.gz IFOGQMVYUDTIBP-SFHVURJKSA-N 1 1 408.571 3.815 20 30 HHEDMO COc1ccccc1[C@@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)[NH+](C)C ZINC000032694798 966311299 /nfs/dbraw/zinc/31/12/99/966311299.db2.gz RZECLVAGFYOLGQ-LJQANCHMSA-N 1 1 410.543 3.594 20 30 HHEDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000553849473 1013655001 /nfs/dbraw/zinc/65/50/01/1013655001.db2.gz GUFONJIKVZSCQD-UHFFFAOYSA-N 1 1 410.474 3.962 20 30 HHEDMO CN(C(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000041623367 966606512 /nfs/dbraw/zinc/60/65/12/966606512.db2.gz SWYDWUAJJLNJSG-UHFFFAOYSA-N 1 1 416.591 3.550 20 30 HHEDMO CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741884 966839886 /nfs/dbraw/zinc/83/98/86/966839886.db2.gz FQFKQDYTPPDNLV-INIZCTEOSA-N 1 1 412.921 3.692 20 30 HHEDMO CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741884 966839890 /nfs/dbraw/zinc/83/98/90/966839890.db2.gz FQFKQDYTPPDNLV-INIZCTEOSA-N 1 1 412.921 3.692 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000042858102 966858529 /nfs/dbraw/zinc/85/85/29/966858529.db2.gz BOMCZEIZHGSCPW-GOSISDBHSA-N 1 1 405.498 3.825 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000042858102 966858537 /nfs/dbraw/zinc/85/85/37/966858537.db2.gz BOMCZEIZHGSCPW-GOSISDBHSA-N 1 1 405.498 3.825 20 30 HHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000063754028 966947089 /nfs/dbraw/zinc/94/70/89/966947089.db2.gz GRAXJPZQPOXPAX-KRWDZBQOSA-N 1 1 409.313 3.753 20 30 HHEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)C(C)C ZINC000043490275 966981802 /nfs/dbraw/zinc/98/18/02/966981802.db2.gz SOGLBWDDDADFGO-QHCPKHFHSA-N 1 1 413.610 3.567 20 30 HHEDMO COc1ccccc1-c1csc([C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000553907524 1013691746 /nfs/dbraw/zinc/69/17/46/1013691746.db2.gz MFGFMXOKNQUNDO-INIZCTEOSA-N 1 1 410.543 3.561 20 30 HHEDMO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000553907524 1013691753 /nfs/dbraw/zinc/69/17/53/1013691753.db2.gz MFGFMXOKNQUNDO-INIZCTEOSA-N 1 1 410.543 3.561 20 30 HHEDMO C[C@H](c1cccc2ccccc21)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000064139373 967062044 /nfs/dbraw/zinc/06/20/44/967062044.db2.gz FTUDLBAVWJVKSF-GOSISDBHSA-N 1 1 405.523 3.779 20 30 HHEDMO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4ccc5c(c4)OCCO5)CCCC3)o2)c1 ZINC000538141397 1013702637 /nfs/dbraw/zinc/70/26/37/1013702637.db2.gz LCESNTPGFCVCFL-UHFFFAOYSA-N 1 1 402.454 3.939 20 30 HHEDMO Cc1nc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)sc1SCC#N ZINC000044789982 967290257 /nfs/dbraw/zinc/29/02/57/967290257.db2.gz XTUTVXYVTBIJQB-KBPBESRZSA-N 1 1 416.572 3.929 20 30 HHEDMO C=CCc1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000065175348 967400496 /nfs/dbraw/zinc/40/04/96/967400496.db2.gz HYTLPKNMABXVEE-QFIPXVFZSA-N 1 1 408.542 3.961 20 30 HHEDMO C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000045381904 967442580 /nfs/dbraw/zinc/44/25/80/967442580.db2.gz FJBNAPVUGXOERV-LJQANCHMSA-N 1 1 406.530 3.502 20 30 HHEDMO C[C@@H](OC[C@@H](O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000046086925 967657037 /nfs/dbraw/zinc/65/70/37/967657037.db2.gz ICAWFWLOMYDHHY-GCJKJVERSA-N 1 1 413.949 3.862 20 30 HHEDMO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000046121705 967668456 /nfs/dbraw/zinc/66/84/56/967668456.db2.gz YXFPYSZFGGFXSR-UHFFFAOYSA-N 1 1 406.574 3.722 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542899682 1013742875 /nfs/dbraw/zinc/74/28/75/1013742875.db2.gz ABTGMVQOFKTGFW-YLJYHZDGSA-N 1 1 424.570 3.969 20 30 HHEDMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cnccc1C#N)c1ccc(Cl)cc1 ZINC000553998959 1013745608 /nfs/dbraw/zinc/74/56/08/1013745608.db2.gz FPSPCBPEXVELEN-QGZVFWFLSA-N 1 1 410.827 3.962 20 30 HHEDMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1cnccc1C#N)c1ccc(Cl)cc1 ZINC000553998959 1013745610 /nfs/dbraw/zinc/74/56/10/1013745610.db2.gz FPSPCBPEXVELEN-QGZVFWFLSA-N 1 1 410.827 3.962 20 30 HHEDMO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1ccc(C#N)cc1 ZINC000046527408 967841661 /nfs/dbraw/zinc/84/16/61/967841661.db2.gz HFAGQIMPMDLYGF-OAQYLSRUSA-N 1 1 405.498 3.515 20 30 HHEDMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1ccc(C#N)cc1 ZINC000046527408 967841682 /nfs/dbraw/zinc/84/16/82/967841682.db2.gz HFAGQIMPMDLYGF-OAQYLSRUSA-N 1 1 405.498 3.515 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529533 967842575 /nfs/dbraw/zinc/84/25/75/967842575.db2.gz DCMBQVVLLGYGSD-ZDUSSCGKSA-N 1 1 419.266 3.622 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529533 967842593 /nfs/dbraw/zinc/84/25/93/967842593.db2.gz DCMBQVVLLGYGSD-ZDUSSCGKSA-N 1 1 419.266 3.622 20 30 HHEDMO CC(C)([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Br ZINC000538225979 1013775345 /nfs/dbraw/zinc/77/53/45/1013775345.db2.gz ICYDJKNPWYKJHD-UHFFFAOYSA-N 1 1 407.333 3.619 20 30 HHEDMO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc(F)c(F)c1 ZINC000538224259 1013773839 /nfs/dbraw/zinc/77/38/39/1013773839.db2.gz RXPKYILLWNWTFD-OAQYLSRUSA-N 1 1 401.457 3.806 20 30 HHEDMO CCC[N@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1ccc(C#N)cc1 ZINC000047739954 968293517 /nfs/dbraw/zinc/29/35/17/968293517.db2.gz OZHLIRGGVUWAKD-UHFFFAOYSA-N 1 1 406.530 3.891 20 30 HHEDMO CCC[N@@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1ccc(C#N)cc1 ZINC000047739954 968293531 /nfs/dbraw/zinc/29/35/31/968293531.db2.gz OZHLIRGGVUWAKD-UHFFFAOYSA-N 1 1 406.530 3.891 20 30 HHEDMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccco1 ZINC000048125529 968442018 /nfs/dbraw/zinc/44/20/18/968442018.db2.gz JULDRJXOFHORQC-FQEVSTJZSA-N 1 1 417.469 3.828 20 30 HHEDMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)c1ccco1 ZINC000048125532 968442324 /nfs/dbraw/zinc/44/23/24/968442324.db2.gz JULDRJXOFHORQC-HXUWFJFHSA-N 1 1 417.469 3.828 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000554142991 1013819983 /nfs/dbraw/zinc/81/99/83/1013819983.db2.gz RMZNMIZKFUNOAD-HXUWFJFHSA-N 1 1 410.905 3.668 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1C ZINC000065963030 968738073 /nfs/dbraw/zinc/73/80/73/968738073.db2.gz DZYSILAOLIMEAI-UHFFFAOYSA-N 1 1 424.589 3.711 20 30 HHEDMO C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000097061449 969086735 /nfs/dbraw/zinc/08/67/35/969086735.db2.gz WOFDOHFJPMKRBX-LAUBAEHRSA-N 1 1 420.582 3.703 20 30 HHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000097073577 969087482 /nfs/dbraw/zinc/08/74/82/969087482.db2.gz OBDJDIZVSAHCMI-HOTGVXAUSA-N 1 1 423.483 3.741 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 ZINC000105360014 969234127 /nfs/dbraw/zinc/23/41/27/969234127.db2.gz MCZDGAQWQVOPLN-UHFFFAOYSA-N 1 1 415.291 3.941 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)cc1 ZINC000554272811 1013886918 /nfs/dbraw/zinc/88/69/18/1013886918.db2.gz SYIRTTGYIPXXAA-MRXNPFEDSA-N 1 1 424.545 3.538 20 30 HHEDMO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000139236161 970025536 /nfs/dbraw/zinc/02/55/36/970025536.db2.gz LELMWOKYSYQIIE-UHFFFAOYSA-N 1 1 402.473 3.994 20 30 HHEDMO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000236953792 970194268 /nfs/dbraw/zinc/19/42/68/970194268.db2.gz PUOBBRCQPMTOBK-OAQYLSRUSA-N 1 1 406.574 3.500 20 30 HHEDMO CN1c2ccccc2N(C)C1=C1C(=O)CN(C[C@H]2CCCO[C@H]2c2ccccc2)C1=[NH2+] ZINC000146270658 970285281 /nfs/dbraw/zinc/28/52/81/970285281.db2.gz VQCBMXQXTQIVRG-JPYJTQIMSA-N 1 1 416.525 3.814 20 30 HHEDMO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000261409723 970659436 /nfs/dbraw/zinc/65/94/36/970659436.db2.gz CJUDXQCDDFKDDP-MJGOQNOKSA-N 1 1 421.888 3.668 20 30 HHEDMO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000261409723 970659443 /nfs/dbraw/zinc/65/94/43/970659443.db2.gz CJUDXQCDDFKDDP-MJGOQNOKSA-N 1 1 421.888 3.668 20 30 HHEDMO COc1ccc(-c2n[nH]c(CNC(=[NH2+])N[C@@H](C)c3ccc(Cl)cc3Cl)n2)cc1 ZINC000303970291 972558137 /nfs/dbraw/zinc/55/81/37/972558137.db2.gz CMRVDZCNHNKYCA-NSHDSACASA-N 1 1 419.316 3.953 20 30 HHEDMO CN1CCN(c2ccc(CNC(=[NH2+])Nc3cccc(Oc4ccccc4)c3)cn2)CC1 ZINC000304513160 972602496 /nfs/dbraw/zinc/60/24/96/972602496.db2.gz XTBVLWDXULNJMD-UHFFFAOYSA-N 1 1 416.529 3.553 20 30 HHEDMO COc1ccc(NC(=[NH2+])NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1OC ZINC000305710288 972613085 /nfs/dbraw/zinc/61/30/85/972613085.db2.gz XIIBTPKWQXIODP-VLIAUNLRSA-N 1 1 420.916 3.916 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1cccs1 ZINC000409734057 973208582 /nfs/dbraw/zinc/20/85/82/973208582.db2.gz NBMWEXSISJVWIE-LAUBAEHRSA-N 1 1 405.527 3.618 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409756963 973233053 /nfs/dbraw/zinc/23/30/53/973233053.db2.gz AXIOJGHFGZZOIM-QFIPXVFZSA-N 1 1 413.525 3.728 20 30 HHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000409811714 973285217 /nfs/dbraw/zinc/28/52/17/973285217.db2.gz XNOKUUQNRZTKAU-SFHVURJKSA-N 1 1 422.529 3.888 20 30 HHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000409811714 973285224 /nfs/dbraw/zinc/28/52/24/973285224.db2.gz XNOKUUQNRZTKAU-SFHVURJKSA-N 1 1 422.529 3.888 20 30 HHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409938454 973402281 /nfs/dbraw/zinc/40/22/81/973402281.db2.gz QIPFXYBIAFBEEF-QHCPKHFHSA-N 1 1 401.514 3.630 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000426788306 974660231 /nfs/dbraw/zinc/66/02/31/974660231.db2.gz LYXUUNTZEKFYQU-HNAYVOBHSA-N 1 1 405.926 3.589 20 30 HHEDMO N#Cc1c(F)cccc1CN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000428389029 975710588 /nfs/dbraw/zinc/71/05/88/975710588.db2.gz YLGBEFYSCMZPRM-UHFFFAOYSA-N 1 1 411.506 3.559 20 30 HHEDMO CCOC1(C)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000428709471 976000793 /nfs/dbraw/zinc/00/07/93/976000793.db2.gz KEFVNLACVJLURY-UHFFFAOYSA-N 1 1 412.509 3.934 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)nc1 ZINC000428768375 976039336 /nfs/dbraw/zinc/03/93/36/976039336.db2.gz AOMLRRCIFJVNAH-MAUKXSAKSA-N 1 1 417.296 3.519 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)nc1 ZINC000428768375 976039347 /nfs/dbraw/zinc/03/93/47/976039347.db2.gz AOMLRRCIFJVNAH-MAUKXSAKSA-N 1 1 417.296 3.519 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)nc1 ZINC000428793678 976069889 /nfs/dbraw/zinc/06/98/89/976069889.db2.gz LDKWRGBKOSESSK-AWEZNQCLSA-N 1 1 405.285 3.742 20 30 HHEDMO COCc1cccc(OCC2(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)CCC2)c1 ZINC000428793623 976069965 /nfs/dbraw/zinc/06/99/65/976069965.db2.gz KTEIFRCVIVPQHA-JOCHJYFZSA-N 1 1 407.514 3.802 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Br)cc4cccnc43)C2)nc1 ZINC000428799845 976077471 /nfs/dbraw/zinc/07/74/71/976077471.db2.gz BPSJVARJOICNHD-SFHVURJKSA-N 1 1 409.287 3.917 20 30 HHEDMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccc2ccccc21 ZINC000428814718 976094976 /nfs/dbraw/zinc/09/49/76/976094976.db2.gz SKKCFDFESMJXGU-WFXMLNOXSA-N 1 1 414.509 3.825 20 30 HHEDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cccc2ccccc21 ZINC000428814718 976094991 /nfs/dbraw/zinc/09/49/91/976094991.db2.gz SKKCFDFESMJXGU-WFXMLNOXSA-N 1 1 414.509 3.825 20 30 HHEDMO CC(C)[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H](C)c1ccccc1 ZINC000428851756 976139164 /nfs/dbraw/zinc/13/91/64/976139164.db2.gz RZNUJLIBPIELBJ-CTNGQTDRSA-N 1 1 410.587 3.929 20 30 HHEDMO C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000429094217 976379517 /nfs/dbraw/zinc/37/95/17/976379517.db2.gz PLRWZNYEPAWYPO-ICSRJNTNSA-N 1 1 405.546 3.847 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[N@@H+]1CCO ZINC000429174586 976464329 /nfs/dbraw/zinc/46/43/29/976464329.db2.gz QRVKJKXKYXDPGF-UZLBHIALSA-N 1 1 412.921 3.526 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[N@H+]1CCO ZINC000429174586 976464338 /nfs/dbraw/zinc/46/43/38/976464338.db2.gz QRVKJKXKYXDPGF-UZLBHIALSA-N 1 1 412.921 3.526 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOC[C@@H](C4CCC4)C3)sc2C1 ZINC000429228037 976520500 /nfs/dbraw/zinc/52/05/00/976520500.db2.gz QFXXLTITLPTIFV-RDJZCZTQSA-N 1 1 401.576 3.822 20 30 HHEDMO CC(C)(C#N)c1ccc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1 ZINC000429251760 976540542 /nfs/dbraw/zinc/54/05/42/976540542.db2.gz DKBSRGFWLXTGHY-UHFFFAOYSA-N 1 1 421.545 3.639 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCSCC[C@@H]2C)c1C#N ZINC000429772168 977058891 /nfs/dbraw/zinc/05/88/91/977058891.db2.gz NPGLAYBTPMDWHH-AWEZNQCLSA-N 1 1 400.523 3.871 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCSCC[C@@H]2C)c1C#N ZINC000429772168 977058899 /nfs/dbraw/zinc/05/88/99/977058899.db2.gz NPGLAYBTPMDWHH-AWEZNQCLSA-N 1 1 400.523 3.871 20 30 HHEDMO C[C@@H]1C[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000429810843 977084088 /nfs/dbraw/zinc/08/40/88/977084088.db2.gz CBHLXESZZTXDLK-DENIHFKCSA-N 1 1 413.525 3.857 20 30 HHEDMO C=CCOc1c(Br)cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OCC ZINC000430125673 977333154 /nfs/dbraw/zinc/33/31/54/977333154.db2.gz MPHLAKGHRUCJQO-FQEVSTJZSA-N 1 1 409.368 3.940 20 30 HHEDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cccc(OCCCC#N)c2)CC1 ZINC000430189403 977380805 /nfs/dbraw/zinc/38/08/05/977380805.db2.gz DQXXNSXUPBVJEH-UHFFFAOYSA-N 1 1 412.559 3.839 20 30 HHEDMO N#CCCn1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1-c1ccccc1 ZINC000430295997 977455677 /nfs/dbraw/zinc/45/56/77/977455677.db2.gz RYKOQXRGWDVCAU-UGKGYDQZSA-N 1 1 403.530 3.553 20 30 HHEDMO CCCN(C(=O)c1cccs1)C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000431158815 978059857 /nfs/dbraw/zinc/05/98/57/978059857.db2.gz DTWOMMQQKZGGOV-JTSKRJEESA-N 1 1 418.607 3.508 20 30 HHEDMO N#CCCC[C@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000431703273 978446868 /nfs/dbraw/zinc/44/68/68/978446868.db2.gz QIJWCWPKQHBSMA-VXKWHMMOSA-N 1 1 419.529 3.693 20 30 HHEDMO N#CCCC[C@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000431703273 978446869 /nfs/dbraw/zinc/44/68/69/978446869.db2.gz QIJWCWPKQHBSMA-VXKWHMMOSA-N 1 1 419.529 3.693 20 30 HHEDMO C=CCN1C(=O)N([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431704489 978447659 /nfs/dbraw/zinc/44/76/59/978447659.db2.gz XXUOHYQIOBETKJ-WWPVKYPJSA-N 1 1 403.526 3.711 20 30 HHEDMO C=CCN1C(=O)N([C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431956112 978617859 /nfs/dbraw/zinc/61/78/59/978617859.db2.gz BGIYKXQPNPUVAB-HUVFLSCGSA-N 1 1 417.553 3.959 20 30 HHEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000431992437 978634834 /nfs/dbraw/zinc/63/48/34/978634834.db2.gz NVDSUMBIWJQBDO-UHFFFAOYSA-N 1 1 418.541 3.886 20 30 HHEDMO C=CCNc1ncc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)s1 ZINC000433093471 979070180 /nfs/dbraw/zinc/07/01/80/979070180.db2.gz USWFOOYIECWOMR-UHFFFAOYSA-N 1 1 424.492 4.154 20 30 HHEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000433231845 979164753 /nfs/dbraw/zinc/16/47/53/979164753.db2.gz YVFJDZFECLDAEZ-UHFFFAOYSA-N 1 1 408.502 3.925 20 30 HHEDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000433231845 979164760 /nfs/dbraw/zinc/16/47/60/979164760.db2.gz YVFJDZFECLDAEZ-UHFFFAOYSA-N 1 1 408.502 3.925 20 30 HHEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000433233641 979166597 /nfs/dbraw/zinc/16/65/97/979166597.db2.gz HRLIMYYLPKXKMZ-UHFFFAOYSA-N 1 1 408.502 3.925 20 30 HHEDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000433233641 979166599 /nfs/dbraw/zinc/16/65/99/979166599.db2.gz HRLIMYYLPKXKMZ-UHFFFAOYSA-N 1 1 408.502 3.925 20 30 HHEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CCCCC1 ZINC000433319472 979233854 /nfs/dbraw/zinc/23/38/54/979233854.db2.gz RAZDRKPDLULKRX-KRWDZBQOSA-N 1 1 404.352 3.656 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(-c4ccccc4F)on3)CC2)cc1 ZINC000434081141 979827525 /nfs/dbraw/zinc/82/75/25/979827525.db2.gz AWEAJKDHUDKPGL-UHFFFAOYSA-N 1 1 419.460 4.092 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(-c4ccccc4F)on3)CC2)cc1 ZINC000434081141 979827529 /nfs/dbraw/zinc/82/75/29/979827529.db2.gz AWEAJKDHUDKPGL-UHFFFAOYSA-N 1 1 419.460 4.092 20 30 HHEDMO N#CCCn1cc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000434827775 980426881 /nfs/dbraw/zinc/42/68/81/980426881.db2.gz AGFKIOMBMSIDKO-UHFFFAOYSA-N 1 1 400.530 3.567 20 30 HHEDMO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1COc2ccccc2O1 ZINC000434833411 980430862 /nfs/dbraw/zinc/43/08/62/980430862.db2.gz KSHMGYJYFCVDEF-NRFANRHFSA-N 1 1 417.513 3.911 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870148 980459031 /nfs/dbraw/zinc/45/90/31/980459031.db2.gz PJQYFTLOVIFMGY-UTKZUKDTSA-N 1 1 408.571 3.747 20 30 HHEDMO CCN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000434989381 980552797 /nfs/dbraw/zinc/55/27/97/980552797.db2.gz AFHQAIIUHFMKOR-XMMPIXPASA-N 1 1 414.557 3.955 20 30 HHEDMO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000434989381 980552801 /nfs/dbraw/zinc/55/28/01/980552801.db2.gz AFHQAIIUHFMKOR-XMMPIXPASA-N 1 1 414.557 3.955 20 30 HHEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000434989381 980552804 /nfs/dbraw/zinc/55/28/04/980552804.db2.gz AFHQAIIUHFMKOR-XMMPIXPASA-N 1 1 414.557 3.955 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)cc1OC ZINC000435242942 980739859 /nfs/dbraw/zinc/73/98/59/980739859.db2.gz PJKCYEUUZBHWNC-OAHLLOKOSA-N 1 1 412.324 3.798 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)cc1OC ZINC000435242942 980739862 /nfs/dbraw/zinc/73/98/62/980739862.db2.gz PJKCYEUUZBHWNC-OAHLLOKOSA-N 1 1 412.324 3.798 20 30 HHEDMO Cc1cc(NC(=O)COc2ccc(C#N)cc2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435281403 980757186 /nfs/dbraw/zinc/75/71/86/980757186.db2.gz WKPDECQMEBYPLP-NRFANRHFSA-N 1 1 415.497 3.528 20 30 HHEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435375959 980825455 /nfs/dbraw/zinc/82/54/55/980825455.db2.gz XFAXVZHAWNYHTL-WIYYLYMNSA-N 1 1 415.497 3.608 20 30 HHEDMO Cc1cc(NC(=O)NCc2cccc(C#N)c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435516469 980913697 /nfs/dbraw/zinc/91/36/97/980913697.db2.gz LQIXXMABPDKBJC-JOCHJYFZSA-N 1 1 414.513 3.832 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@@H](C)C1 ZINC000435544977 980932836 /nfs/dbraw/zinc/93/28/36/980932836.db2.gz HKADUTLPYKIKTL-FXAWDEMLSA-N 1 1 402.539 3.604 20 30 HHEDMO C=CCC[C@H](NC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000435736078 981009147 /nfs/dbraw/zinc/00/91/47/981009147.db2.gz SXWVPJFSXGNYAI-XXBNENTESA-N 1 1 421.541 3.842 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3[C@@H]4CCc5ccccc5[C@@H]43)CC2)cc1 ZINC000435801577 981037139 /nfs/dbraw/zinc/03/71/39/981037139.db2.gz WATJNJSGNKUYCR-TZRRMPRUSA-N 1 1 400.526 3.504 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)[C@@H](CO)c2ccccc2)c1C#N ZINC000436263152 981275729 /nfs/dbraw/zinc/27/57/29/981275729.db2.gz SIARQUFQHKSLTL-QFIPXVFZSA-N 1 1 420.488 3.709 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)[C@@H](CO)c2ccccc2)c1C#N ZINC000436263152 981275736 /nfs/dbraw/zinc/27/57/36/981275736.db2.gz SIARQUFQHKSLTL-QFIPXVFZSA-N 1 1 420.488 3.709 20 30 HHEDMO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000436346238 981314949 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400.544 3.942 20 30 HHEDMO C=CCOc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1OC ZINC000437352571 982002333 /nfs/dbraw/zinc/00/23/33/982002333.db2.gz NTZYQXTUUYWBEJ-VGOFRKELSA-N 1 1 403.544 3.832 20 30 HHEDMO CCn1c(-c2sccc2C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460251446 982028815 /nfs/dbraw/zinc/02/88/15/982028815.db2.gz LDYSOQYUGLWBNO-UHFFFAOYSA-N 1 1 406.559 3.919 20 30 HHEDMO C=CCOc1ccccc1CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460276087 982051671 /nfs/dbraw/zinc/05/16/71/982051671.db2.gz KDFGTLPCMXUKBI-DHIUTWEWSA-N 1 1 405.542 3.915 20 30 HHEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460286923 982062823 /nfs/dbraw/zinc/06/28/23/982062823.db2.gz XFVGIGLXWAKGIE-IBGZPJMESA-N 1 1 400.530 3.937 20 30 HHEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460371270 982148967 /nfs/dbraw/zinc/14/89/67/982148967.db2.gz AXZYFHPPSXWTEN-SZPZYZBQSA-N 1 1 414.557 3.793 20 30 HHEDMO CC[N@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccc2)CC1 ZINC000460419775 982206730 /nfs/dbraw/zinc/20/67/30/982206730.db2.gz MNXBEQVOHLOUAY-UHFFFAOYSA-N 1 1 400.530 3.591 20 30 HHEDMO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000460541745 982328814 /nfs/dbraw/zinc/32/88/14/982328814.db2.gz GLWLSFAFRLUTAI-IBGZPJMESA-N 1 1 401.599 3.667 20 30 HHEDMO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460542153 982329617 /nfs/dbraw/zinc/32/96/17/982329617.db2.gz IJJKLWXJPUOYLH-MJGOQNOKSA-N 1 1 413.566 3.705 20 30 HHEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000460548211 982334368 /nfs/dbraw/zinc/33/43/68/982334368.db2.gz YKKNAEBZGGLRQX-UHFFFAOYSA-N 1 1 406.509 3.768 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460551025 982337228 /nfs/dbraw/zinc/33/72/28/982337228.db2.gz LMXUNHPZXBHQDL-OALUTQOASA-N 1 1 413.566 3.608 20 30 HHEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000460566439 982351300 /nfs/dbraw/zinc/35/13/00/982351300.db2.gz RXUWSBKXSYAYDG-UONOGXRCSA-N 1 1 407.360 3.531 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000437881592 982432308 /nfs/dbraw/zinc/43/23/08/982432308.db2.gz LIOSMAMPJYPTAX-LJQANCHMSA-N 1 1 406.530 3.731 20 30 HHEDMO Cc1ccc(Br)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460686084 982449652 /nfs/dbraw/zinc/44/96/52/982449652.db2.gz DNAHDBKXVPXUNA-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO Cc1ccc(Br)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460686084 982449655 /nfs/dbraw/zinc/44/96/55/982449655.db2.gz DNAHDBKXVPXUNA-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460791217 982544482 /nfs/dbraw/zinc/54/44/82/982544482.db2.gz FHTSZDWMALBEMV-NQIIRXRSSA-N 1 1 410.566 3.552 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460796178 982549153 /nfs/dbraw/zinc/54/91/53/982549153.db2.gz FNDIADONOOKYHS-WIYYLYMNSA-N 1 1 413.566 3.608 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460807228 982560672 /nfs/dbraw/zinc/56/06/72/982560672.db2.gz ZOEWLXPCPSBCRG-UHFFFAOYSA-N 1 1 413.566 3.851 20 30 HHEDMO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460886661 982624991 /nfs/dbraw/zinc/62/49/91/982624991.db2.gz WLOBHKDAAPIDCZ-KHCICDEESA-N 1 1 418.541 3.791 20 30 HHEDMO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460943231 982680525 /nfs/dbraw/zinc/68/05/25/982680525.db2.gz JNSLBMCYILFDAK-QFIPXVFZSA-N 1 1 407.562 3.985 20 30 HHEDMO C=CCOc1ccc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461217309 982929199 /nfs/dbraw/zinc/92/91/99/982929199.db2.gz HGXUXCIUARIUNC-GOTSBHOMSA-N 1 1 405.542 3.915 20 30 HHEDMO C=CCOc1ccc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461217311 982929335 /nfs/dbraw/zinc/92/93/35/982929335.db2.gz HGXUXCIUARIUNC-XZOQPEGZSA-N 1 1 405.542 3.915 20 30 HHEDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438661304 982979381 /nfs/dbraw/zinc/97/93/81/982979381.db2.gz QVTPOEGGKZKUQC-UHFFFAOYSA-N 1 1 400.454 3.579 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000438843312 983110837 /nfs/dbraw/zinc/11/08/37/983110837.db2.gz SEJMEKYXJFCQTE-UZUQRXQVSA-N 1 1 423.536 3.843 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000438843312 983110839 /nfs/dbraw/zinc/11/08/39/983110839.db2.gz SEJMEKYXJFCQTE-UZUQRXQVSA-N 1 1 423.536 3.843 20 30 HHEDMO C[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000438849443 983115711 /nfs/dbraw/zinc/11/57/11/983115711.db2.gz RUKZAXATDYDLDE-NZQKXSOJSA-N 1 1 405.546 3.541 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cccc(C#N)c1 ZINC000438858441 983124180 /nfs/dbraw/zinc/12/41/80/983124180.db2.gz OFORLWDKZNDVNT-MBSDFSHPSA-N 1 1 405.546 3.704 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cccc(C#N)c1 ZINC000438858441 983124185 /nfs/dbraw/zinc/12/41/85/983124185.db2.gz OFORLWDKZNDVNT-MBSDFSHPSA-N 1 1 405.546 3.704 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000439219538 983315635 /nfs/dbraw/zinc/31/56/35/983315635.db2.gz ANPOKHWRRIPBOV-FQEVSTJZSA-N 1 1 420.513 3.845 20 30 HHEDMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439436938 983408582 /nfs/dbraw/zinc/40/85/82/983408582.db2.gz HIWBFRMZBMLQBF-OAHLLOKOSA-N 1 1 403.935 3.945 20 30 HHEDMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439436938 983408584 /nfs/dbraw/zinc/40/85/84/983408584.db2.gz HIWBFRMZBMLQBF-OAHLLOKOSA-N 1 1 403.935 3.945 20 30 HHEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439612530 983471135 /nfs/dbraw/zinc/47/11/35/983471135.db2.gz SJQXZOXBXTXNQT-DEOSSOPVSA-N 1 1 414.509 3.678 20 30 HHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)[C@H]2CCCC[C@H]12 ZINC000439979704 983603692 /nfs/dbraw/zinc/60/36/92/983603692.db2.gz MOYUVZABGIVWMC-OBQKDBCYSA-N 1 1 416.591 3.742 20 30 HHEDMO Cc1ccc2c(ncc(C#N)c2NCCN2CC[N@H+](C)C(C)(C)C2)c1Br ZINC000440667125 983845108 /nfs/dbraw/zinc/84/51/08/983845108.db2.gz BVVQRHFHPBOHHL-UHFFFAOYSA-N 1 1 416.367 3.615 20 30 HHEDMO Cc1ccc2c(ncc(C#N)c2NCC[N@H+]2CCN(C)C(C)(C)C2)c1Br ZINC000440667125 983845121 /nfs/dbraw/zinc/84/51/21/983845121.db2.gz BVVQRHFHPBOHHL-UHFFFAOYSA-N 1 1 416.367 3.615 20 30 HHEDMO Cc1ccc2c(ncc(C#N)c2NCC[N@@H+]2CCN(C)C(C)(C)C2)c1Br ZINC000440667125 983845132 /nfs/dbraw/zinc/84/51/32/983845132.db2.gz BVVQRHFHPBOHHL-UHFFFAOYSA-N 1 1 416.367 3.615 20 30 HHEDMO CC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1nccs1 ZINC000440688826 983853797 /nfs/dbraw/zinc/85/37/97/983853797.db2.gz BJZDUNWDPJNTNN-OAQYLSRUSA-N 1 1 411.531 3.928 20 30 HHEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440931563 983985772 /nfs/dbraw/zinc/98/57/72/983985772.db2.gz XBQNYUFGNHTRAO-QGZVFWFLSA-N 1 1 422.510 3.589 20 30 HHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440931563 983985777 /nfs/dbraw/zinc/98/57/77/983985777.db2.gz XBQNYUFGNHTRAO-QGZVFWFLSA-N 1 1 422.510 3.589 20 30 HHEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441120118 984077704 /nfs/dbraw/zinc/07/77/04/984077704.db2.gz UXSGADSHPLNEKX-HNNXBMFYSA-N 1 1 408.449 3.529 20 30 HHEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441120118 984077709 /nfs/dbraw/zinc/07/77/09/984077709.db2.gz UXSGADSHPLNEKX-HNNXBMFYSA-N 1 1 408.449 3.529 20 30 HHEDMO COc1cc(OC)cc(OCCC[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000441164031 984097326 /nfs/dbraw/zinc/09/73/26/984097326.db2.gz FKUUXJSZHQPAPB-UHFFFAOYSA-N 1 1 408.458 3.526 20 30 HHEDMO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000441164031 984097332 /nfs/dbraw/zinc/09/73/32/984097332.db2.gz FKUUXJSZHQPAPB-UHFFFAOYSA-N 1 1 408.458 3.526 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H]([C@@H]4CCOC4)C3)sc2C1 ZINC000441227634 984126197 /nfs/dbraw/zinc/12/61/97/984126197.db2.gz LYXKCEHEIDZJNM-IXDOHACOSA-N 1 1 401.576 3.822 20 30 HHEDMO N#Cc1c(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc2c1CCCCC2 ZINC000441396374 984229518 /nfs/dbraw/zinc/22/95/18/984229518.db2.gz QOSZVIAJXDUFPU-OXJNMPFZSA-N 1 1 412.603 3.776 20 30 HHEDMO N#Cc1cc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1OC(F)(F)F ZINC000441574187 984333037 /nfs/dbraw/zinc/33/30/37/984333037.db2.gz PNBBVJPHEJVLDP-SFHVURJKSA-N 1 1 419.403 3.686 20 30 HHEDMO N#Cc1cc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1OC(F)(F)F ZINC000441574187 984333040 /nfs/dbraw/zinc/33/30/40/984333040.db2.gz PNBBVJPHEJVLDP-SFHVURJKSA-N 1 1 419.403 3.686 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000441856401 984502815 /nfs/dbraw/zinc/50/28/15/984502815.db2.gz SFNGSYGUDBBTQQ-LJQANCHMSA-N 1 1 409.530 3.707 20 30 HHEDMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[N@H+]1C ZINC000442168001 984690218 /nfs/dbraw/zinc/69/02/18/984690218.db2.gz JMOOUHHXCQARNK-ZTNFWEORSA-N 1 1 424.932 3.533 20 30 HHEDMO N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)c2)c1 ZINC000461927561 984936122 /nfs/dbraw/zinc/93/61/22/984936122.db2.gz JFEBMBUBUUZFLH-UHFFFAOYSA-N 1 1 415.453 3.647 20 30 HHEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1cccs1 ZINC000462307989 985293972 /nfs/dbraw/zinc/29/39/72/985293972.db2.gz YVCACLBPWQZIOE-RDTXWAMCSA-N 1 1 409.964 3.635 20 30 HHEDMO C[C@@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000462469133 985427652 /nfs/dbraw/zinc/42/76/52/985427652.db2.gz QLVNDJJDVNCNHL-HNNXBMFYSA-N 1 1 414.600 3.877 20 30 HHEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)[C@H]1c1cccs1 ZINC000443238283 985456944 /nfs/dbraw/zinc/45/69/44/985456944.db2.gz URCVKAWMMHAKKN-ACJLOTCBSA-N 1 1 409.964 3.635 20 30 HHEDMO N#Cc1ccc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1O ZINC000443321425 985492805 /nfs/dbraw/zinc/49/28/05/985492805.db2.gz MWNNTHZEQUMQNQ-QGZVFWFLSA-N 1 1 417.431 3.790 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H]1C ZINC000443384910 985542991 /nfs/dbraw/zinc/54/29/91/985542991.db2.gz KZHFCHUSQPNBKJ-YLJYHZDGSA-N 1 1 420.513 3.620 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCC(=O)OC(C)(C)C)sc2C1 ZINC000468136476 985803048 /nfs/dbraw/zinc/80/30/48/985803048.db2.gz OYRIBURYXIUJBD-AWEZNQCLSA-N 1 1 405.564 3.737 20 30 HHEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000443662862 985865066 /nfs/dbraw/zinc/86/50/66/985865066.db2.gz VZERVXABRKJOBM-GUDVDZBRSA-N 1 1 412.578 3.724 20 30 HHEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C#N)c2ccc(F)cc2)C1 ZINC000443900376 986097750 /nfs/dbraw/zinc/09/77/50/986097750.db2.gz NHCCFHRXMMTRQF-OAQYLSRUSA-N 1 1 404.489 3.928 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000463203105 986174930 /nfs/dbraw/zinc/17/49/30/986174930.db2.gz JKADYILHQIIMJX-YTFSRNRJSA-N 1 1 413.562 3.738 20 30 HHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)c1C ZINC000444169327 986344893 /nfs/dbraw/zinc/34/48/93/986344893.db2.gz QODITCFKXMCMNN-KRWDZBQOSA-N 1 1 413.484 3.596 20 30 HHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)c1C ZINC000444169327 986344902 /nfs/dbraw/zinc/34/49/02/986344902.db2.gz QODITCFKXMCMNN-KRWDZBQOSA-N 1 1 413.484 3.596 20 30 HHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000468645782 986359708 /nfs/dbraw/zinc/35/97/08/986359708.db2.gz SAGLLKNNRCPAEN-XMMPIXPASA-N 1 1 405.542 3.834 20 30 HHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000468645782 986359716 /nfs/dbraw/zinc/35/97/16/986359716.db2.gz SAGLLKNNRCPAEN-XMMPIXPASA-N 1 1 405.542 3.834 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000444220022 986404243 /nfs/dbraw/zinc/40/42/43/986404243.db2.gz BKDJVEHWTCLKJI-IBGZPJMESA-N 1 1 408.571 3.837 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463438987 986415766 /nfs/dbraw/zinc/41/57/66/986415766.db2.gz XUGHGSWRYVEFNW-YKSBVNFPSA-N 1 1 412.599 3.968 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000463505273 986480796 /nfs/dbraw/zinc/48/07/96/986480796.db2.gz CJJOQZXCLXVUDH-UHFFFAOYSA-N 1 1 409.530 3.650 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000463691389 986674379 /nfs/dbraw/zinc/67/43/79/986674379.db2.gz RBDRVVRQPNWYQO-ISKFKSNPSA-N 1 1 422.525 3.976 20 30 HHEDMO N#Cc1ccccc1CSCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469009839 986715359 /nfs/dbraw/zinc/71/53/59/986715359.db2.gz OKHVOMAFXQMTNR-UHFFFAOYSA-N 1 1 413.453 3.740 20 30 HHEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469022698 986731370 /nfs/dbraw/zinc/73/13/70/986731370.db2.gz NGMWLSGVGCVFGK-HXUWFJFHSA-N 1 1 400.482 3.807 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000463772826 986763814 /nfs/dbraw/zinc/76/38/14/986763814.db2.gz AZQBYISLSUVMSL-QGZVFWFLSA-N 1 1 400.544 3.964 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000444592694 986780056 /nfs/dbraw/zinc/78/00/56/986780056.db2.gz GQACKGWXOGQVPT-SFHVURJKSA-N 1 1 414.513 3.645 20 30 HHEDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444602186 986788826 /nfs/dbraw/zinc/78/88/26/986788826.db2.gz YWBLASSOLYLONT-FCHUYYIVSA-N 1 1 419.569 3.749 20 30 HHEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677695 986859077 /nfs/dbraw/zinc/85/90/77/986859077.db2.gz UOKCVIKAVGQNFQ-PKTZIBPZSA-N 1 1 406.526 3.929 20 30 HHEDMO C=CCC[C@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000444683755 986862975 /nfs/dbraw/zinc/86/29/75/986862975.db2.gz ISFQIMNKFDOTEI-SFHVURJKSA-N 1 1 409.456 3.916 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1C ZINC000444773084 986932535 /nfs/dbraw/zinc/93/25/35/986932535.db2.gz CASRMJXTGKMQEA-UHFFFAOYSA-N 1 1 419.569 3.867 20 30 HHEDMO C=CC[C@@H]1[N@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CCCC1(C)C ZINC000444788361 986944038 /nfs/dbraw/zinc/94/40/38/986944038.db2.gz USDUJEMGBSRDOZ-NRFANRHFSA-N 1 1 403.611 3.741 20 30 HHEDMO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444793898 986948838 /nfs/dbraw/zinc/94/88/38/986948838.db2.gz UJZUYYPSZTWACQ-UHFFFAOYSA-N 1 1 409.555 3.558 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000444796370 986951513 /nfs/dbraw/zinc/95/15/13/986951513.db2.gz BIRGAWDWKWYFAG-SFHVURJKSA-N 1 1 408.550 3.643 20 30 HHEDMO N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)on2)c1 ZINC000469277976 986996976 /nfs/dbraw/zinc/99/69/76/986996976.db2.gz MVMBZPHIYOSSJI-FQEVSTJZSA-N 1 1 400.482 3.508 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000469716082 987369964 /nfs/dbraw/zinc/36/99/64/987369964.db2.gz BYDQZKGHIPYBBX-ZBFHGGJFSA-N 1 1 413.909 3.520 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000469716082 987369967 /nfs/dbraw/zinc/36/99/67/987369967.db2.gz BYDQZKGHIPYBBX-ZBFHGGJFSA-N 1 1 413.909 3.520 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000469736325 987386766 /nfs/dbraw/zinc/38/67/66/987386766.db2.gz WHWGKRRCBTXTEA-MSOLQXFVSA-N 1 1 413.566 3.713 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000469736325 987386773 /nfs/dbraw/zinc/38/67/73/987386773.db2.gz WHWGKRRCBTXTEA-MSOLQXFVSA-N 1 1 413.566 3.713 20 30 HHEDMO CCCN(C(=O)[C@H](C)c1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000463816818 987913356 /nfs/dbraw/zinc/91/33/56/987913356.db2.gz JUUDBEVROMDPJY-GOSISDBHSA-N 1 1 405.546 3.976 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)cc1OCC ZINC000470150513 988058639 /nfs/dbraw/zinc/05/86/39/988058639.db2.gz WWUHHXXDFDIQOX-DZGCQCFKSA-N 1 1 412.324 3.796 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)cc1OCC ZINC000470150513 988058651 /nfs/dbraw/zinc/05/86/51/988058651.db2.gz WWUHHXXDFDIQOX-DZGCQCFKSA-N 1 1 412.324 3.796 20 30 HHEDMO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 ZINC000470205310 988128426 /nfs/dbraw/zinc/12/84/26/988128426.db2.gz LWZATCWUAUUFPS-OAQYLSRUSA-N 1 1 415.921 3.569 20 30 HHEDMO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 ZINC000470205310 988128434 /nfs/dbraw/zinc/12/84/34/988128434.db2.gz LWZATCWUAUUFPS-OAQYLSRUSA-N 1 1 415.921 3.569 20 30 HHEDMO N#CCCN(C(=O)C[N@H+](CCCO)[C@@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000470221692 988150832 /nfs/dbraw/zinc/15/08/32/988150832.db2.gz ZNXANEKQLRXFTI-JOCHJYFZSA-N 1 1 411.933 3.959 20 30 HHEDMO CC(C)OCC[NH+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000470229998 988163085 /nfs/dbraw/zinc/16/30/85/988163085.db2.gz INJCYWOERHQDFH-UHFFFAOYSA-N 1 1 411.477 3.672 20 30 HHEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000470232934 988168309 /nfs/dbraw/zinc/16/83/09/988168309.db2.gz IXTZRXHAANPVBF-HXUWFJFHSA-N 1 1 403.526 3.941 20 30 HHEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470541058 988548461 /nfs/dbraw/zinc/54/84/61/988548461.db2.gz DRXOUHBLJVYOMO-HXUWFJFHSA-N 1 1 411.550 3.608 20 30 HHEDMO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470800028 988860860 /nfs/dbraw/zinc/86/08/60/988860860.db2.gz AUJPQJHJOCKHBB-HOTGVXAUSA-N 1 1 410.465 3.661 20 30 HHEDMO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000464781588 989008494 /nfs/dbraw/zinc/00/84/94/989008494.db2.gz WBVMHNSMAJGKQH-KOSHJBKYSA-N 1 1 412.578 3.868 20 30 HHEDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000464781588 989008504 /nfs/dbraw/zinc/00/85/04/989008504.db2.gz WBVMHNSMAJGKQH-KOSHJBKYSA-N 1 1 412.578 3.868 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470964458 989028652 /nfs/dbraw/zinc/02/86/52/989028652.db2.gz YOHAZLKRBVXTTL-AEFFLSMTSA-N 1 1 414.619 3.879 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000470980378 989044922 /nfs/dbraw/zinc/04/49/22/989044922.db2.gz XYCICTMDOGIIGW-YGOYIFOWSA-N 1 1 400.526 3.752 20 30 HHEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000470993555 989059030 /nfs/dbraw/zinc/05/90/30/989059030.db2.gz OADVQBSAHCFGKO-RSXGOPAZSA-N 1 1 412.537 3.755 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000464826886 989064785 /nfs/dbraw/zinc/06/47/85/989064785.db2.gz GDWPIMGQASKVEN-DNQXCXABSA-N 1 1 420.532 3.636 20 30 HHEDMO Cc1c(F)cccc1NC(=O)CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471003336 989070233 /nfs/dbraw/zinc/07/02/33/989070233.db2.gz DOPYTWQBFYUFHC-OAQYLSRUSA-N 1 1 414.912 3.999 20 30 HHEDMO N#Cc1c(NC(=O)CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)sc2c1CCC2 ZINC000471004554 989072387 /nfs/dbraw/zinc/07/23/87/989072387.db2.gz CVXHPPOJRNZIOT-KDURUIRLSA-N 1 1 420.582 3.501 20 30 HHEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000471018864 989088963 /nfs/dbraw/zinc/08/89/63/989088963.db2.gz PTBIJUHXMSJULJ-HXUWFJFHSA-N 1 1 400.885 3.690 20 30 HHEDMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000471032716 989105672 /nfs/dbraw/zinc/10/56/72/989105672.db2.gz YOBPOWIOWOJEAI-JOCHJYFZSA-N 1 1 421.589 3.627 20 30 HHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860789 989117238 /nfs/dbraw/zinc/11/72/38/989117238.db2.gz ZXNBCWKHCNTCKM-LMMZVOPTSA-N 1 1 410.606 3.760 20 30 HHEDMO C=CCc1ccc(OCC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000464986414 989291846 /nfs/dbraw/zinc/29/18/46/989291846.db2.gz RXPZIGOOTVGYMP-JOCHJYFZSA-N 1 1 408.542 3.783 20 30 HHEDMO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H](C)c1cccc(O)c1 ZINC000471182258 989313926 /nfs/dbraw/zinc/31/39/26/989313926.db2.gz KYFKOGKDRUWPMP-INIZCTEOSA-N 1 1 404.432 3.962 20 30 HHEDMO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H](C)c1cccc(O)c1 ZINC000471182258 989313935 /nfs/dbraw/zinc/31/39/35/989313935.db2.gz KYFKOGKDRUWPMP-INIZCTEOSA-N 1 1 404.432 3.962 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000465416669 989762887 /nfs/dbraw/zinc/76/28/87/989762887.db2.gz ZIMDFQWXJOMIAD-FCHUYYIVSA-N 1 1 410.562 3.503 20 30 HHEDMO C[C@H](Oc1cnc2ccccc2c1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000471632016 989839654 /nfs/dbraw/zinc/83/96/54/989839654.db2.gz ALUDWMUPKKDQJV-IBGZPJMESA-N 1 1 414.509 3.608 20 30 HHEDMO C[C@H](Oc1cnc2ccccc2c1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000471632016 989839667 /nfs/dbraw/zinc/83/96/67/989839667.db2.gz ALUDWMUPKKDQJV-IBGZPJMESA-N 1 1 414.509 3.608 20 30 HHEDMO CN(C)[C@H](CNc1nc(NC[C@@H](c2ccco2)[NH+](C)C)ccc1C#N)c1ccco1 ZINC000472040800 990210988 /nfs/dbraw/zinc/21/09/88/990210988.db2.gz AETYTWVUMVEWMR-ZWKOTPCHSA-N 1 1 408.506 3.569 20 30 HHEDMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)CC2)[nH+]1 ZINC000465974312 991126872 /nfs/dbraw/zinc/12/68/72/991126872.db2.gz AKANNCYKDMUKHV-YADHBBJMSA-N 1 1 403.530 3.840 20 30 HHEDMO COc1ccc([C@H](C)CCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000466042633 991212187 /nfs/dbraw/zinc/21/21/87/991212187.db2.gz XWVUTAMFAPYCNJ-HXUWFJFHSA-N 1 1 420.557 3.978 20 30 HHEDMO C[N@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H]1c1cccs1 ZINC000466072579 991245766 /nfs/dbraw/zinc/24/57/66/991245766.db2.gz BRHUPRCCBVSNKM-DENIHFKCSA-N 1 1 423.586 3.534 20 30 HHEDMO C[C@]1(CNC(=O)Nc2ncccc2OCCCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000466620399 991936245 /nfs/dbraw/zinc/93/62/45/991936245.db2.gz LZZDMFMEXZIQSC-HSZRJFAPSA-N 1 1 407.518 3.940 20 30 HHEDMO C[C@H](NC(=O)Nc1ncccc1OCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466620213 991936303 /nfs/dbraw/zinc/93/63/03/991936303.db2.gz SYXZBIIBTRKYPW-AZUAARDMSA-N 1 1 407.518 3.796 20 30 HHEDMO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467023726 992331361 /nfs/dbraw/zinc/33/13/61/992331361.db2.gz LTVWNTWKWAZKLH-CYBMUJFWSA-N 1 1 402.292 3.788 20 30 HHEDMO CC(C)C[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000467165532 992483916 /nfs/dbraw/zinc/48/39/16/992483916.db2.gz MTYAXHKHRMMHPS-RTBURBONSA-N 1 1 412.578 3.724 20 30 HHEDMO COc1ccc(C2CC[NH+](CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)cc1 ZINC000467183153 992504721 /nfs/dbraw/zinc/50/47/21/992504721.db2.gz UMKDAKBUNCHGDW-UHFFFAOYSA-N 1 1 415.497 3.571 20 30 HHEDMO C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467244894 992567306 /nfs/dbraw/zinc/56/73/06/992567306.db2.gz GDBWYOZRNITXDV-UHFFFAOYSA-N 1 1 410.356 3.654 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000467430807 992729427 /nfs/dbraw/zinc/72/94/27/992729427.db2.gz SQENPTGMBVZVPP-UHFFFAOYSA-N 1 1 406.526 3.923 20 30 HHEDMO C[C@H]1CC[N@H+](CCOc2ccc(NS(=O)(=O)c3cccc(Cl)c3C#N)cc2)C1 ZINC000467441537 992738216 /nfs/dbraw/zinc/73/82/16/992738216.db2.gz HFZZYJISKBHPSP-HNNXBMFYSA-N 1 1 419.934 3.733 20 30 HHEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NS(=O)(=O)c3cccc(Cl)c3C#N)cc2)C1 ZINC000467441537 992738221 /nfs/dbraw/zinc/73/82/21/992738221.db2.gz HFZZYJISKBHPSP-HNNXBMFYSA-N 1 1 419.934 3.733 20 30 HHEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000480721965 993589875 /nfs/dbraw/zinc/58/98/75/993589875.db2.gz ONRFSNWSQRKJGP-HKUYNNGSSA-N 1 1 401.919 3.517 20 30 HHEDMO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[NH2+][C@H](CO)c1ccsc1)CCCC2 ZINC000473176968 994042982 /nfs/dbraw/zinc/04/29/82/994042982.db2.gz YRSUNPFVRGKAFA-HXUWFJFHSA-N 1 1 420.538 3.551 20 30 HHEDMO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000473432845 994284216 /nfs/dbraw/zinc/28/42/16/994284216.db2.gz GYKDBKZENHLATG-QHCPKHFHSA-N 1 1 407.489 3.732 20 30 HHEDMO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000473432845 994284224 /nfs/dbraw/zinc/28/42/24/994284224.db2.gz GYKDBKZENHLATG-QHCPKHFHSA-N 1 1 407.489 3.732 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473445095 994293196 /nfs/dbraw/zinc/29/31/96/994293196.db2.gz WNPYYXUVSQCCIX-HNNXBMFYSA-N 1 1 415.896 3.747 20 30 HHEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473497000 994342448 /nfs/dbraw/zinc/34/24/48/994342448.db2.gz PTVZGUXBDRCFFU-CJFMBICVSA-N 1 1 403.526 3.840 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccc(F)c(F)c1 ZINC000481578136 994416405 /nfs/dbraw/zinc/41/64/05/994416405.db2.gz CFKHSWCMJXEECJ-LEWJYISDSA-N 1 1 402.441 3.994 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccc(F)c(F)c1 ZINC000481585937 994429618 /nfs/dbraw/zinc/42/96/18/994429618.db2.gz JLPJNHYPFUXNQT-QHCPKHFHSA-N 1 1 416.468 3.774 20 30 HHEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000473659039 994546123 /nfs/dbraw/zinc/54/61/23/994546123.db2.gz JMYREMOGXRBFSC-UHFFFAOYSA-N 1 1 421.545 3.888 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000481702251 994562957 /nfs/dbraw/zinc/56/29/57/994562957.db2.gz NSCZMZVJQIZRSO-RUZDIDTESA-N 1 1 419.525 3.853 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000481702251 994562970 /nfs/dbraw/zinc/56/29/70/994562970.db2.gz NSCZMZVJQIZRSO-RUZDIDTESA-N 1 1 419.525 3.853 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c(OC)c1 ZINC000481707197 994569067 /nfs/dbraw/zinc/56/90/67/994569067.db2.gz NFHBDYOABHFUGO-SQJMNOBHSA-N 1 1 409.526 3.685 20 30 HHEDMO COc1c(Br)cccc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000481901204 994772716 /nfs/dbraw/zinc/77/27/16/994772716.db2.gz ZFUFPLBJTZJADB-UHFFFAOYSA-N 1 1 400.320 3.647 20 30 HHEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000473987505 994974424 /nfs/dbraw/zinc/97/44/24/994974424.db2.gz OCPJTDKBVGSJDP-GOSISDBHSA-N 1 1 405.502 3.616 20 30 HHEDMO COc1cccc([C@H]2[C@@H](NC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@H+]2C2CC2)c1 ZINC000482096640 995039228 /nfs/dbraw/zinc/03/92/28/995039228.db2.gz BUSRCUWFXDGDQF-GOTSBHOMSA-N 1 1 401.510 3.693 20 30 HHEDMO C=CCOc1ccc(C[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C(C)(C)C)cc1 ZINC000474161553 995145822 /nfs/dbraw/zinc/14/58/22/995145822.db2.gz VNQMPYFCBKGYOI-UHFFFAOYSA-N 1 1 407.514 3.837 20 30 HHEDMO C[C@H](NCC1([NH+]2CCSCC2)CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000482185550 995156299 /nfs/dbraw/zinc/15/62/99/995156299.db2.gz LCCFKXHMKZPGSG-INIZCTEOSA-N 1 1 421.010 3.880 20 30 HHEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000474206531 995202338 /nfs/dbraw/zinc/20/23/38/995202338.db2.gz PGLCCXIWXGZPKW-QHCPKHFHSA-N 1 1 409.555 3.544 20 30 HHEDMO C=CC[N@@H+](Cc1ccnn1-c1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000474274344 995270452 /nfs/dbraw/zinc/27/04/52/995270452.db2.gz FSFGJUSTEDWQLY-QGZVFWFLSA-N 1 1 403.465 3.736 20 30 HHEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000482528590 995537366 /nfs/dbraw/zinc/53/73/66/995537366.db2.gz GREYZTBEYITVIE-HDICACEKSA-N 1 1 418.541 3.600 20 30 HHEDMO N#Cc1ccc(F)c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000482612566 995609895 /nfs/dbraw/zinc/60/98/95/995609895.db2.gz WLGGZCOIJOCQIY-REWPJTCUSA-N 1 1 406.505 3.893 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCc4ccc(F)cc43)CC2)cc1 ZINC000474998897 995855554 /nfs/dbraw/zinc/85/55/54/995855554.db2.gz AGDPCYPGRNAZRX-HSZRJFAPSA-N 1 1 406.505 3.992 20 30 HHEDMO C=CCc1cc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc(OC)c1O ZINC000475098807 995920518 /nfs/dbraw/zinc/92/05/18/995920518.db2.gz COTKRQQOHZJJCH-ROUUACIJSA-N 1 1 405.539 3.630 20 30 HHEDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000483033727 995932272 /nfs/dbraw/zinc/93/22/72/995932272.db2.gz UWRIQFHGWILMQG-XMMPIXPASA-N 1 1 408.546 3.854 20 30 HHEDMO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000483179708 996021628 /nfs/dbraw/zinc/02/16/28/996021628.db2.gz CAVBUMMHBNCNCX-KOSHJBKYSA-N 1 1 408.498 3.526 20 30 HHEDMO COc1cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000483179708 996021630 /nfs/dbraw/zinc/02/16/30/996021630.db2.gz CAVBUMMHBNCNCX-KOSHJBKYSA-N 1 1 408.498 3.526 20 30 HHEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+](CC1CC1)C1CCC1)CCCC2 ZINC000483292738 996084276 /nfs/dbraw/zinc/08/42/76/996084276.db2.gz LHRRDGUVLQODLB-LJQANCHMSA-N 1 1 410.562 3.621 20 30 HHEDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000475406851 996119848 /nfs/dbraw/zinc/11/98/48/996119848.db2.gz KVDLYEVTPGCBQW-DYESRHJHSA-N 1 1 408.498 3.777 20 30 HHEDMO CCOc1cc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)ccc1[N+](=O)[O-] ZINC000475486487 996171250 /nfs/dbraw/zinc/17/12/50/996171250.db2.gz LTWKFRZAQWGRAN-UHFFFAOYSA-N 1 1 424.501 3.998 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483482795 996209369 /nfs/dbraw/zinc/20/93/69/996209369.db2.gz KYZRXONNVTZPSL-YMPZKCBVSA-N 1 1 408.590 3.704 20 30 HHEDMO N#Cc1ccsc1NC(=O)CCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483492035 996215280 /nfs/dbraw/zinc/21/52/80/996215280.db2.gz NTLKSURGNHHMDE-NHCUHLMSSA-N 1 1 408.571 3.935 20 30 HHEDMO COc1ccccc1[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)[NH+]1CCCCC1 ZINC000475596165 996237555 /nfs/dbraw/zinc/23/75/55/996237555.db2.gz OZVZQJOLPPMBCG-FQEVSTJZSA-N 1 1 419.591 3.616 20 30 HHEDMO CC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000476329117 996760192 /nfs/dbraw/zinc/76/01/92/996760192.db2.gz HEUMKXOPNJOAQN-XZOQPEGZSA-N 1 1 405.542 3.897 20 30 HHEDMO CC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000476329117 996760199 /nfs/dbraw/zinc/76/01/99/996760199.db2.gz HEUMKXOPNJOAQN-XZOQPEGZSA-N 1 1 405.542 3.897 20 30 HHEDMO CC(C)([C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000484552368 996883756 /nfs/dbraw/zinc/88/37/56/996883756.db2.gz LXNAYNPBYLMDPF-QFIPXVFZSA-N 1 1 412.484 3.980 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3C[C@@H](C)[C@H](CO)C3)sc2C1 ZINC000484701593 997039542 /nfs/dbraw/zinc/03/95/42/997039542.db2.gz AGBPTHFJNJBNHZ-OWCLPIDISA-N 1 1 403.592 3.660 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3C[C@@H](C)[C@H](CO)C3)sc2C1 ZINC000484701593 997039553 /nfs/dbraw/zinc/03/95/53/997039553.db2.gz AGBPTHFJNJBNHZ-OWCLPIDISA-N 1 1 403.592 3.660 20 30 HHEDMO N#Cc1ccccc1OCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000484823349 997183911 /nfs/dbraw/zinc/18/39/11/997183911.db2.gz UEVUCVXQPPYIJA-NRFANRHFSA-N 1 1 417.534 3.914 20 30 HHEDMO N#Cc1ccccc1OCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000484823349 997183916 /nfs/dbraw/zinc/18/39/16/997183916.db2.gz UEVUCVXQPPYIJA-NRFANRHFSA-N 1 1 417.534 3.914 20 30 HHEDMO CC(C)C[C@@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000484936544 997312737 /nfs/dbraw/zinc/31/27/37/997312737.db2.gz RHUKJKNNGSIKGE-NRFANRHFSA-N 1 1 407.514 3.827 20 30 HHEDMO CC[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000485124242 997507696 /nfs/dbraw/zinc/50/76/96/997507696.db2.gz ATDTXCAKSWMGIG-PKTZIBPZSA-N 1 1 421.541 3.511 20 30 HHEDMO CC[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000485124242 997507703 /nfs/dbraw/zinc/50/77/03/997507703.db2.gz ATDTXCAKSWMGIG-PKTZIBPZSA-N 1 1 421.541 3.511 20 30 HHEDMO CC[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000485124240 997508434 /nfs/dbraw/zinc/50/84/34/997508434.db2.gz ATDTXCAKSWMGIG-DHIUTWEWSA-N 1 1 421.541 3.511 20 30 HHEDMO CC[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000485124240 997508441 /nfs/dbraw/zinc/50/84/41/997508441.db2.gz ATDTXCAKSWMGIG-DHIUTWEWSA-N 1 1 421.541 3.511 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(Br)ccc3F)C2=O)cc1 ZINC000485229945 997606626 /nfs/dbraw/zinc/60/66/26/997606626.db2.gz KDBAHTAGGFQLMZ-SFHVURJKSA-N 1 1 402.267 3.745 20 30 HHEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nc2c(s1)CCCC2 ZINC000477003396 997635042 /nfs/dbraw/zinc/63/50/42/997635042.db2.gz PTIAKXUWWFBTQG-UHFFFAOYSA-N 1 1 400.573 3.904 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nc2c(s1)CCCC2 ZINC000477003396 997635052 /nfs/dbraw/zinc/63/50/52/997635052.db2.gz PTIAKXUWWFBTQG-UHFFFAOYSA-N 1 1 400.573 3.904 20 30 HHEDMO Cc1oc(NC(=O)CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477042928 997678112 /nfs/dbraw/zinc/67/81/12/997678112.db2.gz KSKFPGXEUJMRDZ-XMMPIXPASA-N 1 1 406.530 3.695 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(OC)c1 ZINC000477461263 998173728 /nfs/dbraw/zinc/17/37/28/998173728.db2.gz AWNHQUVGNQIPMM-VQTJNVASSA-N 1 1 411.498 3.729 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000477462698 998175268 /nfs/dbraw/zinc/17/52/68/998175268.db2.gz FVHZFLCADHUTKQ-NRFANRHFSA-N 1 1 421.497 3.898 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000477462698 998175275 /nfs/dbraw/zinc/17/52/75/998175275.db2.gz FVHZFLCADHUTKQ-NRFANRHFSA-N 1 1 421.497 3.898 20 30 HHEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000477568222 998285686 /nfs/dbraw/zinc/28/56/86/998285686.db2.gz JLDDVEIMTSNORQ-HXUWFJFHSA-N 1 1 404.407 3.977 20 30 HHEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000477568222 998285695 /nfs/dbraw/zinc/28/56/95/998285695.db2.gz JLDDVEIMTSNORQ-HXUWFJFHSA-N 1 1 404.407 3.977 20 30 HHEDMO CCN(C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1)CC(F)(F)F ZINC000477760691 998508437 /nfs/dbraw/zinc/50/84/37/998508437.db2.gz NNILYRBXLVOSSX-UONOGXRCSA-N 1 1 416.875 3.745 20 30 HHEDMO Cc1ccnc(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)CC2)c1 ZINC000486241915 998670822 /nfs/dbraw/zinc/67/08/22/998670822.db2.gz ULKGPYUXTAOXNX-INIZCTEOSA-N 1 1 423.586 3.599 20 30 HHEDMO COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](C)c3ccc(C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000486249497 998675111 /nfs/dbraw/zinc/67/51/11/998675111.db2.gz JIFXQOQNHASDOY-PBNUPURSSA-N 1 1 404.514 3.905 20 30 HHEDMO Cc1nc(C[NH+]2CCC(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)CC2)oc1C ZINC000478026711 998721168 /nfs/dbraw/zinc/72/11/68/998721168.db2.gz ONKYDCBTAIVUHD-UHFFFAOYSA-N 1 1 421.545 3.749 20 30 HHEDMO C[C@H](c1cccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000478297676 998872002 /nfs/dbraw/zinc/87/20/02/998872002.db2.gz CCLBSADOYUMVGZ-GOSISDBHSA-N 1 1 401.514 3.964 20 30 HHEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000486657810 998879766 /nfs/dbraw/zinc/87/97/66/998879766.db2.gz OQKIGHHZWJBPLO-FQEVSTJZSA-N 1 1 403.526 3.803 20 30 HHEDMO Cc1ccc(N2CCC(NC(=O)NCC#Cc3ccc(C(F)(F)F)cc3)CC2)[nH+]c1 ZINC000478402357 998939512 /nfs/dbraw/zinc/93/95/12/998939512.db2.gz GUYOAGFCGUCZHX-UHFFFAOYSA-N 1 1 416.447 3.729 20 30 HHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000478625411 999052100 /nfs/dbraw/zinc/05/21/00/999052100.db2.gz KIKWHCZCNMRLKG-INIZCTEOSA-N 1 1 401.561 3.905 20 30 HHEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487277007 999121725 /nfs/dbraw/zinc/12/17/25/999121725.db2.gz YUBZWVSUQACXNS-CKUXNOBLSA-N 1 1 405.542 3.988 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487353836 999144362 /nfs/dbraw/zinc/14/43/62/999144362.db2.gz KRQSXDGZVIZGRS-DENIHFKCSA-N 1 1 421.541 3.753 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000487366963 999149093 /nfs/dbraw/zinc/14/90/93/999149093.db2.gz RLHZDPKSWWXNRE-UHFFFAOYSA-N 1 1 413.403 3.738 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000487366963 999149094 /nfs/dbraw/zinc/14/90/94/999149094.db2.gz RLHZDPKSWWXNRE-UHFFFAOYSA-N 1 1 413.403 3.738 20 30 HHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000487398149 999160177 /nfs/dbraw/zinc/16/01/77/999160177.db2.gz PQFWJHYDVQJZOQ-UHFFFAOYSA-N 1 1 400.526 3.856 20 30 HHEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@@H+]1CCc2sccc2C1 ZINC000487937399 999322098 /nfs/dbraw/zinc/32/20/98/999322098.db2.gz XXYAFZBWPIMSLW-LBPRGKRZSA-N 1 1 419.348 3.951 20 30 HHEDMO C[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[N@H+]1CCc2sccc2C1 ZINC000487937399 999322102 /nfs/dbraw/zinc/32/21/02/999322102.db2.gz XXYAFZBWPIMSLW-LBPRGKRZSA-N 1 1 419.348 3.951 20 30 HHEDMO Cc1ccc(-c2nc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cs2)n1C ZINC000479209146 999326845 /nfs/dbraw/zinc/32/68/45/999326845.db2.gz ASHSUISEKPRMCL-UHFFFAOYSA-N 1 1 419.554 3.745 20 30 HHEDMO N#CC1(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC000479282140 999363542 /nfs/dbraw/zinc/36/35/42/999363542.db2.gz KPRVHYLWBHGTBB-DEOSSOPVSA-N 1 1 416.569 3.573 20 30 HHEDMO N#CC1(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC000479282140 999363546 /nfs/dbraw/zinc/36/35/46/999363546.db2.gz KPRVHYLWBHGTBB-DEOSSOPVSA-N 1 1 416.569 3.573 20 30 HHEDMO Cc1cc(CN2CC[N@@H+](Cc3ccc(C#N)c(C)c3)C[C@@H]2c2cnn(C)c2)ccc1C#N ZINC000488308077 999433305 /nfs/dbraw/zinc/43/33/05/999433305.db2.gz MQZBDCOWXKWNFS-AREMUKBSSA-N 1 1 424.552 3.839 20 30 HHEDMO Cc1cc(CN2CC[N@H+](Cc3ccc(C#N)c(C)c3)C[C@@H]2c2cnn(C)c2)ccc1C#N ZINC000488308077 999433310 /nfs/dbraw/zinc/43/33/10/999433310.db2.gz MQZBDCOWXKWNFS-AREMUKBSSA-N 1 1 424.552 3.839 20 30 HHEDMO COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000488459482 999492967 /nfs/dbraw/zinc/49/29/67/999492967.db2.gz GDRYQUZYJMWRLK-AUUYWEPGSA-N 1 1 413.905 3.681 20 30 HHEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc2ccc(Cl)cc2n1C ZINC000488463155 999494724 /nfs/dbraw/zinc/49/47/24/999494724.db2.gz LJQFTHKARUEVNR-KUHUBIRLSA-N 1 1 407.905 3.550 20 30 HHEDMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)c1c[nH]c(C#N)c1)CC2 ZINC000488473238 999498908 /nfs/dbraw/zinc/49/89/08/999498908.db2.gz YOKFIYQLEXYADQ-UHFFFAOYSA-N 1 1 416.481 3.714 20 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CCc1nc(C[NH+]2CCC(CNC(=O)c3cc(C#N)ccc3Cl)CC2)cs1 ZINC000512705766 1004507508 /nfs/dbraw/zinc/50/75/08/1004507508.db2.gz PLIMGOMVVROVHP-UHFFFAOYSA-N 1 1 402.951 3.873 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c1C ZINC000510418802 1004552784 /nfs/dbraw/zinc/55/27/84/1004552784.db2.gz ZOVXBKPXJBUWEV-NRFANRHFSA-N 1 1 401.514 3.847 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000510424928 1004557129 /nfs/dbraw/zinc/55/71/29/1004557129.db2.gz NFJWZFBVFDUQIH-OAQYLSRUSA-N 1 1 401.514 3.847 20 30 HHEDMO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C2 ZINC000512805857 1004569809 /nfs/dbraw/zinc/56/98/09/1004569809.db2.gz NCIPPYVOFIWHDQ-UHFFFAOYSA-N 1 1 420.557 3.854 20 30 HHEDMO CCOC1CC2(C1)CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C2 ZINC000512805857 1004569817 /nfs/dbraw/zinc/56/98/17/1004569817.db2.gz NCIPPYVOFIWHDQ-UHFFFAOYSA-N 1 1 420.557 3.854 20 30 HHEDMO 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HHEDMO COc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000543841519 1009404732 /nfs/dbraw/zinc/40/47/32/1009404732.db2.gz ASLNVSXYDJMBRC-NRFANRHFSA-N 1 1 424.545 3.752 20 30 HHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCOc2ccc(C#N)cc2OC)C1 ZINC000520309329 1009436405 /nfs/dbraw/zinc/43/64/05/1009436405.db2.gz VMIGSAOHEQEDHG-GOSISDBHSA-N 1 1 401.551 3.743 20 30 HHEDMO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)c(F)c1 ZINC000543888786 1009466029 /nfs/dbraw/zinc/46/60/29/1009466029.db2.gz CNAJJCRVBVTCMV-IBGZPJMESA-N 1 1 418.476 3.669 20 30 HHEDMO CCC(CC)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)[NH+]1CCOCC1 ZINC000520478311 1009583312 /nfs/dbraw/zinc/58/33/12/1009583312.db2.gz OFRMBWQDYYDJHD-JOCHJYFZSA-N 1 1 400.567 3.615 20 30 HHEDMO Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1OCC[NH+]1CCCC1 ZINC000546566796 1009588920 /nfs/dbraw/zinc/58/89/20/1009588920.db2.gz PXNHPCXHDDFDLM-UHFFFAOYSA-N 1 1 419.934 3.796 20 30 HHEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000520601008 1009677678 /nfs/dbraw/zinc/67/76/78/1009677678.db2.gz ZAZUCHWTERFEEC-QZTJIDSGSA-N 1 1 418.969 3.603 20 30 HHEDMO Cc1nc(SCC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c(C#N)c(C)c1C ZINC000520641379 1009716447 /nfs/dbraw/zinc/71/64/47/1009716447.db2.gz RDZXMIOOZYZUGM-HNNXBMFYSA-N 1 1 408.571 3.534 20 30 HHEDMO Cn1cc([C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCN2Cc2ccc(CC#N)cc2)cn1 ZINC000544191458 1009793729 /nfs/dbraw/zinc/79/37/29/1009793729.db2.gz YFXSLPXNESRUER-AREMUKBSSA-N 1 1 424.552 3.611 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000520827529 1009887552 /nfs/dbraw/zinc/88/75/52/1009887552.db2.gz JQDCZWWRLCXZAI-IBGZPJMESA-N 1 1 408.571 3.695 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCCO[C@@H](C(C)C)C2)cc1 ZINC000550560026 1010027244 /nfs/dbraw/zinc/02/72/44/1010027244.db2.gz RBKNTNTYTZGUFR-JOCHJYFZSA-N 1 1 424.545 3.660 20 30 HHEDMO 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C[C@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000522094325 1010808143 /nfs/dbraw/zinc/80/81/43/1010808143.db2.gz RBIIXGVFBSQXFP-SFHVURJKSA-N 1 1 417.513 3.728 20 30 HHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2CC)cc1 ZINC000540634241 1011282387 /nfs/dbraw/zinc/28/23/87/1011282387.db2.gz KWACUXVUOYYIMZ-NRFANRHFSA-N 1 1 421.545 3.956 20 30 HHEDMO CC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000540767107 1011422244 /nfs/dbraw/zinc/42/22/44/1011422244.db2.gz ZXOWEDNVVDIXDO-PKTZIBPZSA-N 1 1 403.526 3.651 20 30 HHEDMO CC[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000540767107 1011422250 /nfs/dbraw/zinc/42/22/50/1011422250.db2.gz ZXOWEDNVVDIXDO-PKTZIBPZSA-N 1 1 403.526 3.651 20 30 HHEDMO Cc1cc(NC(=O)N2CCC(CC#N)CC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000541040367 1011677474 /nfs/dbraw/zinc/67/74/74/1011677474.db2.gz ALSBTLXYDXPFHM-OAQYLSRUSA-N 1 1 406.534 3.796 20 30 HHEDMO N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000523226823 1011716139 /nfs/dbraw/zinc/71/61/39/1011716139.db2.gz HEKJHFASSLMZCM-OAQYLSRUSA-N 1 1 401.466 3.735 20 30 HHEDMO C=CC[N@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675227 1011834517 /nfs/dbraw/zinc/83/45/17/1011834517.db2.gz GEQJYHZSWKGLLD-SJORKVTESA-N 1 1 405.502 3.744 20 30 HHEDMO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](Cc4ccc(CC#N)cc4)CC3)n2)cc1 ZINC000541281732 1011975498 /nfs/dbraw/zinc/97/54/98/1011975498.db2.gz KCPSOCUBDLYFCE-IBGZPJMESA-N 1 1 401.514 3.990 20 30 HHEDMO N#Cc1ccc(C[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000541387231 1012109010 /nfs/dbraw/zinc/10/90/10/1012109010.db2.gz XVGKHYJRFLXLOU-JOCHJYFZSA-N 1 1 417.509 3.658 20 30 HHEDMO N#Cc1ccc(C[N@H+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000541387231 1012109023 /nfs/dbraw/zinc/10/90/23/1012109023.db2.gz XVGKHYJRFLXLOU-JOCHJYFZSA-N 1 1 417.509 3.658 20 30 HHEDMO CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000552363183 1012373147 /nfs/dbraw/zinc/37/31/47/1012373147.db2.gz FZFYBVKLFYBHMD-NHCUHLMSSA-N 1 1 402.970 3.621 20 30 HHEDMO CN1CC[N@@H+](CCCNc2nc(C(F)(F)F)ccc2C#N)[C@@H](c2ccccc2)C1 ZINC000523755318 1012381223 /nfs/dbraw/zinc/38/12/23/1012381223.db2.gz MIHHLPUTTIXQMO-GOSISDBHSA-N 1 1 403.452 3.763 20 30 HHEDMO C[N@@H+]1CCN(CCCNc2nc(C(F)(F)F)ccc2C#N)[C@@H](c2ccccc2)C1 ZINC000523755318 1012381237 /nfs/dbraw/zinc/38/12/37/1012381237.db2.gz MIHHLPUTTIXQMO-GOSISDBHSA-N 1 1 403.452 3.763 20 30 HHEDMO C[N@H+]1CCN(CCCNc2nc(C(F)(F)F)ccc2C#N)[C@@H](c2ccccc2)C1 ZINC000523755318 1012381250 /nfs/dbraw/zinc/38/12/50/1012381250.db2.gz MIHHLPUTTIXQMO-GOSISDBHSA-N 1 1 403.452 3.763 20 30 HHEDMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108451 1012478697 /nfs/dbraw/zinc/47/86/97/1012478697.db2.gz UHBAWZVQZCBOKJ-ZWKOTPCHSA-N 1 1 423.536 3.517 20 30 HHEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2c2ccco2)CC1 ZINC000537162132 1012562681 /nfs/dbraw/zinc/56/26/81/1012562681.db2.gz MNEMBHALOJZJMS-MOPGFXCFSA-N 1 1 412.559 3.667 20 30 HHEDMO C=CCc1cc(CNC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000523877570 1012574661 /nfs/dbraw/zinc/57/46/61/1012574661.db2.gz FCYVDCVLQCKKMO-KSZLIROESA-N 1 1 403.567 3.598 20 30 HHEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1OC ZINC000523891467 1012595866 /nfs/dbraw/zinc/59/58/66/1012595866.db2.gz BUSYRQNUDHFRNQ-XXBNENTESA-N 1 1 401.551 3.545 20 30 HHEDMO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000541791858 1012664328 /nfs/dbraw/zinc/66/43/28/1012664328.db2.gz KNUPLTZJFBSNHX-OAHLLOKOSA-N 1 1 421.925 3.513 20 30 HHEDMO C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000523998025 1012745656 /nfs/dbraw/zinc/74/56/56/1012745656.db2.gz SUFIXFPZRWBYKJ-SFHVURJKSA-N 1 1 415.493 3.907 20 30 HHEDMO C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000523998025 1012745672 /nfs/dbraw/zinc/74/56/72/1012745672.db2.gz SUFIXFPZRWBYKJ-SFHVURJKSA-N 1 1 415.493 3.907 20 30 HHEDMO CCCOc1ccc(NC(=O)NC(=O)C[NH+]2CCC(CC#N)CC2)cc1OCCC ZINC000541950607 1012812105 /nfs/dbraw/zinc/81/21/05/1012812105.db2.gz LCVRGADQRBJGGP-UHFFFAOYSA-N 1 1 416.522 3.538 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541973583 1012839850 /nfs/dbraw/zinc/83/98/50/1012839850.db2.gz XPTMNSSZJRXTQF-FXAWDEMLSA-N 1 1 424.570 3.827 20 30 HHEDMO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000542015073 1012901535 /nfs/dbraw/zinc/90/15/35/1012901535.db2.gz FMRZRFFAUWKTPY-UHFFFAOYSA-N 1 1 416.591 3.601 20 30 HHEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000542025750 1012920152 /nfs/dbraw/zinc/92/01/52/1012920152.db2.gz FIALOZMEPALPDD-HNAYVOBHSA-N 1 1 424.936 3.878 20 30 HHEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542034165 1012933089 /nfs/dbraw/zinc/93/30/89/1012933089.db2.gz WGSHVMMERLRLOG-QGZVFWFLSA-N 1 1 400.914 3.735 20 30 HHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(OC3COC3)c(F)c2)no1 ZINC001211975842 1071829771 /nfs/dbraw/zinc/82/97/71/1071829771.db2.gz RFGIGMHIVVCDEF-LPHOPBHVSA-N 1 1 419.497 3.731 20 30 HHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(OC)c(OC)cc2F)no1 ZINC001211975374 1071829147 /nfs/dbraw/zinc/82/91/47/1071829147.db2.gz FNHKFFOTZNRCRS-YOEHRIQHSA-N 1 1 407.486 3.971 20 30 HHEDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 ZINC001126744091 1071846397 /nfs/dbraw/zinc/84/63/97/1071846397.db2.gz MHUCBVCJAHNMOI-DHIUTWEWSA-N 1 1 416.481 3.725 20 30 HHEDMO N#CCOc1cccc(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000760403300 1072328870 /nfs/dbraw/zinc/32/88/70/1072328870.db2.gz MAVGLTOWDGMPPL-LADGPHEKSA-N 1 1 403.526 3.645 20 30 HHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000760418209 1072341521 /nfs/dbraw/zinc/34/15/21/1072341521.db2.gz IISMSYCMJCGFTL-UZLBHIALSA-N 1 1 420.550 3.633 20 30 HHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000760418209 1072341532 /nfs/dbraw/zinc/34/15/32/1072341532.db2.gz IISMSYCMJCGFTL-UZLBHIALSA-N 1 1 420.550 3.633 20 30 HHEDMO Cc1cccc2c1ncc(C#N)c2N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000588070542 1072776995 /nfs/dbraw/zinc/77/69/95/1072776995.db2.gz SWOKAGHVGSHHDV-HSZRJFAPSA-N 1 1 411.553 3.811 20 30 HHEDMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](Nc1ccc(N)nn1)c1ccnc2ccc(OC)cc21 ZINC001168384581 1073288987 /nfs/dbraw/zinc/28/89/87/1073288987.db2.gz SEVDYXOTJRGBEU-ACVJBKQYSA-N 1 1 416.529 3.665 20 30 HHEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555256423 1073290746 /nfs/dbraw/zinc/29/07/46/1073290746.db2.gz ZGTUVQIAGSIZHI-NRFANRHFSA-N 1 1 402.546 3.875 20 30 HHEDMO CC(C)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000555263912 1073296222 /nfs/dbraw/zinc/29/62/22/1073296222.db2.gz DPCRRRWSLQCNEI-IBGZPJMESA-N 1 1 416.447 3.785 20 30 HHEDMO C=C(C)Cn1c(CC2CC2)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555268499 1073300550 /nfs/dbraw/zinc/30/05/50/1073300550.db2.gz MKSZVKUXTDWHJZ-KDURUIRLSA-N 1 1 401.599 3.522 20 30 HHEDMO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000555343870 1073355003 /nfs/dbraw/zinc/35/50/03/1073355003.db2.gz DIGXMTDBFYZTME-UNMCSNQZSA-N 1 1 404.562 3.926 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000590212899 1073684698 /nfs/dbraw/zinc/68/46/98/1073684698.db2.gz JTRDTUAHSYNMOZ-HNNXBMFYSA-N 1 1 404.580 3.627 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000760591529 1074092900 /nfs/dbraw/zinc/09/29/00/1074092900.db2.gz UXNBCFIXJHLYGV-DVECYGJZSA-N 1 1 420.557 3.594 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000760591529 1074092911 /nfs/dbraw/zinc/09/29/11/1074092911.db2.gz UXNBCFIXJHLYGV-DVECYGJZSA-N 1 1 420.557 3.594 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(Oc4cncc(Cl)c4)CC3)C2=O)cc1 ZINC000568587921 1074177340 /nfs/dbraw/zinc/17/73/40/1074177340.db2.gz YTOLRGNSIRJSPT-OAQYLSRUSA-N 1 1 410.905 3.645 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000591512075 1074346132 /nfs/dbraw/zinc/34/61/32/1074346132.db2.gz XUZHDGOWIIVJFJ-UHFFFAOYSA-N 1 1 422.573 3.923 20 30 HHEDMO C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000573490812 1074526563 /nfs/dbraw/zinc/52/65/63/1074526563.db2.gz ZULZMUTZIJASGN-FQEVSTJZSA-N 1 1 405.546 3.943 20 30 HHEDMO Oc1ccc(Br)cc1/C=N\C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760977990 1074770256 /nfs/dbraw/zinc/77/02/56/1074770256.db2.gz FUDFJPSNBQWTDI-ZIHVZMLCSA-N 1 1 403.320 3.865 20 30 HHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628418 719069192 /nfs/dbraw/zinc/06/91/92/719069192.db2.gz RPWRDASOSHNTJU-YLJYHZDGSA-N 1 1 424.932 3.884 20 30 HHEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(Cl)c1C#N)CC2 ZINC001164711152 720106613 /nfs/dbraw/zinc/10/66/13/720106613.db2.gz OTQHAVPZOMZYIT-GOSISDBHSA-N 1 1 411.937 3.509 20 30 HHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)cc(C#N)n1)CC2 ZINC001164714150 720112148 /nfs/dbraw/zinc/11/21/48/720112148.db2.gz AGMCNXKQKBFEOD-FQEVSTJZSA-N 1 1 411.937 3.509 20 30 HHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001164813618 720192998 /nfs/dbraw/zinc/19/29/98/720192998.db2.gz CRLVPGFIOTXLTQ-JPYJTQIMSA-N 1 1 410.949 3.945 20 30 HHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(C#N)c(Cl)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838730 720634627 /nfs/dbraw/zinc/63/46/27/720634627.db2.gz LFVLJIUDLNPKLX-ZRGWGRIASA-N 1 1 419.360 3.834 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccnc(Cl)c1C#N)[C@@H]2C ZINC001164861887 720929903 /nfs/dbraw/zinc/92/99/03/720929903.db2.gz USUUIUCKKIBJMK-CYBMUJFWSA-N 1 1 408.884 3.769 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)[C@H]2C ZINC001164861433 720966857 /nfs/dbraw/zinc/96/68/57/720966857.db2.gz SGLVYYIBXISKSS-ZDUSSCGKSA-N 1 1 408.884 3.769 20 30 HHEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879430 721150345 /nfs/dbraw/zinc/15/03/45/721150345.db2.gz SDQZIVFZKZILOX-VQTJNVASSA-N 1 1 417.538 3.556 20 30 HHEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC001165056022 722020126 /nfs/dbraw/zinc/02/01/26/722020126.db2.gz UOOXIQPJVSOEIV-UHFFFAOYSA-N 1 1 420.904 3.554 20 30 HHEDMO CCOC(=O)c1cc(C)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164995249 722196858 /nfs/dbraw/zinc/19/68/58/722196858.db2.gz SVKDEHLICMIMDW-XMMPIXPASA-N 1 1 422.504 3.822 20 30 HHEDMO CC(C)[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](O)COc1cccc2ccccc21 ZINC000302849963 971352531 /nfs/dbraw/zinc/35/25/31/971352531.db2.gz SOPKVMCWNRQYJO-OAQYLSRUSA-N 1 1 423.557 3.633 20 30 HHEDMO N#CCCn1cc(C(=O)CN2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000302907851 971385718 /nfs/dbraw/zinc/38/57/18/971385718.db2.gz FJEDDGDKKOUSTG-UHFFFAOYSA-N 1 1 400.526 3.598 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1C#N ZINC000303025784 971463149 /nfs/dbraw/zinc/46/31/49/971463149.db2.gz MUPDIMPORCLDOZ-FQEVSTJZSA-N 1 1 424.545 3.980 20 30 HHEDMO CCOc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000303343820 971644713 /nfs/dbraw/zinc/64/47/13/971644713.db2.gz POONINKFTGUMEB-UHFFFAOYSA-N 1 1 410.493 3.514 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCN(c2ccccc2)C1=O ZINC000303359758 971657575 /nfs/dbraw/zinc/65/75/75/971657575.db2.gz IVXUZUXQNRHSIC-IBGZPJMESA-N 1 1 422.554 3.564 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1C#N ZINC000303417983 971695259 /nfs/dbraw/zinc/69/52/59/971695259.db2.gz WXRUXHVXXODPHE-KRWDZBQOSA-N 1 1 406.486 3.955 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1C#N ZINC000303417983 971695263 /nfs/dbraw/zinc/69/52/63/971695263.db2.gz WXRUXHVXXODPHE-KRWDZBQOSA-N 1 1 406.486 3.955 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000303585155 971877137 /nfs/dbraw/zinc/87/71/37/971877137.db2.gz LERSDNXPRUTHEP-UHFFFAOYSA-N 1 1 403.461 3.529 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000303585155 971877142 /nfs/dbraw/zinc/87/71/42/971877142.db2.gz LERSDNXPRUTHEP-UHFFFAOYSA-N 1 1 403.461 3.529 20 30 HHEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c2ccccc21 ZINC000303792917 972031005 /nfs/dbraw/zinc/03/10/05/972031005.db2.gz VGHMQPZYZQDATK-SFHVURJKSA-N 1 1 412.497 3.660 20 30 HHEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c2ccccc21 ZINC000303792917 972031011 /nfs/dbraw/zinc/03/10/11/972031011.db2.gz VGHMQPZYZQDATK-SFHVURJKSA-N 1 1 412.497 3.660 20 30 HHEDMO N#Cc1ccc(N2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)c(F)c1 ZINC000303820257 972052652 /nfs/dbraw/zinc/05/26/52/972052652.db2.gz XMMLGHCOELYDMM-UHFFFAOYSA-N 1 1 411.868 3.765 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000537625382 1013174218 /nfs/dbraw/zinc/17/42/18/1013174218.db2.gz DBIRULRDDMQWKD-PKTZIBPZSA-N 1 1 403.526 3.863 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000537625382 1013174228 /nfs/dbraw/zinc/17/42/28/1013174228.db2.gz DBIRULRDDMQWKD-PKTZIBPZSA-N 1 1 403.526 3.863 20 30 HHEDMO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC(C)(C)C1 ZINC000542251785 1013211327 /nfs/dbraw/zinc/21/13/27/1013211327.db2.gz PJCTWHFHNICQKN-ZWKOTPCHSA-N 1 1 412.578 3.724 20 30 HHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC(C)(C)C1 ZINC000542251785 1013211346 /nfs/dbraw/zinc/21/13/46/1013211346.db2.gz PJCTWHFHNICQKN-ZWKOTPCHSA-N 1 1 412.578 3.724 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537706151 1013271367 /nfs/dbraw/zinc/27/13/67/1013271367.db2.gz RBTHTLYHVRMXDC-HNNXBMFYSA-N 1 1 420.498 3.696 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537706151 1013271373 /nfs/dbraw/zinc/27/13/73/1013271373.db2.gz RBTHTLYHVRMXDC-HNNXBMFYSA-N 1 1 420.498 3.696 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CCc2ccccc2O)c1C#N ZINC000542322515 1013277688 /nfs/dbraw/zinc/27/76/88/1013277688.db2.gz JBWRVCHDVSUYEV-UHFFFAOYSA-N 1 1 420.513 3.827 20 30 HHEDMO CCOc1ccc([C@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000542323283 1013277855 /nfs/dbraw/zinc/27/78/55/1013277855.db2.gz QRNHQFQDEYQLIC-KRWDZBQOSA-N 1 1 407.514 3.807 20 30 HHEDMO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000542323283 1013277862 /nfs/dbraw/zinc/27/78/62/1013277862.db2.gz QRNHQFQDEYQLIC-KRWDZBQOSA-N 1 1 407.514 3.807 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553357516 1013297418 /nfs/dbraw/zinc/29/74/18/1013297418.db2.gz SWVLQIHLJGWICS-INIZCTEOSA-N 1 1 405.477 3.979 20 30 HHEDMO C=CC[C@@H](C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000553377469 1013312498 /nfs/dbraw/zinc/31/24/98/1013312498.db2.gz GJCPUXLTVBDNNH-LOSJGSFVSA-N 1 1 403.570 3.765 20 30 HHEDMO C[C@@H]1C[N@H+](CCC2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C[C@H](C)O1 ZINC000553444097 1013358075 /nfs/dbraw/zinc/35/80/75/1013358075.db2.gz UBLLGNBTWVFCFK-IYBDPMFKSA-N 1 1 401.942 3.575 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000542425614 1013377862 /nfs/dbraw/zinc/37/78/62/1013377862.db2.gz TXYIDHJKFHXIHL-RBUKOAKNSA-N 1 1 422.529 3.710 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553511092 1013410366 /nfs/dbraw/zinc/41/03/66/1013410366.db2.gz PHCVSFWDENSLND-RUZDIDTESA-N 1 1 406.526 3.998 20 30 HHEDMO N#Cc1ccc(CN2CC[NH+](CCOc3cccc(Br)c3)CC2)cc1 ZINC000022781304 963715381 /nfs/dbraw/zinc/71/53/81/963715381.db2.gz BMTFPXKQZHFIRS-UHFFFAOYSA-N 1 1 400.320 3.517 20 30 HHEDMO CCc1ccc(-c2noc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000022850484 963728649 /nfs/dbraw/zinc/72/86/49/963728649.db2.gz GVOCDBCSCYFGMS-UHFFFAOYSA-N 1 1 401.514 3.879 20 30 HHEDMO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000048827756 964068384 /nfs/dbraw/zinc/06/83/84/964068384.db2.gz YXOHEOGPPWPTOK-OTWHNJEPSA-N 1 1 406.530 3.728 20 30 HHEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)C1CC1 ZINC000025034834 964147754 /nfs/dbraw/zinc/14/77/54/964147754.db2.gz ATTSQTINUNYSSQ-FQEVSTJZSA-N 1 1 402.951 3.938 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000051050087 964450000 /nfs/dbraw/zinc/45/00/00/964450000.db2.gz DJYVZEDPSMEOMX-LSDHHAIUSA-N 1 1 418.563 3.910 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000051050087 964450006 /nfs/dbraw/zinc/45/00/06/964450006.db2.gz DJYVZEDPSMEOMX-LSDHHAIUSA-N 1 1 418.563 3.910 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051052648 964451954 /nfs/dbraw/zinc/45/19/54/964451954.db2.gz KVDLNTTZXIGAMD-RDJZCZTQSA-N 1 1 404.942 3.557 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026330710 964526466 /nfs/dbraw/zinc/52/64/66/964526466.db2.gz ALRPWJFUKJOKRK-CYBMUJFWSA-N 1 1 419.266 3.622 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026330710 964526478 /nfs/dbraw/zinc/52/64/78/964526478.db2.gz ALRPWJFUKJOKRK-CYBMUJFWSA-N 1 1 419.266 3.622 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801124 964986941 /nfs/dbraw/zinc/98/69/41/964986941.db2.gz VJEPTBUGLBWAFX-MRXNPFEDSA-N 1 1 414.456 3.699 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801124 964986949 /nfs/dbraw/zinc/98/69/49/964986949.db2.gz VJEPTBUGLBWAFX-MRXNPFEDSA-N 1 1 414.456 3.699 20 30 HHEDMO Cc1ccc([C@H](NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000028155097 965047523 /nfs/dbraw/zinc/04/75/23/965047523.db2.gz XTBQRGJHKDGNAA-SANMLTNESA-N 1 1 416.569 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YNXVZWCUVFKLRD-OYRHEFFESA-N 1 1 411.594 3.538 20 30 HHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000046854447 967992163 /nfs/dbraw/zinc/99/21/63/967992163.db2.gz MYYCBOLFHVGXDB-UHFFFAOYSA-N 1 1 418.994 3.921 20 30 HHEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000047011788 968031462 /nfs/dbraw/zinc/03/14/62/968031462.db2.gz CIHHIWISRHVITA-UHFFFAOYSA-N 1 1 407.905 3.806 20 30 HHEDMO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1OC ZINC000047714988 968284399 /nfs/dbraw/zinc/28/43/99/968284399.db2.gz YVFZILFGKSWGED-UHFFFAOYSA-N 1 1 416.468 3.933 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911336 968359835 /nfs/dbraw/zinc/35/98/35/968359835.db2.gz GSSRYKDCUVFYIM-RDJZCZTQSA-N 1 1 410.326 3.845 20 30 HHEDMO COc1ccccc1[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000047914194 968361153 /nfs/dbraw/zinc/36/11/53/968361153.db2.gz BFQJZPOYYHZOPY-IBGZPJMESA-N 1 1 419.447 3.668 20 30 HHEDMO 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ZINC000071952238 968904981 /nfs/dbraw/zinc/90/49/81/968904981.db2.gz RDMVKTXOAMKDFG-HSZRJFAPSA-N 1 1 402.542 3.654 20 30 HHEDMO COc1ccc(N2CCC[N@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)cc1 ZINC000097476996 969143799 /nfs/dbraw/zinc/14/37/99/969143799.db2.gz LQPHCBHVGDYKHU-UHFFFAOYSA-N 1 1 420.557 3.771 20 30 HHEDMO COc1ccc(N2CCC[N@@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)cc1 ZINC000097476996 969143804 /nfs/dbraw/zinc/14/38/04/969143804.db2.gz LQPHCBHVGDYKHU-UHFFFAOYSA-N 1 1 420.557 3.771 20 30 HHEDMO C#CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC000097491164 969145447 /nfs/dbraw/zinc/14/54/47/969145447.db2.gz MHUHQEKSLDVTJR-DHIUTWEWSA-N 1 1 418.537 3.990 20 30 HHEDMO C#CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC000097491164 969145454 /nfs/dbraw/zinc/14/54/54/969145454.db2.gz MHUHQEKSLDVTJR-DHIUTWEWSA-N 1 1 418.537 3.990 20 30 HHEDMO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)c2cccs2)CC1 ZINC000097549493 969158552 /nfs/dbraw/zinc/15/85/52/969158552.db2.gz RTCLNGAMEPAXMF-SFHVURJKSA-N 1 1 407.536 3.510 20 30 HHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000554242990 1013869551 /nfs/dbraw/zinc/86/95/51/1013869551.db2.gz KWOOSAQKQWVUSH-GOSISDBHSA-N 1 1 420.538 3.564 20 30 HHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000554242990 1013869560 /nfs/dbraw/zinc/86/95/60/1013869560.db2.gz KWOOSAQKQWVUSH-GOSISDBHSA-N 1 1 420.538 3.564 20 30 HHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000110007052 969608616 /nfs/dbraw/zinc/60/86/16/969608616.db2.gz USOYHBWUENCVTH-QGZVFWFLSA-N 1 1 405.433 3.565 20 30 HHEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000110007052 969608619 /nfs/dbraw/zinc/60/86/19/969608619.db2.gz USOYHBWUENCVTH-QGZVFWFLSA-N 1 1 405.433 3.565 20 30 HHEDMO C#CC[N@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H]1CCc2ccccc21 ZINC000110981592 969753632 /nfs/dbraw/zinc/75/36/32/969753632.db2.gz UDVXMQWSUBAHQD-FQEVSTJZSA-N 1 1 408.498 3.664 20 30 HHEDMO Cc1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)n1 ZINC000110985508 969754425 /nfs/dbraw/zinc/75/44/25/969754425.db2.gz OIJSRYDWLOEWDD-UKRRQHHQSA-N 1 1 413.547 3.644 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000111176563 969794553 /nfs/dbraw/zinc/79/45/53/969794553.db2.gz CCCMFLCHLMXIMW-HSZRJFAPSA-N 1 1 417.488 3.757 20 30 HHEDMO C[N@@H+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1 ZINC000195633016 969921332 /nfs/dbraw/zinc/92/13/32/969921332.db2.gz ZWPFQHQRZQDVKC-HXUWFJFHSA-N 1 1 401.432 3.755 20 30 HHEDMO C[N@H+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1 ZINC000195633016 969921333 /nfs/dbraw/zinc/92/13/33/969921333.db2.gz ZWPFQHQRZQDVKC-HXUWFJFHSA-N 1 1 401.432 3.755 20 30 HHEDMO N#Cc1ccccc1CSCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000195661863 969940604 /nfs/dbraw/zinc/94/06/04/969940604.db2.gz PLQCIDXPABQQMR-FQEVSTJZSA-N 1 1 411.546 3.959 20 30 HHEDMO C[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](c2ccccc2)C1 ZINC000216351543 970071614 /nfs/dbraw/zinc/07/16/14/970071614.db2.gz CYENJJSSDMSWBP-HXUWFJFHSA-N 1 1 408.571 3.816 20 30 HHEDMO CN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](c2ccccc2)C1 ZINC000216351543 970071621 /nfs/dbraw/zinc/07/16/21/970071621.db2.gz CYENJJSSDMSWBP-HXUWFJFHSA-N 1 1 408.571 3.816 20 30 HHEDMO CN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](c2ccccc2)C1 ZINC000216351543 970071631 /nfs/dbraw/zinc/07/16/31/970071631.db2.gz CYENJJSSDMSWBP-HXUWFJFHSA-N 1 1 408.571 3.816 20 30 HHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000218894786 970087347 /nfs/dbraw/zinc/08/73/47/970087347.db2.gz OBDJDIZVSAHCMI-JKSUJKDBSA-N 1 1 423.483 3.741 20 30 HHEDMO Cc1ccccc1C[NH+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000220250917 970097055 /nfs/dbraw/zinc/09/70/55/970097055.db2.gz QNTXWMLGDWNXQQ-UHFFFAOYSA-N 1 1 415.459 3.893 20 30 HHEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000220247288 970097226 /nfs/dbraw/zinc/09/72/26/970097226.db2.gz KLUIMZKQEXNGTP-UHFFFAOYSA-N 1 1 415.459 3.627 20 30 HHEDMO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000237607508 970320827 /nfs/dbraw/zinc/32/08/27/970320827.db2.gz DRRRBJUANWJNNM-IBGZPJMESA-N 1 1 409.553 3.778 20 30 HHEDMO C[C@@H](c1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1)[NH+]1CCOCC1 ZINC000554577757 1013981349 /nfs/dbraw/zinc/98/13/49/1013981349.db2.gz JROGQQZTFNTFEA-IBGZPJMESA-N 1 1 419.529 3.564 20 30 HHEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(C(=O)OC)o2)cc1OC ZINC000554620410 1013990917 /nfs/dbraw/zinc/99/09/17/1013990917.db2.gz YASDIHXDROGQFJ-UHFFFAOYSA-N 1 1 410.264 3.692 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC000150333548 970442955 /nfs/dbraw/zinc/44/29/55/970442955.db2.gz OYRLBYWDKGYQKX-FXAWDEMLSA-N 1 1 407.562 3.931 20 30 HHEDMO [NH2+]=C(NCC1(CN2CCOCC2)CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304811901 972606914 /nfs/dbraw/zinc/60/69/14/972606914.db2.gz NARQKLQSABPESF-UHFFFAOYSA-N 1 1 414.472 3.595 20 30 HHEDMO N#Cc1ccc(Br)cc1N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000404215813 972883443 /nfs/dbraw/zinc/88/34/43/972883443.db2.gz XJBDIFWHOCQZFH-NHCUHLMSSA-N 1 1 412.331 3.800 20 30 HHEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccco1 ZINC000409587766 973036496 /nfs/dbraw/zinc/03/64/96/973036496.db2.gz BRKMCFGRXWTBHZ-MRXNPFEDSA-N 1 1 415.437 3.531 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409756962 973233335 /nfs/dbraw/zinc/23/33/35/973233335.db2.gz AXIOJGHFGZZOIM-JOCHJYFZSA-N 1 1 413.525 3.728 20 30 HHEDMO C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)Nc1ccccc1C#N ZINC000409856491 973325178 /nfs/dbraw/zinc/32/51/78/973325178.db2.gz HTRRTMHGKPSVJK-PXAZEXFGSA-N 1 1 400.276 3.761 20 30 HHEDMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000410312082 973855634 /nfs/dbraw/zinc/85/56/34/973855634.db2.gz MXDODDOPKPSWJM-UHFFFAOYSA-N 1 1 408.340 3.728 20 30 HHEDMO C=CCc1cc(C[N@H+](CCO)Cc2cc(Br)cs2)cc(OC)c1O ZINC000426385237 974425729 /nfs/dbraw/zinc/42/57/29/974425729.db2.gz MBXFJBYACXTUAY-UHFFFAOYSA-N 1 1 412.349 3.948 20 30 HHEDMO C=CCc1cc(C[N@@H+](CCO)Cc2cc(Br)cs2)cc(OC)c1O ZINC000426385237 974425733 /nfs/dbraw/zinc/42/57/33/974425733.db2.gz MBXFJBYACXTUAY-UHFFFAOYSA-N 1 1 412.349 3.948 20 30 HHEDMO N#Cc1ncn(-c2ccccc2NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000426798930 974668653 /nfs/dbraw/zinc/66/86/53/974668653.db2.gz GSUOCPADLGLIDD-KRWDZBQOSA-N 1 1 415.501 3.584 20 30 HHEDMO Cc1ccc(-c2noc(CCC[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)cc1F ZINC000428775706 976048941 /nfs/dbraw/zinc/04/89/41/976048941.db2.gz AQGKIMJSGNBGNJ-SFHVURJKSA-N 1 1 407.449 3.537 20 30 HHEDMO COCc1cccc(OCC2(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)CCC2)c1 ZINC000428793624 976069858 /nfs/dbraw/zinc/06/98/58/976069858.db2.gz KTEIFRCVIVPQHA-QFIPXVFZSA-N 1 1 407.514 3.802 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)nc1 ZINC000428801522 976079392 /nfs/dbraw/zinc/07/93/92/976079392.db2.gz HWGBRRVZFMJYIL-ISKFKSNPSA-N 1 1 415.493 3.513 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H](C3CCC3)C2)sc2c1CCCCC2 ZINC000429006082 976286653 /nfs/dbraw/zinc/28/66/53/976286653.db2.gz KNDHTIPMTXXJCM-KRWDZBQOSA-N 1 1 401.576 3.966 20 30 HHEDMO N#Cc1ccc(CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000429036070 976319407 /nfs/dbraw/zinc/31/94/07/976319407.db2.gz QMJDTUDGQYZDHU-XMMPIXPASA-N 1 1 418.541 3.523 20 30 HHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000429057054 976344320 /nfs/dbraw/zinc/34/43/20/976344320.db2.gz VZHQYLLCQNQHRN-MRXNPFEDSA-N 1 1 410.909 3.894 20 30 HHEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000429222149 976515560 /nfs/dbraw/zinc/51/55/60/976515560.db2.gz PYTYMAKNSRMGLQ-IYBDPMFKSA-N 1 1 404.942 3.955 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1C#N ZINC000429248800 976538123 /nfs/dbraw/zinc/53/81/23/976538123.db2.gz XJUATYFSEUQTKG-QFIPXVFZSA-N 1 1 420.557 3.712 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1C#N ZINC000429248800 976538128 /nfs/dbraw/zinc/53/81/28/976538128.db2.gz XJUATYFSEUQTKG-QFIPXVFZSA-N 1 1 420.557 3.712 20 30 HHEDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@H]1C(C)C ZINC000429354872 976621176 /nfs/dbraw/zinc/62/11/76/976621176.db2.gz PPUDBWWNDVZUPW-FTRWYGJKSA-N 1 1 403.548 3.539 20 30 HHEDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000429385688 976659138 /nfs/dbraw/zinc/65/91/38/976659138.db2.gz IEVQPQFQNLYBMG-XMMPIXPASA-N 1 1 424.633 3.994 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429595044 976873109 /nfs/dbraw/zinc/87/31/09/976873109.db2.gz UHCZAASVYWSXER-KDURUIRLSA-N 1 1 407.562 3.950 20 30 HHEDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000430107996 977322740 /nfs/dbraw/zinc/32/27/40/977322740.db2.gz SWHYVEQICRQHLN-VWLOTQADSA-N 1 1 414.509 3.780 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1C ZINC000430308181 977466787 /nfs/dbraw/zinc/46/67/87/977466787.db2.gz ZWUPGHJJRHNPDR-NRFANRHFSA-N 1 1 418.541 3.535 20 30 HHEDMO CN(C(=O)[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1)c1ccccc1 ZINC000430870402 977834222 /nfs/dbraw/zinc/83/42/22/977834222.db2.gz UKEJSANPXUJIPE-NRFANRHFSA-N 1 1 413.525 3.949 20 30 HHEDMO C=CCN1C(=O)N([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[C@H]1Cc1ccccc1 ZINC000431224089 978104904 /nfs/dbraw/zinc/10/49/04/978104904.db2.gz MJOOOWAJRXJAOL-WWPVKYPJSA-N 1 1 403.526 3.568 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000431399573 978273832 /nfs/dbraw/zinc/27/38/32/978273832.db2.gz AAFAFJQGOXYCNR-XMSQKQJNSA-N 1 1 406.530 3.777 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](Oc4ccncc4)C3)sc2C1 ZINC000431610378 978382735 /nfs/dbraw/zinc/38/27/35/978382735.db2.gz PXSRRPKXSLUTLK-DOTOQJQBSA-N 1 1 410.543 3.621 20 30 HHEDMO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(C#N)cc1F ZINC000432301754 978752483 /nfs/dbraw/zinc/75/24/83/978752483.db2.gz XDECCNCNQZMKFF-XIKOKIGWSA-N 1 1 402.267 3.916 20 30 HHEDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCCO1 ZINC000432566975 978891444 /nfs/dbraw/zinc/89/14/44/978891444.db2.gz FAEOABYAMQXQJB-LJQANCHMSA-N 1 1 407.514 3.776 20 30 HHEDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)C1 ZINC000432676791 978933054 /nfs/dbraw/zinc/93/30/54/978933054.db2.gz HRBRYLBCQQTLII-DEOSSOPVSA-N 1 1 404.514 3.891 20 30 HHEDMO CCOC(=O)c1c(C)oc2nc(C[NH2+][C@H](CCCC#N)c3ccccc3)nc(N)c21 ZINC000433018334 979043502 /nfs/dbraw/zinc/04/35/02/979043502.db2.gz GRWPADMHWYCISD-MRXNPFEDSA-N 1 1 407.474 3.815 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433057859 979054578 /nfs/dbraw/zinc/05/45/78/979054578.db2.gz IOUUIDFSCGIVEM-WMZOPIPTSA-N 1 1 411.571 3.751 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433057859 979054583 /nfs/dbraw/zinc/05/45/83/979054583.db2.gz IOUUIDFSCGIVEM-WMZOPIPTSA-N 1 1 411.571 3.751 20 30 HHEDMO N#CCCn1cc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000433324532 979237667 /nfs/dbraw/zinc/23/76/67/979237667.db2.gz BCGJUBWBRCSLCW-QFIPXVFZSA-N 1 1 414.557 3.513 20 30 HHEDMO N#CCCn1cc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000433324532 979237676 /nfs/dbraw/zinc/23/76/76/979237676.db2.gz BCGJUBWBRCSLCW-QFIPXVFZSA-N 1 1 414.557 3.513 20 30 HHEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433366820 979257973 /nfs/dbraw/zinc/25/79/73/979257973.db2.gz OVDLVKQIXGJNNZ-PKTZIBPZSA-N 1 1 405.542 3.978 20 30 HHEDMO C[N@@H+](Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C1CCCCC1 ZINC000433528341 979359903 /nfs/dbraw/zinc/35/99/03/979359903.db2.gz MMPXGJJJCULOBA-UHFFFAOYSA-N 1 1 422.504 3.717 20 30 HHEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C#N ZINC000434314620 980076046 /nfs/dbraw/zinc/07/60/46/980076046.db2.gz 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ZINC000460265564 982042425 /nfs/dbraw/zinc/04/24/25/982042425.db2.gz LJJNDKLKHOHJMW-NRFANRHFSA-N 1 1 417.431 3.508 20 30 HHEDMO COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437400551 982044237 /nfs/dbraw/zinc/04/42/37/982044237.db2.gz MTBPPKWSUKQPSU-UHFFFAOYSA-N 1 1 400.425 3.866 20 30 HHEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460272617 982048838 /nfs/dbraw/zinc/04/88/38/982048838.db2.gz ZQGMDVCAZHCCSY-RBUKOAKNSA-N 1 1 400.530 3.936 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(OC(F)F)c1 ZINC000437418862 982060142 /nfs/dbraw/zinc/06/01/42/982060142.db2.gz MCNZGOZXQRYGGA-UHFFFAOYSA-N 1 1 401.413 3.716 20 30 HHEDMO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460287378 982063296 /nfs/dbraw/zinc/06/32/96/982063296.db2.gz GFQSDLYFUBNLKI-JOCHJYFZSA-N 1 1 400.530 3.937 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460383141 982161606 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421.541 3.887 20 30 HHEDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000437717145 982314845 /nfs/dbraw/zinc/31/48/45/982314845.db2.gz AKHAOJGYRVOZHN-JXQFQVJHSA-N 1 1 418.541 3.729 20 30 HHEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460547040 982333739 /nfs/dbraw/zinc/33/37/39/982333739.db2.gz WKRQPRKLABFDKO-UGKGYDQZSA-N 1 1 419.577 3.917 20 30 HHEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460550635 982337109 /nfs/dbraw/zinc/33/71/09/982337109.db2.gz WXBVJTRBBUELTA-UHFFFAOYSA-N 1 1 413.529 3.500 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460555319 982341617 /nfs/dbraw/zinc/34/16/17/982341617.db2.gz SYXDMJACKFFISJ-RBUKOAKNSA-N 1 1 413.566 3.751 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460555317 982341805 /nfs/dbraw/zinc/34/18/05/982341805.db2.gz SYXDMJACKFFISJ-OALUTQOASA-N 1 1 413.566 3.751 20 30 HHEDMO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)c1 ZINC000437773598 982347467 /nfs/dbraw/zinc/34/74/67/982347467.db2.gz MHNWEWZFYVLGLR-FDDCHVKYSA-N 1 1 419.525 3.819 20 30 HHEDMO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000460567586 982352664 /nfs/dbraw/zinc/35/26/64/982352664.db2.gz OVGPJGFVQPHZIQ-FQEVSTJZSA-N 1 1 419.614 3.671 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437807083 982368739 /nfs/dbraw/zinc/36/87/39/982368739.db2.gz VWRUNOBHUOUIIW-SMOSDQRPSA-N 1 1 409.933 3.752 20 30 HHEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460584423 982369152 /nfs/dbraw/zinc/36/91/52/982369152.db2.gz NOFNTFNXCGWZPU-VXSCBNMQSA-N 1 1 407.562 3.520 20 30 HHEDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[N@H+]1C ZINC000437883709 982434770 /nfs/dbraw/zinc/43/47/70/982434770.db2.gz PAVGAUCPNLILPH-KKSFZXQISA-N 1 1 405.502 3.757 20 30 HHEDMO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460800381 982552428 /nfs/dbraw/zinc/55/24/28/982552428.db2.gz DJWQJRSJMGQJAW-WIOPSUGQSA-N 1 1 421.589 3.851 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000438059284 982560562 /nfs/dbraw/zinc/56/05/62/982560562.db2.gz TVQQTJNGKUFOGR-KRWDZBQOSA-N 1 1 403.596 3.571 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000438059284 982560565 /nfs/dbraw/zinc/56/05/65/982560565.db2.gz TVQQTJNGKUFOGR-KRWDZBQOSA-N 1 1 403.596 3.571 20 30 HHEDMO O=C(NC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 ZINC000438089518 982582074 /nfs/dbraw/zinc/58/20/74/982582074.db2.gz QNXNAXNVPWEXBR-UHFFFAOYSA-N 1 1 402.416 3.831 20 30 HHEDMO C=C(C)Cn1c(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nnc1C(C)(C)c1ccccc1 ZINC000460937743 982676010 /nfs/dbraw/zinc/67/60/10/982676010.db2.gz IHWZLONFQKPMLH-FQEVSTJZSA-N 1 1 423.605 3.870 20 30 HHEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460943160 982680556 /nfs/dbraw/zinc/68/05/56/982680556.db2.gz IVYAUGAVRUKTTR-UHFFFAOYSA-N 1 1 403.534 3.833 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000460944812 982680998 /nfs/dbraw/zinc/68/09/98/982680998.db2.gz SWAOYJDGUKBFQL-INIZCTEOSA-N 1 1 401.580 3.581 20 30 HHEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460950115 982684360 /nfs/dbraw/zinc/68/43/60/982684360.db2.gz DRPVCSKNERATBN-NHCUHLMSSA-N 1 1 416.573 3.939 20 30 HHEDMO COc1cc(OC)cc(OCCC[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000438541683 982880184 /nfs/dbraw/zinc/88/01/84/982880184.db2.gz QWLXNSURDGZZEX-UHFFFAOYSA-N 1 1 417.893 3.568 20 30 HHEDMO COc1cc(OC)cc(OCCC[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000438541683 982880195 /nfs/dbraw/zinc/88/01/95/982880195.db2.gz QWLXNSURDGZZEX-UHFFFAOYSA-N 1 1 417.893 3.568 20 30 HHEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000438645394 982963709 /nfs/dbraw/zinc/96/37/09/982963709.db2.gz KBAJPFAZTPOGTE-JKIFEVAISA-N 1 1 410.440 3.683 20 30 HHEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000438645394 982963713 /nfs/dbraw/zinc/96/37/13/982963713.db2.gz KBAJPFAZTPOGTE-JKIFEVAISA-N 1 1 410.440 3.683 20 30 HHEDMO CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000438661796 982979828 /nfs/dbraw/zinc/97/98/28/982979828.db2.gz AQRIZXGVRNWLII-VQIMIIECSA-N 1 1 424.932 3.834 20 30 HHEDMO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000438819917 983093207 /nfs/dbraw/zinc/09/32/07/983093207.db2.gz NMMSYNZWOSVRQB-IBGZPJMESA-N 1 1 418.513 3.995 20 30 HHEDMO C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000461435073 983098233 /nfs/dbraw/zinc/09/82/33/983098233.db2.gz GXZSBBYTZFPPLQ-YADHBBJMSA-N 1 1 406.526 3.854 20 30 HHEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)c2)CCO1 ZINC000438835257 983104333 /nfs/dbraw/zinc/10/43/33/983104333.db2.gz BXLYZBDJOPWWEO-WMZHIEFXSA-N 1 1 406.530 3.752 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)c2)CCO1 ZINC000438835257 983104340 /nfs/dbraw/zinc/10/43/40/983104340.db2.gz BXLYZBDJOPWWEO-WMZHIEFXSA-N 1 1 406.530 3.752 20 30 HHEDMO N#Cc1cc(F)cc(C2(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)CC2)c1 ZINC000461453961 983119792 /nfs/dbraw/zinc/11/97/92/983119792.db2.gz ZHSCQTZZTXZVIF-LEWJYISDSA-N 1 1 403.501 3.709 20 30 HHEDMO C[C@@H]1C[N@H+](CC2CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc43)CC2)C[C@H](C)O1 ZINC000439153649 983277365 /nfs/dbraw/zinc/27/73/65/983277365.db2.gz MJBAZBMZMDNJMI-OKILXGFUSA-N 1 1 418.463 3.849 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000439231425 983321033 /nfs/dbraw/zinc/32/10/33/983321033.db2.gz BDMBMZDWWOPENR-GOSISDBHSA-N 1 1 417.962 3.744 20 30 HHEDMO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc2)c1 ZINC000439340308 983372284 /nfs/dbraw/zinc/37/22/84/983372284.db2.gz LSNQPTLOYAAETL-LJQANCHMSA-N 1 1 406.486 3.537 20 30 HHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000439437636 983408512 /nfs/dbraw/zinc/40/85/12/983408512.db2.gz ZOTWOBRMITUPML-ROUUACIJSA-N 1 1 416.591 3.504 20 30 HHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000439454649 983417805 /nfs/dbraw/zinc/41/78/05/983417805.db2.gz OGHCUXMMCQXNAZ-QZTJIDSGSA-N 1 1 416.591 3.646 20 30 HHEDMO CCCc1c(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439678357 983497661 /nfs/dbraw/zinc/49/76/61/983497661.db2.gz OALQWHPPJLMGIM-MSOLQXFVSA-N 1 1 408.550 3.938 20 30 HHEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000439866943 983561458 /nfs/dbraw/zinc/56/14/58/983561458.db2.gz OYWOONZKNVNQAI-UHFFFAOYSA-N 1 1 418.541 3.904 20 30 HHEDMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000440064782 983630193 /nfs/dbraw/zinc/63/01/93/983630193.db2.gz SXGPEAOPLOQCKG-VQIMIIECSA-N 1 1 424.932 3.662 20 30 HHEDMO CCC[C@H]1CN(CCOc2cccc(C#N)c2)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000440571047 983799417 /nfs/dbraw/zinc/79/94/17/983799417.db2.gz KXVMAPAMKMNIGG-QHCPKHFHSA-N 1 1 418.541 3.674 20 30 HHEDMO CCC[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCN1CCOc1cccc(C#N)c1 ZINC000440571047 983799419 /nfs/dbraw/zinc/79/94/19/983799419.db2.gz KXVMAPAMKMNIGG-QHCPKHFHSA-N 1 1 418.541 3.674 20 30 HHEDMO CCC[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCN1CCOc1cccc(C#N)c1 ZINC000440571047 983799423 /nfs/dbraw/zinc/79/94/23/983799423.db2.gz KXVMAPAMKMNIGG-QHCPKHFHSA-N 1 1 418.541 3.674 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000440963990 984000660 /nfs/dbraw/zinc/00/06/60/984000660.db2.gz XBNQCOZVNSTGSS-MJGOQNOKSA-N 1 1 420.513 3.539 20 30 HHEDMO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000441069244 984054263 /nfs/dbraw/zinc/05/42/63/984054263.db2.gz NVEWJTWYOKBJQG-NLFFAJNJSA-N 1 1 400.526 3.721 20 30 HHEDMO COC(=O)c1ccc(OCC[N@H+]2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000441173217 984100804 /nfs/dbraw/zinc/10/08/04/984100804.db2.gz IFOIPQKPLHLTTC-UHFFFAOYSA-N 1 1 413.905 3.589 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441193231 984108500 /nfs/dbraw/zinc/10/85/00/984108500.db2.gz HJXSLTQIVZJQBI-PMACEKPBSA-N 1 1 406.530 3.653 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000441195409 984109856 /nfs/dbraw/zinc/10/98/56/984109856.db2.gz HPOTXIATBREZRF-AOMKIAJQSA-N 1 1 423.561 3.643 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000441195409 984109860 /nfs/dbraw/zinc/10/98/60/984109860.db2.gz HPOTXIATBREZRF-AOMKIAJQSA-N 1 1 423.561 3.643 20 30 HHEDMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000441242001 984133765 /nfs/dbraw/zinc/13/37/65/984133765.db2.gz ZMJPORGYSOECBZ-CYFREDJKSA-N 1 1 419.573 3.823 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441283697 984158138 /nfs/dbraw/zinc/15/81/38/984158138.db2.gz WMTODOGKTBQNRG-OALUTQOASA-N 1 1 424.520 3.792 20 30 HHEDMO COc1cccc(C(C)(C)CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000441617547 984358197 /nfs/dbraw/zinc/35/81/97/984358197.db2.gz DIQOFLRKPGECMV-UHFFFAOYSA-N 1 1 420.557 3.762 20 30 HHEDMO CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000461794516 984782906 /nfs/dbraw/zinc/78/29/06/984782906.db2.gz HGMQKXHGDYENJP-UHFFFAOYSA-N 1 1 421.932 3.770 20 30 HHEDMO CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000461794516 984782909 /nfs/dbraw/zinc/78/29/09/984782909.db2.gz HGMQKXHGDYENJP-UHFFFAOYSA-N 1 1 421.932 3.770 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C[C@@H]1C ZINC000461850001 984863118 /nfs/dbraw/zinc/86/31/18/984863118.db2.gz KCQMAXZHCYPWJJ-NYVOZVTQSA-N 1 1 422.577 3.695 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461924052 984934008 /nfs/dbraw/zinc/93/40/08/984934008.db2.gz ZLGRVDLDOKEWCU-IAGOWNOFSA-N 1 1 409.452 3.776 20 30 HHEDMO N#Cc1cccc(COc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)c1 ZINC000462035476 985011651 /nfs/dbraw/zinc/01/16/51/985011651.db2.gz WHODZZXITJQFKL-UHFFFAOYSA-N 1 1 402.454 3.973 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000462185985 985168134 /nfs/dbraw/zinc/16/81/34/985168134.db2.gz IXAVBWWFQUSGOJ-PGRDOPGGSA-N 1 1 415.493 3.981 20 30 HHEDMO Cc1nc(SCC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c(C)c1C ZINC000462191447 985173471 /nfs/dbraw/zinc/17/34/71/985173471.db2.gz SOCRBQDFMOXCRE-BTYIYWSLSA-N 1 1 408.571 3.607 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000462252688 985236362 /nfs/dbraw/zinc/23/63/62/985236362.db2.gz CJBRSTZKMOXECI-KSSFIOAISA-N 1 1 400.429 3.802 20 30 HHEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000443098216 985374620 /nfs/dbraw/zinc/37/46/20/985374620.db2.gz XAPWNAVHTBRCOG-UHFFFAOYSA-N 1 1 424.353 3.808 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H]1c1cccs1 ZINC000443238285 985456734 /nfs/dbraw/zinc/45/67/34/985456734.db2.gz URCVKAWMMHAKKN-SCLBCKFNSA-N 1 1 409.964 3.635 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1C#N ZINC000443343882 985508618 /nfs/dbraw/zinc/50/86/18/985508618.db2.gz KFPLQWOAYYTSIW-UQASEVPWSA-N 1 1 400.567 3.902 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1C#N ZINC000443343882 985508627 /nfs/dbraw/zinc/50/86/27/985508627.db2.gz KFPLQWOAYYTSIW-UQASEVPWSA-N 1 1 400.567 3.902 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1C ZINC000443374813 985535423 /nfs/dbraw/zinc/53/54/23/985535423.db2.gz QJKCYTHGUXMKBP-PXNSSMCTSA-N 1 1 420.513 3.620 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H]1C ZINC000443384906 985543075 /nfs/dbraw/zinc/54/30/75/985543075.db2.gz KZHFCHUSQPNBKJ-PXNSSMCTSA-N 1 1 420.513 3.620 20 30 HHEDMO N#Cc1cc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000462834770 985756191 /nfs/dbraw/zinc/75/61/91/985756191.db2.gz MHBAMZXOVFMKBZ-HNNXBMFYSA-N 1 1 423.423 4.369 20 30 HHEDMO N#Cc1cc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000462834770 985756198 /nfs/dbraw/zinc/75/61/98/985756198.db2.gz MHBAMZXOVFMKBZ-HNNXBMFYSA-N 1 1 423.423 4.369 20 30 HHEDMO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(F)c(C#N)c4)CC3)cc2NC1=O ZINC000468270211 985972053 /nfs/dbraw/zinc/97/20/53/985972053.db2.gz KRHNRQHHKHQUOE-CQSZACIVSA-N 1 1 407.445 3.512 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000463017158 985974125 /nfs/dbraw/zinc/97/41/25/985974125.db2.gz XGLUZIJLMOCAPJ-BJKOFHAPSA-N 1 1 418.541 3.696 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463017915 985974650 /nfs/dbraw/zinc/97/46/50/985974650.db2.gz YFUDWWKDUDBJPG-DVECYGJZSA-N 1 1 418.541 3.632 20 30 HHEDMO Cc1nc2ccccc2n1CCCCC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000463117262 986082717 /nfs/dbraw/zinc/08/27/17/986082717.db2.gz GLWCWIMBAJMCOT-KBMIEXCESA-N 1 1 413.525 3.861 20 30 HHEDMO Cc1nc2ccccc2n1CCCCC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000463117262 986082733 /nfs/dbraw/zinc/08/27/33/986082733.db2.gz GLWCWIMBAJMCOT-KBMIEXCESA-N 1 1 413.525 3.861 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C(C)C)[C@@H]2CCOC2)c1C#N ZINC000463224330 986194359 /nfs/dbraw/zinc/19/43/59/986194359.db2.gz WQRHDHPLKRKAHG-HXUWFJFHSA-N 1 1 412.509 3.602 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000463275210 986242203 /nfs/dbraw/zinc/24/22/03/986242203.db2.gz URPXEEWVFSIVIF-XMSQKQJNSA-N 1 1 408.502 3.813 20 30 HHEDMO N#C[C@@H]1N(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCC[C@@]12CCCCO2 ZINC000468637725 986353712 /nfs/dbraw/zinc/35/37/12/986353712.db2.gz KFOXQNKRXFJLHN-PTLVVNQVSA-N 1 1 410.562 3.947 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463440046 986418105 /nfs/dbraw/zinc/41/81/05/986418105.db2.gz DGYHRZJENPYUIE-GAJHUEQPSA-N 1 1 411.933 3.856 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463440046 986418111 /nfs/dbraw/zinc/41/81/11/986418111.db2.gz DGYHRZJENPYUIE-GAJHUEQPSA-N 1 1 411.933 3.856 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463444783 986424571 /nfs/dbraw/zinc/42/45/71/986424571.db2.gz SMZPQPGCCGOIPG-NLFFAJNJSA-N 1 1 423.532 3.778 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1C#N ZINC000463451766 986432578 /nfs/dbraw/zinc/43/25/78/986432578.db2.gz OJXRWQRJLTXABW-RUZDIDTESA-N 1 1 420.557 3.666 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1C#N ZINC000463451766 986432579 /nfs/dbraw/zinc/43/25/79/986432579.db2.gz OJXRWQRJLTXABW-RUZDIDTESA-N 1 1 420.557 3.666 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000463566436 986543096 /nfs/dbraw/zinc/54/30/96/986543096.db2.gz BYZICOIQUYKHRL-KDURUIRLSA-N 1 1 416.562 3.612 20 30 HHEDMO CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000468946393 986649964 /nfs/dbraw/zinc/64/99/64/986649964.db2.gz LLHRAUDBMAKDGN-NRFANRHFSA-N 1 1 400.482 3.950 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000463691391 986674297 /nfs/dbraw/zinc/67/42/97/986674297.db2.gz RBDRVVRQPNWYQO-UPVQGACJSA-N 1 1 422.525 3.976 20 30 HHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469008473 986714659 /nfs/dbraw/zinc/71/46/59/986714659.db2.gz PFPKJAKZXUHJMJ-OYRHEFFESA-N 1 1 421.589 3.576 20 30 HHEDMO C[C@]1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCC[N@H+]1Cc1ccccc1 ZINC000469180690 986905618 /nfs/dbraw/zinc/90/56/18/986905618.db2.gz QJWOBJNQHMMJOR-XMMPIXPASA-N 1 1 400.482 3.998 20 30 HHEDMO CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444782671 986939112 /nfs/dbraw/zinc/93/91/12/986939112.db2.gz KDTRNTJZECJZIN-UHFFFAOYSA-N 1 1 412.921 3.761 20 30 HHEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCCC1(C)C ZINC000444794114 986949317 /nfs/dbraw/zinc/94/93/17/986949317.db2.gz UPWREGVHFIDGNF-FQEVSTJZSA-N 1 1 415.603 3.881 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000444806736 986962619 /nfs/dbraw/zinc/96/26/19/986962619.db2.gz WZOUWWAEXWRFGO-IAGOWNOFSA-N 1 1 409.452 3.776 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000444806736 986962628 /nfs/dbraw/zinc/96/26/28/986962628.db2.gz WZOUWWAEXWRFGO-IAGOWNOFSA-N 1 1 409.452 3.776 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000444806736 986962636 /nfs/dbraw/zinc/96/26/36/986962636.db2.gz WZOUWWAEXWRFGO-IAGOWNOFSA-N 1 1 409.452 3.776 20 30 HHEDMO C[N@H+](CCOCC(F)(F)C(F)(F)F)Cc1cc2c(cc1OC(F)F)OCO2 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CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000481148925 993982388 /nfs/dbraw/zinc/98/23/88/993982388.db2.gz XBMAPHVLBWHLEK-UHFFFAOYSA-N 1 1 407.514 3.781 20 30 HHEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)nc1 ZINC000481149857 993984008 /nfs/dbraw/zinc/98/40/08/993984008.db2.gz ZGHHBFVLHQNEJM-KRWDZBQOSA-N 1 1 413.319 3.875 20 30 HHEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)nc1 ZINC000481149857 993984026 /nfs/dbraw/zinc/98/40/26/993984026.db2.gz ZGHHBFVLHQNEJM-KRWDZBQOSA-N 1 1 413.319 3.875 20 30 HHEDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182125 994012167 /nfs/dbraw/zinc/01/21/67/994012167.db2.gz OXIPMWNHVFFACA-PWLNBWHGSA-N 1 1 410.606 3.806 20 30 HHEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182125 994012175 /nfs/dbraw/zinc/01/21/75/994012175.db2.gz OXIPMWNHVFFACA-PWLNBWHGSA-N 1 1 410.606 3.806 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](CO)c2ccsc2)c1C#N ZINC000473174562 994041435 /nfs/dbraw/zinc/04/14/35/994041435.db2.gz XXCXJSBYXIWHOH-IBGZPJMESA-N 1 1 400.548 3.805 20 30 HHEDMO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000481317350 994136602 /nfs/dbraw/zinc/13/66/02/994136602.db2.gz BIAQPXUVCIIHKZ-UHFFFAOYSA-N 1 1 420.488 3.541 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)CC2)cc1 ZINC000481363346 994191602 /nfs/dbraw/zinc/19/16/02/994191602.db2.gz JVBTVEBEGUTNQT-IBGZPJMESA-N 1 1 408.468 3.897 20 30 HHEDMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481422198 994256371 /nfs/dbraw/zinc/25/63/71/994256371.db2.gz SJULFBXAHPYROZ-YPCNNMTOSA-N 1 1 411.525 3.558 20 30 HHEDMO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000473567537 994435796 /nfs/dbraw/zinc/43/57/96/994435796.db2.gz HICURJUNVSFSSS-UGKGYDQZSA-N 1 1 414.981 3.703 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481595799 994443024 /nfs/dbraw/zinc/44/30/24/994443024.db2.gz UMONQOCDJACNQC-HXUWFJFHSA-N 1 1 406.429 3.836 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481595794 994443119 /nfs/dbraw/zinc/44/31/19/994443119.db2.gz UMONQOCDJACNQC-FQEVSTJZSA-N 1 1 406.429 3.836 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)c1ccc(F)c(F)c1 ZINC000481621600 994482876 /nfs/dbraw/zinc/48/28/76/994482876.db2.gz KOQUSTZTHQFSOR-QFIPXVFZSA-N 1 1 401.457 3.577 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000473654840 994541345 /nfs/dbraw/zinc/54/13/45/994541345.db2.gz URBVXUIHDIZGSM-LJQANCHMSA-N 1 1 421.545 3.807 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481684440 994545022 /nfs/dbraw/zinc/54/50/22/994545022.db2.gz FAWUBDPWVCYPHV-UQBPGWFLSA-N 1 1 419.525 3.852 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481684440 994545031 /nfs/dbraw/zinc/54/50/31/994545031.db2.gz FAWUBDPWVCYPHV-UQBPGWFLSA-N 1 1 419.525 3.852 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481700474 994560955 /nfs/dbraw/zinc/56/09/55/994560955.db2.gz XIJZVLVVUFXCSO-UUOWRZLLSA-N 1 1 407.489 3.982 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481700474 994560964 /nfs/dbraw/zinc/56/09/64/994560964.db2.gz XIJZVLVVUFXCSO-UUOWRZLLSA-N 1 1 407.489 3.982 20 30 HHEDMO C[N@@H+](CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)Cc1ccc(F)cc1 ZINC000482001592 994903100 /nfs/dbraw/zinc/90/31/00/994903100.db2.gz URMMEYNMYOZZMT-UHFFFAOYSA-N 1 1 407.445 3.731 20 30 HHEDMO COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000482009504 994913938 /nfs/dbraw/zinc/91/39/38/994913938.db2.gz VOIWSAVLXPUPLF-CPJSRVTESA-N 1 1 410.477 3.603 20 30 HHEDMO COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000482009504 994913947 /nfs/dbraw/zinc/91/39/47/994913947.db2.gz VOIWSAVLXPUPLF-CPJSRVTESA-N 1 1 410.477 3.603 20 30 HHEDMO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)CC[N@H+]2C2CC2)c1 ZINC000482013312 994920916 /nfs/dbraw/zinc/92/09/16/994920916.db2.gz CKIDKGCVFNPORD-PKTZIBPZSA-N 1 1 401.510 3.958 20 30 HHEDMO C[C@@H](NCC1([NH+]2CCSCC2)CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000482185553 995156363 /nfs/dbraw/zinc/15/63/63/995156363.db2.gz LCCFKXHMKZPGSG-MRXNPFEDSA-N 1 1 421.010 3.880 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)nnc1-c1ccco1 ZINC000482197605 995175521 /nfs/dbraw/zinc/17/55/21/995175521.db2.gz ITCSKVLETIVBNA-KRWDZBQOSA-N 1 1 417.579 3.587 20 30 HHEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000474868288 995764161 /nfs/dbraw/zinc/76/41/61/995764161.db2.gz KBDDLTWBPKFFEW-JOCHJYFZSA-N 1 1 404.558 3.528 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)cc1 ZINC000474911396 995795660 /nfs/dbraw/zinc/79/56/60/995795660.db2.gz IXZGGMRCTGEORC-UHFFFAOYSA-N 1 1 404.445 3.700 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)cc1 ZINC000474911396 995795667 /nfs/dbraw/zinc/79/56/67/995795667.db2.gz IXZGGMRCTGEORC-UHFFFAOYSA-N 1 1 404.445 3.700 20 30 HHEDMO CC(C)(C#N)c1ccc(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000474962121 995829513 /nfs/dbraw/zinc/82/95/13/995829513.db2.gz BGLBIJXJPWOGRJ-UHFFFAOYSA-N 1 1 418.585 3.816 20 30 HHEDMO Cc1cccc(CC2(O)CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000482947395 995873514 /nfs/dbraw/zinc/87/35/14/995873514.db2.gz NFWRGOOXBYBNOH-FQEVSTJZSA-N 1 1 423.532 3.839 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCC[C@](C)(OC)CC2)cc1 ZINC000483035334 995933252 /nfs/dbraw/zinc/93/32/52/995933252.db2.gz JGLIVOXGOOMHFN-DEOSSOPVSA-N 1 1 424.545 3.804 20 30 HHEDMO N#CC[C@H](CC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000475446648 996145772 /nfs/dbraw/zinc/14/57/72/996145772.db2.gz RVCPZXVWKCUYOD-OAQYLSRUSA-N 1 1 416.525 4.000 20 30 HHEDMO CN(C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000483477488 996205679 /nfs/dbraw/zinc/20/56/79/996205679.db2.gz REDJIPHRVMCNOF-PKTZIBPZSA-N 1 1 408.590 3.658 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483478368 996206524 /nfs/dbraw/zinc/20/65/24/996206524.db2.gz SZHDQIWDVPYAKW-ZFJSRUIDSA-N 1 1 402.542 3.872 20 30 HHEDMO C[N@H+]1CCC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488293 996213141 /nfs/dbraw/zinc/21/31/41/996213141.db2.gz JBFCBNINKDDCFX-LPHOPBHVSA-N 1 1 400.592 3.633 20 30 HHEDMO N#CCCN(C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483494252 996216607 /nfs/dbraw/zinc/21/66/07/996216607.db2.gz WCMZBLNNZFKCLO-NOZRDPDXSA-N 1 1 416.569 3.920 20 30 HHEDMO N#CCCN(C(=O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000475743204 996342436 /nfs/dbraw/zinc/34/24/36/996342436.db2.gz XIRDZFFRMFPUSH-AREMUKBSSA-N 1 1 416.569 3.921 20 30 HHEDMO N#Cc1ccsc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475743151 996342477 /nfs/dbraw/zinc/34/24/77/996342477.db2.gz DXFZBVDTTBTDGO-HSZRJFAPSA-N 1 1 408.571 3.936 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000483797616 996394747 /nfs/dbraw/zinc/39/47/47/996394747.db2.gz HTJCDSBBDPRNES-OAQYLSRUSA-N 1 1 414.513 3.520 20 30 HHEDMO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000484146967 996598774 /nfs/dbraw/zinc/59/87/74/996598774.db2.gz ZTWPNMIIBANCIV-UHFFFAOYSA-N 1 1 412.559 3.849 20 30 HHEDMO CC(C)(C#N)c1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000476380657 996821979 /nfs/dbraw/zinc/82/19/79/996821979.db2.gz QTHKZMBUPWZOFD-UHFFFAOYSA-N 1 1 410.949 3.693 20 30 HHEDMO C=CC[N@H+](CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)CC1CCCCC1 ZINC000484665673 997003827 /nfs/dbraw/zinc/00/38/27/997003827.db2.gz VVVKXYRDABFQBP-HXUWFJFHSA-N 1 1 403.611 3.552 20 30 HHEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000484994120 997355931 /nfs/dbraw/zinc/35/59/31/997355931.db2.gz PPECXSWEVQVQEF-AWEZNQCLSA-N 1 1 413.543 3.975 20 30 HHEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000484994120 997355939 /nfs/dbraw/zinc/35/59/39/997355939.db2.gz PPECXSWEVQVQEF-AWEZNQCLSA-N 1 1 413.543 3.975 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1C#N ZINC000477055568 997698908 /nfs/dbraw/zinc/69/89/08/997698908.db2.gz GUHLNWJMPWZDGF-DEOSSOPVSA-N 1 1 406.530 3.797 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@]3(CCCOC3)C2)c1C#N ZINC000477055568 997698919 /nfs/dbraw/zinc/69/89/19/997698919.db2.gz GUHLNWJMPWZDGF-DEOSSOPVSA-N 1 1 406.530 3.797 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000485314058 997723581 /nfs/dbraw/zinc/72/35/81/997723581.db2.gz CMKFRUQMFCDUSY-GJYPPUQNSA-N 1 1 400.592 3.632 20 30 HHEDMO Cc1oc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485330549 997744883 /nfs/dbraw/zinc/74/48/83/997744883.db2.gz LYFSHYHRGKSAKF-IFMALSPDSA-N 1 1 406.530 3.693 20 30 HHEDMO 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N#Cc1cccc(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000485351938 997773892 /nfs/dbraw/zinc/77/38/92/997773892.db2.gz SKLLOKFPUHKQSX-UPVQGACJSA-N 1 1 402.542 3.873 20 30 HHEDMO N#Cc1cccc(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000485351938 997773901 /nfs/dbraw/zinc/77/39/01/997773901.db2.gz SKLLOKFPUHKQSX-UPVQGACJSA-N 1 1 402.542 3.873 20 30 HHEDMO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000485944550 998388092 /nfs/dbraw/zinc/38/80/92/998388092.db2.gz MFJCFBKBQPLZGI-GOSISDBHSA-N 1 1 424.570 3.992 20 30 HHEDMO N#Cc1ccc(-n2ccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)c(F)c1 ZINC000486127207 998575194 /nfs/dbraw/zinc/57/51/94/998575194.db2.gz KMAWPWNNDHBJFR-UHFFFAOYSA-N 1 1 423.358 3.654 20 30 HHEDMO C[N@H+]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](c2ccccc2)C1 ZINC000478369220 998921091 /nfs/dbraw/zinc/92/10/91/998921091.db2.gz JEYNXKPKDAUWOB-DQEYMECFSA-N 1 1 411.505 3.965 20 30 HHEDMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(C#N)s2)c1 ZINC000486790698 998940917 /nfs/dbraw/zinc/94/09/17/998940917.db2.gz YSNQKVCIDQDHGV-ZDUSSCGKSA-N 1 1 400.479 3.824 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(C#N)s2)c1 ZINC000486790698 998940922 /nfs/dbraw/zinc/94/09/22/998940922.db2.gz YSNQKVCIDQDHGV-ZDUSSCGKSA-N 1 1 400.479 3.824 20 30 HHEDMO COc1cc(Cl)c(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000486885611 998991547 /nfs/dbraw/zinc/99/15/47/998991547.db2.gz WBSIEYMDKPQYFH-GOSISDBHSA-N 1 1 404.297 3.764 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000478563609 999026562 /nfs/dbraw/zinc/02/65/62/999026562.db2.gz QZXMOBXGMUCWBH-URXFXBBRSA-N 1 1 402.542 3.751 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1C#N ZINC000487035573 999043794 /nfs/dbraw/zinc/04/37/94/999043794.db2.gz BQKUCUWEXHHGRB-GOSISDBHSA-N 1 1 420.582 3.847 20 30 HHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000478625419 999052047 /nfs/dbraw/zinc/05/20/47/999052047.db2.gz KIKWHCZCNMRLKG-MRXNPFEDSA-N 1 1 401.561 3.905 20 30 HHEDMO C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000478779090 999136577 /nfs/dbraw/zinc/13/65/77/999136577.db2.gz PDXIYEQXMOXXRX-IBGZPJMESA-N 1 1 421.541 3.738 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487353851 999144410 /nfs/dbraw/zinc/14/44/10/999144410.db2.gz KRQSXDGZVIZGRS-UGKGYDQZSA-N 1 1 421.541 3.753 20 30 HHEDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000478865374 999183086 /nfs/dbraw/zinc/18/30/86/999183086.db2.gz BVCSHDXFJWXONF-KDURUIRLSA-N 1 1 407.514 3.970 20 30 HHEDMO N#Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Br ZINC000487932019 999320145 /nfs/dbraw/zinc/32/01/45/999320145.db2.gz GFOGDKXYBYTNAF-KSSFIOAISA-N 1 1 403.324 3.801 20 30 HHEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000487970228 999331314 /nfs/dbraw/zinc/33/13/14/999331314.db2.gz RQJPFADOMKTOBT-KSSFIOAISA-N 1 1 423.355 3.579 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000487970226 999331366 /nfs/dbraw/zinc/33/13/66/999331366.db2.gz RQJPFADOMKTOBT-KBXCAEBGSA-N 1 1 423.355 3.579 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCSC[C@H](C)C2)c1C#N ZINC000488165479 999399230 /nfs/dbraw/zinc/39/92/30/999399230.db2.gz SLBZXHSFLUDJKD-CQSZACIVSA-N 1 1 400.523 3.728 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCSC[C@H](C)C2)c1C#N ZINC000488165479 999399234 /nfs/dbraw/zinc/39/92/34/999399234.db2.gz SLBZXHSFLUDJKD-CQSZACIVSA-N 1 1 400.523 3.728 20 30 HHEDMO COCC[N@@H+](C)CC[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC000488836144 999622996 /nfs/dbraw/zinc/62/29/96/999622996.db2.gz ATHUUDSGHWVKKH-SGNDLWITSA-N 1 1 420.557 3.645 20 30 HHEDMO CCN1CC[NH+](Cc2ccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)CC1 ZINC000479992497 999677786 /nfs/dbraw/zinc/67/77/86/999677786.db2.gz VJKYNEVXCMOFNE-UHFFFAOYSA-N 1 1 414.557 3.708 20 30 HHEDMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489113897 999703222 /nfs/dbraw/zinc/70/32/22/999703222.db2.gz IDJDKJVNMFLTKR-VQIMIIECSA-N 1 1 401.507 3.543 20 30 HHEDMO CC(C)[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)N1CC[NH+](C)CC1 ZINC000480121204 999722660 /nfs/dbraw/zinc/72/26/60/999722660.db2.gz PPPCXOLGZRGBQI-JOCHJYFZSA-N 1 1 422.598 3.711 20 30 HHEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000489296126 999739680 /nfs/dbraw/zinc/73/96/80/999739680.db2.gz TULBPOLHNZQNHB-QGZVFWFLSA-N 1 1 409.534 3.729 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@@H]1CCO[C@H]1C ZINC000489398085 999758794 /nfs/dbraw/zinc/75/87/94/999758794.db2.gz HOHTVLHCIFGPKI-GHTZIAJQSA-N 1 1 416.566 3.546 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@@H]1CCO[C@H]1C ZINC000489398085 999758796 /nfs/dbraw/zinc/75/87/96/999758796.db2.gz HOHTVLHCIFGPKI-GHTZIAJQSA-N 1 1 416.566 3.546 20 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/nfs/dbraw/zinc/04/48/21/1000044821.db2.gz TUQANTVUDSMCJE-UHFFFAOYSA-N 1 1 416.319 3.747 20 30 HHEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1Cl ZINC000492604428 1000134863 /nfs/dbraw/zinc/13/48/63/1000134863.db2.gz WRXJFCFFYPEUBN-UHFFFAOYSA-N 1 1 411.815 3.703 20 30 HHEDMO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000504743859 1000350961 /nfs/dbraw/zinc/35/09/61/1000350961.db2.gz YLLXVYAZLCMGSE-QFIPXVFZSA-N 1 1 403.526 3.840 20 30 HHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2C1 ZINC000504798826 1000374800 /nfs/dbraw/zinc/37/48/00/1000374800.db2.gz YORYXBZZLOCUTH-UHFFFAOYSA-N 1 1 414.509 3.538 20 30 HHEDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2C1 ZINC000504798826 1000374807 /nfs/dbraw/zinc/37/48/07/1000374807.db2.gz YORYXBZZLOCUTH-UHFFFAOYSA-N 1 1 414.509 3.538 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1 ZINC000505086741 1000544274 /nfs/dbraw/zinc/54/42/74/1000544274.db2.gz IUILFDINTMSKQO-UHFFFAOYSA-N 1 1 401.308 3.701 20 30 HHEDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494884665 1000711527 /nfs/dbraw/zinc/71/15/27/1000711527.db2.gz BOTBAWYGPJHXCC-ROUUACIJSA-N 1 1 400.567 3.724 20 30 HHEDMO CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494996192 1000769111 /nfs/dbraw/zinc/76/91/11/1000769111.db2.gz KZXAPTXYDGTLKV-WIYYLYMNSA-N 1 1 412.578 3.867 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1C#N ZINC000495022760 1000784365 /nfs/dbraw/zinc/78/43/65/1000784365.db2.gz YIDIWMVWQOSVNG-SFHVURJKSA-N 1 1 420.517 3.549 20 30 HHEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1)CCCC2 ZINC000495027478 1000787188 /nfs/dbraw/zinc/78/71/88/1000787188.db2.gz KUEVOHKWCOLGFR-WIYYLYMNSA-N 1 1 410.562 3.621 20 30 HHEDMO C[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000495115937 1000851953 /nfs/dbraw/zinc/85/19/53/1000851953.db2.gz LAYDPSDSTLGSQB-CABCVRRESA-N 1 1 402.420 3.707 20 30 HHEDMO C[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000495115937 1000851964 /nfs/dbraw/zinc/85/19/64/1000851964.db2.gz LAYDPSDSTLGSQB-CABCVRRESA-N 1 1 402.420 3.707 20 30 HHEDMO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000505622931 1000939285 /nfs/dbraw/zinc/93/92/85/1000939285.db2.gz QOYWDGDTYYAORT-DENIHFKCSA-N 1 1 405.542 3.913 20 30 HHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000505660898 1000961319 /nfs/dbraw/zinc/96/13/19/1000961319.db2.gz MWGHFFJNNVYFPA-QHCPKHFHSA-N 1 1 418.541 3.716 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000505799235 1001032719 /nfs/dbraw/zinc/03/27/19/1001032719.db2.gz NWMUAXQXXMQGLR-UUOWRZLLSA-N 1 1 413.562 3.796 20 30 HHEDMO N#C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000505934471 1001111426 /nfs/dbraw/zinc/11/14/26/1001111426.db2.gz ZXXJKDFSMZPSEZ-AZUAARDMSA-N 1 1 405.395 3.961 20 30 HHEDMO 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ZINC000054808503 965654672 /nfs/dbraw/zinc/65/46/72/965654672.db2.gz XEEXYKRJKCWLHW-UHFFFAOYSA-N 1 1 416.569 3.892 20 30 HHEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1 ZINC000054808503 965654675 /nfs/dbraw/zinc/65/46/75/965654675.db2.gz XEEXYKRJKCWLHW-UHFFFAOYSA-N 1 1 416.569 3.892 20 30 HHEDMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C(C)C)cc1 ZINC000058580260 965793481 /nfs/dbraw/zinc/79/34/81/965793481.db2.gz YPZPQUIFGVNVHI-VWLOTQADSA-N 1 1 420.557 3.592 20 30 HHEDMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)C(C)C)cc1 ZINC000058580260 965793487 /nfs/dbraw/zinc/79/34/87/965793487.db2.gz YPZPQUIFGVNVHI-VWLOTQADSA-N 1 1 420.557 3.592 20 30 HHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)C1 ZINC000553784906 1013613044 /nfs/dbraw/zinc/61/30/44/1013613044.db2.gz RSJOPAOEVZTRNV-XLNZFTOWSA-N 1 1 403.526 3.940 20 30 HHEDMO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000060330064 966091794 /nfs/dbraw/zinc/09/17/94/966091794.db2.gz XHUVQIFEECONED-MRXNPFEDSA-N 1 1 422.554 3.958 20 30 HHEDMO CCc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1 ZINC000032466712 966263832 /nfs/dbraw/zinc/26/38/32/966263832.db2.gz JESFOBNUCUHZSH-UHFFFAOYSA-N 1 1 413.525 3.654 20 30 HHEDMO CCc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1 ZINC000032466712 966263837 /nfs/dbraw/zinc/26/38/37/966263837.db2.gz JESFOBNUCUHZSH-UHFFFAOYSA-N 1 1 413.525 3.654 20 30 HHEDMO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000032833446 966334398 /nfs/dbraw/zinc/33/43/98/966334398.db2.gz CERYAPWMBYJLRX-WZONZLPQSA-N 1 1 416.525 3.501 20 30 HHEDMO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000032833446 966334411 /nfs/dbraw/zinc/33/44/11/966334411.db2.gz CERYAPWMBYJLRX-WZONZLPQSA-N 1 1 416.525 3.501 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000062047713 966606782 /nfs/dbraw/zinc/60/67/82/966606782.db2.gz LTTVXABIWUCCAO-MRXNPFEDSA-N 1 1 424.932 3.698 20 30 HHEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643695 966819497 /nfs/dbraw/zinc/81/94/97/966819497.db2.gz SYAAFSIRXFJCHV-NHCUHLMSSA-N 1 1 404.558 3.640 20 30 HHEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042643695 966819502 /nfs/dbraw/zinc/81/95/02/966819502.db2.gz SYAAFSIRXFJCHV-NHCUHLMSSA-N 1 1 404.558 3.640 20 30 HHEDMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042643695 966819508 /nfs/dbraw/zinc/81/95/08/966819508.db2.gz SYAAFSIRXFJCHV-NHCUHLMSSA-N 1 1 404.558 3.640 20 30 HHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000043863968 967058420 /nfs/dbraw/zinc/05/84/20/967058420.db2.gz RWXQRHDLMIMHCZ-UHFFFAOYSA-N 1 1 406.530 3.512 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(CCN4CCOCC4)cc3)CC2)cc1 ZINC000542831177 1013696638 /nfs/dbraw/zinc/69/66/38/1013696638.db2.gz NSCTVOUWMIJJOP-UHFFFAOYSA-N 1 1 404.558 3.509 20 30 HHEDMO Cc1nc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)sc1SCC#N ZINC000044789980 967290096 /nfs/dbraw/zinc/29/00/96/967290096.db2.gz XTUTVXYVTBIJQB-ZIAGYGMSSA-N 1 1 416.572 3.929 20 30 HHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553941613 1013712540 /nfs/dbraw/zinc/71/25/40/1013712540.db2.gz TZJQFFRLQBXTRR-IBGZPJMESA-N 1 1 402.970 3.809 20 30 HHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000538169893 1013730151 /nfs/dbraw/zinc/73/01/51/1013730151.db2.gz IEERLFXOWMUYRB-CQSZACIVSA-N 1 1 408.395 3.672 20 30 HHEDMO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529768 967842312 /nfs/dbraw/zinc/84/23/12/967842312.db2.gz QNWFIUDWQOENMO-OAHLLOKOSA-N 1 1 400.320 3.800 20 30 HHEDMO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529768 967842327 /nfs/dbraw/zinc/84/23/27/967842327.db2.gz QNWFIUDWQOENMO-OAHLLOKOSA-N 1 1 400.320 3.800 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c1C#N ZINC000047405590 968178344 /nfs/dbraw/zinc/17/83/44/968178344.db2.gz OTNNYILWMPPLHO-QGZVFWFLSA-N 1 1 410.493 3.544 20 30 HHEDMO CCOc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000047581841 968246112 /nfs/dbraw/zinc/24/61/12/968246112.db2.gz TXVISTRENHNKGQ-UHFFFAOYSA-N 1 1 408.502 3.705 20 30 HHEDMO CCC[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(C#N)cc1 ZINC000047741252 968293689 /nfs/dbraw/zinc/29/36/89/968293689.db2.gz ZXEMEIQOFKOAFB-UHFFFAOYSA-N 1 1 408.521 3.648 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000047783208 968311439 /nfs/dbraw/zinc/31/14/39/968311439.db2.gz QRRFMYZLPIESNT-AWEZNQCLSA-N 1 1 416.576 3.698 20 30 HHEDMO CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000048258348 968505361 /nfs/dbraw/zinc/50/53/61/968505361.db2.gz JUAHMWGNJFZKBB-UHFFFAOYSA-N 1 1 419.529 3.955 20 30 HHEDMO N#CCNC(=O)C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC000538261703 1013802947 /nfs/dbraw/zinc/80/29/47/1013802947.db2.gz WHDVRRLHHGWSTB-KRWDZBQOSA-N 1 1 424.701 3.755 20 30 HHEDMO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000078440910 968998021 /nfs/dbraw/zinc/99/80/21/968998021.db2.gz XNNXCTWAJJEOTR-MSOLQXFVSA-N 1 1 407.514 3.676 20 30 HHEDMO C=CCc1cc(C(=O)Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc(OC)c1OC ZINC000107592509 969318408 /nfs/dbraw/zinc/31/84/08/969318408.db2.gz KLFFRRASVCISBI-UHFFFAOYSA-N 1 1 423.557 3.822 20 30 HHEDMO C=CCc1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c(OC)c1 ZINC000108990298 969445150 /nfs/dbraw/zinc/44/51/50/969445150.db2.gz BMRGREKUAYDKKE-UHFFFAOYSA-N 1 1 409.461 3.752 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110003320 969608253 /nfs/dbraw/zinc/60/82/53/969608253.db2.gz IDKGHTHBGSMGHG-QAPCUYQASA-N 1 1 419.460 3.954 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110003320 969608257 /nfs/dbraw/zinc/60/82/57/969608257.db2.gz IDKGHTHBGSMGHG-QAPCUYQASA-N 1 1 419.460 3.954 20 30 HHEDMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H]4CCN(c5ccc(C#N)cc5)C4=O)CC3)c2c1 ZINC000110982411 969753574 /nfs/dbraw/zinc/75/35/74/969753574.db2.gz QHXDSUVWKUMADD-XMMPIXPASA-N 1 1 412.493 3.943 20 30 HHEDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H]4CCN(c5ccc(C#N)cc5)C4=O)CC3)c2c1 ZINC000110982411 969753575 /nfs/dbraw/zinc/75/35/75/969753575.db2.gz QHXDSUVWKUMADD-XMMPIXPASA-N 1 1 412.493 3.943 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)C[C@@H](C)C#N ZINC000110984521 969754185 /nfs/dbraw/zinc/75/41/85/969754185.db2.gz YXSLISARIIUDJJ-KRWDZBQOSA-N 1 1 408.502 3.758 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111040534 969765185 /nfs/dbraw/zinc/76/51/85/969765185.db2.gz RYARRNGSQUJUEM-MRXNPFEDSA-N 1 1 405.477 3.979 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000111200806 969801118 /nfs/dbraw/zinc/80/11/18/969801118.db2.gz JFTMYZLFCIRYRN-BGYRXZFFSA-N 1 1 412.578 3.586 20 30 HHEDMO N#Cc1ccc(Oc2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2)cc1 ZINC000112681267 969824321 /nfs/dbraw/zinc/82/43/21/969824321.db2.gz FSIINMXNUFWQDT-HXUWFJFHSA-N 1 1 408.502 3.709 20 30 HHEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000112681539 969824475 /nfs/dbraw/zinc/82/44/75/969824475.db2.gz NUANDCQRURTUSS-UHFFFAOYSA-N 1 1 421.545 3.840 20 30 HHEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000112681539 969824479 /nfs/dbraw/zinc/82/44/79/969824479.db2.gz NUANDCQRURTUSS-UHFFFAOYSA-N 1 1 421.545 3.840 20 30 HHEDMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1F ZINC000116401550 969891333 /nfs/dbraw/zinc/89/13/33/969891333.db2.gz SWHVLHRHZURTMO-INIZCTEOSA-N 1 1 408.477 3.684 20 30 HHEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccc(C#N)cc2)c1 ZINC000116453041 969896111 /nfs/dbraw/zinc/89/61/11/969896111.db2.gz GHUOMMRXTFGPJG-MRXNPFEDSA-N 1 1 408.477 3.691 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccc(C#N)cc2)c1 ZINC000116453041 969896117 /nfs/dbraw/zinc/89/61/17/969896117.db2.gz GHUOMMRXTFGPJG-MRXNPFEDSA-N 1 1 408.477 3.691 20 30 HHEDMO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000195736689 969991973 /nfs/dbraw/zinc/99/19/73/969991973.db2.gz VJLNPGZBXVDLIS-UHFFFAOYSA-N 1 1 420.557 3.954 20 30 HHEDMO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000195736689 969991978 /nfs/dbraw/zinc/99/19/78/969991978.db2.gz VJLNPGZBXVDLIS-UHFFFAOYSA-N 1 1 420.557 3.954 20 30 HHEDMO COc1ccc(CNCC2([NH+]3CCCCC3)CCOCC2)cc1OCCCC#N ZINC000237362264 970269555 /nfs/dbraw/zinc/26/95/55/970269555.db2.gz YBTAKOIJEYDKCQ-UHFFFAOYSA-N 1 1 401.551 3.502 20 30 HHEDMO C#CCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237468753 970293691 /nfs/dbraw/zinc/29/36/91/970293691.db2.gz FNWSMDXLRRQRNF-DEOSSOPVSA-N 1 1 405.519 3.981 20 30 HHEDMO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000237748914 970353269 /nfs/dbraw/zinc/35/32/69/970353269.db2.gz VVWUVGJQEKPJDE-UHFFFAOYSA-N 1 1 405.342 3.830 20 30 HHEDMO C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554609266 1013988230 /nfs/dbraw/zinc/98/82/30/1013988230.db2.gz WVEMDPKGXWUVAK-UHFFFAOYSA-N 1 1 424.593 3.890 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@@H+](Cc3ccccc3)CC1)CCC2 ZINC000164372215 970447028 /nfs/dbraw/zinc/44/70/28/970447028.db2.gz FKHWISOLXKVXAR-UHFFFAOYSA-N 1 1 408.571 3.645 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCN(Cc3ccccc3)CC1)CCC2 ZINC000164372215 970447033 /nfs/dbraw/zinc/44/70/33/970447033.db2.gz FKHWISOLXKVXAR-UHFFFAOYSA-N 1 1 408.571 3.645 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCN(Cc3ccccc3)CC1)CCC2 ZINC000164372215 970447040 /nfs/dbraw/zinc/44/70/40/970447040.db2.gz FKHWISOLXKVXAR-UHFFFAOYSA-N 1 1 408.571 3.645 20 30 HHEDMO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000165096329 970454373 /nfs/dbraw/zinc/45/43/73/970454373.db2.gz RRELEGVIRIJKDI-HXUWFJFHSA-N 1 1 404.495 3.918 20 30 HHEDMO Cc1nc(SCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C#N)c(C)c1C ZINC000253480342 970563108 /nfs/dbraw/zinc/56/31/08/970563108.db2.gz WEHXCDHGDCRNPA-IBGZPJMESA-N 1 1 412.559 3.907 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255958983 970612496 /nfs/dbraw/zinc/61/24/96/970612496.db2.gz JPPRQLSPKDZEHF-QUCCMNQESA-N 1 1 404.297 3.784 20 30 HHEDMO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000261409719 970658180 /nfs/dbraw/zinc/65/81/80/970658180.db2.gz CJUDXQCDDFKDDP-HKUYNNGSSA-N 1 1 421.888 3.668 20 30 HHEDMO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000261409719 970658186 /nfs/dbraw/zinc/65/81/86/970658186.db2.gz CJUDXQCDDFKDDP-HKUYNNGSSA-N 1 1 421.888 3.668 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)CCc2ccccc2)sc2c1CCCCC2 ZINC000261482916 970716274 /nfs/dbraw/zinc/71/62/74/970716274.db2.gz XGTGNQHTHWRXGO-UHFFFAOYSA-N 1 1 411.571 3.754 20 30 HHEDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000554745500 1014036899 /nfs/dbraw/zinc/03/68/99/1014036899.db2.gz KKZLQKCWGBMELP-HNNXBMFYSA-N 1 1 407.430 3.726 20 30 HHEDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000554745500 1014036902 /nfs/dbraw/zinc/03/69/02/1014036902.db2.gz KKZLQKCWGBMELP-HNNXBMFYSA-N 1 1 407.430 3.726 20 30 HHEDMO COc1ccc(CCNC(=[NH2+])NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000305706729 972613521 /nfs/dbraw/zinc/61/35/21/972613521.db2.gz WGDQBTIBUAOPKS-UTKZUKDTSA-N 1 1 418.944 3.628 20 30 HHEDMO CC[N@@H+]1CCc2nc(NC(=O)c3occc3COc3cccc(C#N)c3)sc2C1 ZINC000409745509 973221066 /nfs/dbraw/zinc/22/10/66/973221066.db2.gz HQUHDYLEZBRLDT-UHFFFAOYSA-N 1 1 408.483 3.817 20 30 HHEDMO CC[N@H+]1CCc2nc(NC(=O)c3occc3COc3cccc(C#N)c3)sc2C1 ZINC000409745509 973221072 /nfs/dbraw/zinc/22/10/72/973221072.db2.gz HQUHDYLEZBRLDT-UHFFFAOYSA-N 1 1 408.483 3.817 20 30 HHEDMO CN1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000410359349 973950268 /nfs/dbraw/zinc/95/02/68/973950268.db2.gz LLDOECLSBGLBKP-UHFFFAOYSA-N 1 1 405.546 3.557 20 30 HHEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000426158744 974272819 /nfs/dbraw/zinc/27/28/19/974272819.db2.gz DYXNAGRLNRLTNP-IYBDPMFKSA-N 1 1 404.942 3.955 20 30 HHEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674690 974594511 /nfs/dbraw/zinc/59/45/11/974594511.db2.gz LRKPADLNVGFPLX-ROUUACIJSA-N 1 1 420.513 3.526 20 30 HHEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000426791777 974662544 /nfs/dbraw/zinc/66/25/44/974662544.db2.gz GPFXPTFVFRWFRH-KRWDZBQOSA-N 1 1 408.527 3.544 20 30 HHEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000426791777 974662547 /nfs/dbraw/zinc/66/25/47/974662547.db2.gz GPFXPTFVFRWFRH-KRWDZBQOSA-N 1 1 408.527 3.544 20 30 HHEDMO C=CC[C@H](C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)c1ccccc1 ZINC000427118005 974918660 /nfs/dbraw/zinc/91/86/60/974918660.db2.gz RUPHKQWMDQTABC-FQEVSTJZSA-N 1 1 404.514 3.736 20 30 HHEDMO N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)c2)c1 ZINC000427902144 975340677 /nfs/dbraw/zinc/34/06/77/975340677.db2.gz MWDQLOAYCLIWEO-QHCPKHFHSA-N 1 1 405.498 3.719 20 30 HHEDMO N#Cc1cnc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 ZINC000427914200 975347019 /nfs/dbraw/zinc/34/70/19/975347019.db2.gz GXDJXCXBNJVIAJ-UHFFFAOYSA-N 1 1 422.838 3.974 20 30 HHEDMO N#Cc1cnc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 ZINC000427914200 975347027 /nfs/dbraw/zinc/34/70/27/975347027.db2.gz GXDJXCXBNJVIAJ-UHFFFAOYSA-N 1 1 422.838 3.974 20 30 HHEDMO C[N@@H+](CCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)Cc1ccccc1 ZINC000428303885 975613610 /nfs/dbraw/zinc/61/36/10/975613610.db2.gz VBBDDVRPLGMREF-UHFFFAOYSA-N 1 1 401.514 3.716 20 30 HHEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428681764 975974259 /nfs/dbraw/zinc/97/42/59/975974259.db2.gz HDTYFTSHHCQUBR-IBGZPJMESA-N 1 1 411.575 3.854 20 30 HHEDMO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)cc1OC ZINC000428776576 976049628 /nfs/dbraw/zinc/04/96/28/976049628.db2.gz ZZEROMXMTPRISA-GOSISDBHSA-N 1 1 422.510 3.747 20 30 HHEDMO COc1ccc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)cc1OC ZINC000428776576 976049642 /nfs/dbraw/zinc/04/96/42/976049642.db2.gz ZZEROMXMTPRISA-GOSISDBHSA-N 1 1 422.510 3.747 20 30 HHEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428817491 976097117 /nfs/dbraw/zinc/09/71/17/976097117.db2.gz ZPICNVKLVOBLLD-YZZKKUAISA-N 1 1 414.509 3.825 20 30 HHEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428817491 976097123 /nfs/dbraw/zinc/09/71/23/976097123.db2.gz ZPICNVKLVOBLLD-YZZKKUAISA-N 1 1 414.509 3.825 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1Cl ZINC000428992282 976272522 /nfs/dbraw/zinc/27/25/22/976272522.db2.gz JZUFIKLGFQIGGM-DJPFJPOOSA-N 1 1 402.970 3.557 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1C#N ZINC000429014322 976295478 /nfs/dbraw/zinc/29/54/78/976295478.db2.gz YDYBZDPDLDFMDZ-DRSNIGMVSA-N 1 1 411.594 3.692 20 30 HHEDMO CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000429046512 976332953 /nfs/dbraw/zinc/33/29/53/976332953.db2.gz NOWCJMUBEPBVGJ-HXUWFJFHSA-N 1 1 407.518 3.870 20 30 HHEDMO COc1ccc(Br)c(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000429294322 976573462 /nfs/dbraw/zinc/57/34/62/976573462.db2.gz QOWBSHMFMOHTDE-UHFFFAOYSA-N 1 1 402.292 3.790 20 30 HHEDMO COc1ccc(Br)c(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000429294322 976573479 /nfs/dbraw/zinc/57/34/79/976573479.db2.gz QOWBSHMFMOHTDE-UHFFFAOYSA-N 1 1 402.292 3.790 20 30 HHEDMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430170635 977366095 /nfs/dbraw/zinc/36/60/95/977366095.db2.gz QWYYXGRYBWLSSX-JOCHJYFZSA-N 1 1 416.481 3.589 20 30 HHEDMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430171723 977367707 /nfs/dbraw/zinc/36/77/07/977367707.db2.gz OYRQFIRBQJOQNG-GOSISDBHSA-N 1 1 409.440 3.687 20 30 HHEDMO COc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OCc1cccnc1 ZINC000430174052 977369075 /nfs/dbraw/zinc/36/90/75/977369075.db2.gz UYDNEEWRTSEMQS-NRFANRHFSA-N 1 1 416.481 3.589 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1ccncc1 ZINC000430175237 977370064 /nfs/dbraw/zinc/37/00/64/977370064.db2.gz BVCPQRFBDLEJLU-NRFANRHFSA-N 1 1 416.481 3.589 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)nc1 ZINC000430186262 977377836 /nfs/dbraw/zinc/37/78/36/977377836.db2.gz MMIJXQWJAZXJEY-QHCPKHFHSA-N 1 1 422.492 3.854 20 30 HHEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430728418 977714684 /nfs/dbraw/zinc/71/46/84/977714684.db2.gz CJACAUPAAVGOKB-SUMWQHHRSA-N 1 1 422.348 3.792 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cccc(SCC#N)c3)cc2)C[C@H](C)O1 ZINC000430738584 977718935 /nfs/dbraw/zinc/71/89/35/977718935.db2.gz ZQMVAZSYDPCXAS-HDICACEKSA-N 1 1 409.555 3.841 20 30 HHEDMO C=CCN1C(=O)N([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431704487 978447516 /nfs/dbraw/zinc/44/75/16/978447516.db2.gz XXUOHYQIOBETKJ-PTUXOGIPSA-N 1 1 403.526 3.711 20 30 HHEDMO N#CCCC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000431771473 978499602 /nfs/dbraw/zinc/49/96/02/978499602.db2.gz WGSJIGOONZZHLO-HSZRJFAPSA-N 1 1 406.530 3.753 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 ZINC000431991786 978634837 /nfs/dbraw/zinc/63/48/37/978634837.db2.gz LNDZWKZZNAEXLL-HNNXBMFYSA-N 1 1 403.486 3.580 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cscc3Br)CC2)cc1 ZINC000432068724 978667629 /nfs/dbraw/zinc/66/76/29/978667629.db2.gz XVIDUOWBTGXJFH-UHFFFAOYSA-N 1 1 418.360 3.659 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000432472184 978832940 /nfs/dbraw/zinc/83/29/40/978832940.db2.gz DCZYXLDMVSNPSS-UHFFFAOYSA-N 1 1 410.562 3.782 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000432525039 978864528 /nfs/dbraw/zinc/86/45/28/978864528.db2.gz TXSWCNXLQMXTBD-AFARHQOCSA-N 1 1 406.505 3.861 20 30 HHEDMO C[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[N@H+](C2CCC2)C1 ZINC000432719027 978947205 /nfs/dbraw/zinc/94/72/05/978947205.db2.gz MACHUSMPQASIQO-CQSZACIVSA-N 1 1 410.440 3.837 20 30 HHEDMO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCO1 ZINC000433519329 979354211 /nfs/dbraw/zinc/35/42/11/979354211.db2.gz KUOIKPJYGZCMED-GOSISDBHSA-N 1 1 408.502 3.973 20 30 HHEDMO CCCOc1cccc(CCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000433798985 979582946 /nfs/dbraw/zinc/58/29/46/979582946.db2.gz NDAPMWLSTFEGFY-UHFFFAOYSA-N 1 1 420.557 3.807 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC000434807974 980412571 /nfs/dbraw/zinc/41/25/71/980412571.db2.gz NJXOCKMDEBUKOH-QGZVFWFLSA-N 1 1 414.571 3.769 20 30 HHEDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434834275 980431346 /nfs/dbraw/zinc/43/13/46/980431346.db2.gz PBIZENRZNRBCJM-UHFFFAOYSA-N 1 1 424.455 3.598 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434834275 980431348 /nfs/dbraw/zinc/43/13/48/980431348.db2.gz PBIZENRZNRBCJM-UHFFFAOYSA-N 1 1 424.455 3.598 20 30 HHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000434979335 980545899 /nfs/dbraw/zinc/54/58/99/980545899.db2.gz SHDGMIXWAQSTQW-UXHICEINSA-N 1 1 409.534 3.598 20 30 HHEDMO N#CCCn1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000434986820 980550771 /nfs/dbraw/zinc/55/07/71/980550771.db2.gz JEWYMCUDBIFTFO-XMMPIXPASA-N 1 1 410.525 3.846 20 30 HHEDMO N#Cc1cccc(C2(C(=O)N[C@@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)CC2)c1 ZINC000435021293 980577203 /nfs/dbraw/zinc/57/72/03/980577203.db2.gz PJZOASQWTBIJQM-HXUWFJFHSA-N 1 1 413.443 3.999 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435128440 980659986 /nfs/dbraw/zinc/65/99/86/980659986.db2.gz HSNAUKMHLDNYTD-NRFANRHFSA-N 1 1 414.557 3.955 20 30 HHEDMO N#CCCn1cc(CN2CCC[N@@H+](CC3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000435128297 980660022 /nfs/dbraw/zinc/66/00/22/980660022.db2.gz CMEKHPZIVYPBSI-UHFFFAOYSA-N 1 1 406.578 3.947 20 30 HHEDMO N#CCCn1cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435132136 980663290 /nfs/dbraw/zinc/66/32/90/980663290.db2.gz IAAOYXPADIZMFW-NRFANRHFSA-N 1 1 401.514 3.897 20 30 HHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000435158838 980687056 /nfs/dbraw/zinc/68/70/56/980687056.db2.gz WJWVXNJPYFITEU-IJEWVQPXSA-N 1 1 415.481 3.603 20 30 HHEDMO Cc1cc(NC(=O)COc2ccc(C#N)cc2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435281404 980757159 /nfs/dbraw/zinc/75/71/59/980757159.db2.gz WKPDECQMEBYPLP-OAQYLSRUSA-N 1 1 415.497 3.528 20 30 HHEDMO N#Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)s1 ZINC000435445687 980867379 /nfs/dbraw/zinc/86/73/79/980867379.db2.gz GJVBMRBRLBZBAM-UHFFFAOYSA-N 1 1 409.964 3.560 20 30 HHEDMO C=CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000436386779 981341319 /nfs/dbraw/zinc/34/13/19/981341319.db2.gz JFWUDKKGZFTBID-OAHLLOKOSA-N 1 1 412.444 3.518 20 30 HHEDMO N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)nc1 ZINC000448201960 981614182 /nfs/dbraw/zinc/61/41/82/981614182.db2.gz IIRBGEFLIPMGSD-SIKLNZKXSA-N 1 1 402.498 3.834 20 30 HHEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000448325717 981700896 /nfs/dbraw/zinc/70/08/96/981700896.db2.gz RVHRAICCVUBHQS-NRFANRHFSA-N 1 1 420.513 3.526 20 30 HHEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000448327168 981701506 /nfs/dbraw/zinc/70/15/06/981701506.db2.gz HJEUWFOHIZCMNU-OAQYLSRUSA-N 1 1 420.513 3.526 20 30 HHEDMO N#Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1OCC(F)(F)F ZINC000448383143 981740147 /nfs/dbraw/zinc/74/01/47/981740147.db2.gz OPJIHYNJJOLXDJ-KDOFPFPSSA-N 1 1 422.451 3.980 20 30 HHEDMO C=CCc1cc(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc(OC)c1O ZINC000437349783 982000477 /nfs/dbraw/zinc/00/04/77/982000477.db2.gz VTQSMDKWVGDSGB-IIBYNOLFSA-N 1 1 403.544 3.702 20 30 HHEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3OC(F)F)C2)n1 ZINC000437438433 982075582 /nfs/dbraw/zinc/07/55/82/982075582.db2.gz JLQFUZYWHTVFQK-KRWDZBQOSA-N 1 1 400.429 3.714 20 30 HHEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)n1 ZINC000437438433 982075588 /nfs/dbraw/zinc/07/55/88/982075588.db2.gz JLQFUZYWHTVFQK-KRWDZBQOSA-N 1 1 400.429 3.714 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460551023 982337009 /nfs/dbraw/zinc/33/70/09/982337009.db2.gz LMXUNHPZXBHQDL-MOPGFXCFSA-N 1 1 413.566 3.608 20 30 HHEDMO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460564633 982349573 /nfs/dbraw/zinc/34/95/73/982349573.db2.gz XJLSAISAJNUTNT-DENIHFKCSA-N 1 1 411.594 3.815 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460565850 982350747 /nfs/dbraw/zinc/35/07/47/982350747.db2.gz IVSBZMWIFRJSME-GOSISDBHSA-N 1 1 401.942 3.760 20 30 HHEDMO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000460573696 982357688 /nfs/dbraw/zinc/35/76/88/982357688.db2.gz LQOGONPVGLYSCB-SFHVURJKSA-N 1 1 421.545 3.957 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437807076 982369007 /nfs/dbraw/zinc/36/90/07/982369007.db2.gz VWRUNOBHUOUIIW-FIYPYCPBSA-N 1 1 409.933 3.752 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000437988187 982509101 /nfs/dbraw/zinc/50/91/01/982509101.db2.gz AIBCZHXDLKTJMX-QQUTXWOLSA-N 1 1 414.594 3.613 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000437988187 982509107 /nfs/dbraw/zinc/50/91/07/982509107.db2.gz AIBCZHXDLKTJMX-QQUTXWOLSA-N 1 1 414.594 3.613 20 30 HHEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460774287 982527048 /nfs/dbraw/zinc/52/70/48/982527048.db2.gz BFAJCWBSFHRDEA-FXAWDEMLSA-N 1 1 410.566 3.869 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4ccccc4F)C3)CC2)cc1 ZINC000438040562 982543609 /nfs/dbraw/zinc/54/36/09/982543609.db2.gz UDAAMVDYVZCPPD-MEMLXQNLSA-N 1 1 406.505 3.861 20 30 HHEDMO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460955735 982688848 /nfs/dbraw/zinc/68/88/48/982688848.db2.gz CXFNAFPDUQRSFK-QZTJIDSGSA-N 1 1 413.566 3.847 20 30 HHEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460959086 982691073 /nfs/dbraw/zinc/69/10/73/982691073.db2.gz JQQLASVGPWHGAH-OAQYLSRUSA-N 1 1 416.573 3.941 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460960126 982691911 /nfs/dbraw/zinc/69/19/11/982691911.db2.gz PGVMLIIBPOFDNC-FXAWDEMLSA-N 1 1 413.566 3.705 20 30 HHEDMO CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000438655570 982973145 /nfs/dbraw/zinc/97/31/45/982973145.db2.gz MHPQNFYZKHKIIU-OXJNMPFZSA-N 1 1 424.932 3.834 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1C#N ZINC000439303254 983353904 /nfs/dbraw/zinc/35/39/04/983353904.db2.gz WWSPCYSHWBTRFU-QFIPXVFZSA-N 1 1 424.520 3.934 20 30 HHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000439437637 983408578 /nfs/dbraw/zinc/40/85/78/983408578.db2.gz ZOTWOBRMITUPML-ZWKOTPCHSA-N 1 1 416.591 3.504 20 30 HHEDMO CCCc1c(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439678358 983497698 /nfs/dbraw/zinc/49/76/98/983497698.db2.gz OALQWHPPJLMGIM-QZTJIDSGSA-N 1 1 408.550 3.938 20 30 HHEDMO CC[C@H](C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000440479431 983771778 /nfs/dbraw/zinc/77/17/78/983771778.db2.gz RLGMLQYQGAAUTK-INIZCTEOSA-N 1 1 403.486 3.836 20 30 HHEDMO N#Cc1cnc2c(Br)cccc2c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000440660996 983842947 /nfs/dbraw/zinc/84/29/47/983842947.db2.gz OSPOYYXFAYMFDT-UHFFFAOYSA-N 1 1 408.303 3.586 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H]([C@H]4CCOC4)C3)sc2C1 ZINC000441227632 984126439 /nfs/dbraw/zinc/12/64/39/984126439.db2.gz LYXKCEHEIDZJNM-IKGGRYGDSA-N 1 1 401.576 3.822 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441283700 984158115 /nfs/dbraw/zinc/15/81/15/984158115.db2.gz WMTODOGKTBQNRG-RTBURBONSA-N 1 1 424.520 3.792 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000441388981 984225192 /nfs/dbraw/zinc/22/51/92/984225192.db2.gz UEDINCIMLIULFH-XJKSGUPXSA-N 1 1 410.331 3.911 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441399350 984230619 /nfs/dbraw/zinc/23/06/19/984230619.db2.gz DTAGRPOSXLQDHA-OPYAIIAOSA-N 1 1 412.603 3.826 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441401834 984232850 /nfs/dbraw/zinc/23/28/50/984232850.db2.gz GRRFRIIINIQKER-LVCYWYKZSA-N 1 1 412.603 3.968 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000441662526 984381348 /nfs/dbraw/zinc/38/13/48/984381348.db2.gz BALCLMIKVPYHKY-MRXNPFEDSA-N 1 1 404.470 3.561 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1 ZINC000441684401 984394015 /nfs/dbraw/zinc/39/40/15/984394015.db2.gz GRTGXFIORZGGIU-ZDUSSCGKSA-N 1 1 407.861 3.522 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1cccs1 ZINC000441924320 984543613 /nfs/dbraw/zinc/54/36/13/984543613.db2.gz JVPOBUDBGWTSRL-JXFKEZNVSA-N 1 1 424.570 3.687 20 30 HHEDMO N#Cc1cc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)ccc1OC(F)(F)F ZINC000442175926 984698336 /nfs/dbraw/zinc/69/83/36/984698336.db2.gz PFBXXSAOGHWHMD-UHFFFAOYSA-N 1 1 424.448 3.911 20 30 HHEDMO N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cn1 ZINC000461750098 984759635 /nfs/dbraw/zinc/75/96/35/984759635.db2.gz WHDNZDRQTOHNHL-QGZVFWFLSA-N 1 1 415.501 3.584 20 30 HHEDMO C[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1cccc(C#N)c1 ZINC000461927519 984935930 /nfs/dbraw/zinc/93/59/30/984935930.db2.gz MCSRRPRYEZCRRM-SFHVURJKSA-N 1 1 410.949 3.644 20 30 HHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000462176515 985156158 /nfs/dbraw/zinc/15/61/58/985156158.db2.gz NXXAORNCQHHBDF-HSZRJFAPSA-N 1 1 414.571 3.502 20 30 HHEDMO N#Cc1cccc([C@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)CCO2)c1 ZINC000443079010 985364949 /nfs/dbraw/zinc/36/49/49/985364949.db2.gz YBCLDTDGMKAOQN-DGWZTRNLSA-N 1 1 415.537 3.760 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H]1C ZINC000443355628 985518120 /nfs/dbraw/zinc/51/81/20/985518120.db2.gz KOIQYSCVKCDEJB-XLIONFOSSA-N 1 1 420.513 3.620 20 30 HHEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000443641952 985831391 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404.558 3.602 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000444398090 986577723 /nfs/dbraw/zinc/57/77/23/986577723.db2.gz PURXHCIYEILVFQ-MRXNPFEDSA-N 1 1 403.486 3.979 20 30 HHEDMO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000468898196 986604982 /nfs/dbraw/zinc/60/49/82/986604982.db2.gz HEYLDAFEPZAOPJ-UTKZUKDTSA-N 1 1 400.482 3.854 20 30 HHEDMO N#CC(CC[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000444684268 986864916 /nfs/dbraw/zinc/86/49/16/986864916.db2.gz LCJVDHCXCBJQHK-SFHVURJKSA-N 1 1 415.459 3.887 20 30 HHEDMO CCC[C@]1(CO)CCC[N@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000444759606 986920800 /nfs/dbraw/zinc/92/08/00/986920800.db2.gz HDMOEHVIKMURDZ-HSZRJFAPSA-N 1 1 412.534 3.574 20 30 HHEDMO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000469231707 986952530 /nfs/dbraw/zinc/95/25/30/986952530.db2.gz JTKQXVSTYMOXAO-UTKZUKDTSA-N 1 1 400.482 3.996 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000469722791 987374741 /nfs/dbraw/zinc/37/47/41/987374741.db2.gz HJWFUWVRNYEETJ-INIZCTEOSA-N 1 1 422.495 3.553 20 30 HHEDMO N#CCCN(C(=O)C[N@H+](CCO)[C@@H]1CCCc2ccccc21)c1cccc(Cl)c1 ZINC000470221277 988149809 /nfs/dbraw/zinc/14/98/09/988149809.db2.gz XGUACHIPDGYCNU-JOCHJYFZSA-N 1 1 411.933 3.959 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000470343667 988309589 /nfs/dbraw/zinc/30/95/89/988309589.db2.gz HSXYPQFBWFZWIQ-GOSISDBHSA-N 1 1 408.502 3.579 20 30 HHEDMO CCCC[N@@H+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000464202065 988321441 /nfs/dbraw/zinc/32/14/41/988321441.db2.gz XLACPRWGKNTAOT-UHFFFAOYSA-N 1 1 415.559 3.667 20 30 HHEDMO COC(C)(C)c1nc(C)c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000464283290 988404496 /nfs/dbraw/zinc/40/44/96/988404496.db2.gz DMIXXCPKISZERP-UHFFFAOYSA-N 1 1 412.559 3.621 20 30 HHEDMO C=C(C)C[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)Cc1ccccc1 ZINC000470912014 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406.324 3.887 20 30 HHEDMO CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000472737125 993666343 /nfs/dbraw/zinc/66/63/43/993666343.db2.gz JBRDPBYWHAESDI-UHFFFAOYSA-N 1 1 408.502 3.925 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 ZINC000481026241 993870722 /nfs/dbraw/zinc/87/07/22/993870722.db2.gz RFQZTNUPQOJAOZ-KRWDZBQOSA-N 1 1 415.534 3.691 20 30 HHEDMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481029122 993873695 /nfs/dbraw/zinc/87/36/95/993873695.db2.gz WWGVNTCFFCCMDB-DYESRHJHSA-N 1 1 415.534 3.685 20 30 HHEDMO C[C@H](CCNC(=O)N1CCCN(c2ccccc2C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473022257 993941689 /nfs/dbraw/zinc/94/16/89/993941689.db2.gz LSHGAMRVQVURRC-OAQYLSRUSA-N 1 1 419.573 3.691 20 30 HHEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481167705 993998084 /nfs/dbraw/zinc/99/80/84/993998084.db2.gz LWLSINLAXLOUFE-FIKGOQFSSA-N 1 1 422.598 3.936 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481167705 993998095 /nfs/dbraw/zinc/99/80/95/993998095.db2.gz LWLSINLAXLOUFE-FIKGOQFSSA-N 1 1 422.598 3.936 20 30 HHEDMO C=C(C)C[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000481214103 994047207 /nfs/dbraw/zinc/04/72/07/994047207.db2.gz UECUIHOQXMMISA-GOSISDBHSA-N 1 1 413.543 3.951 20 30 HHEDMO C=C(C)C[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000481214103 994047211 /nfs/dbraw/zinc/04/72/11/994047211.db2.gz UECUIHOQXMMISA-GOSISDBHSA-N 1 1 413.543 3.951 20 30 HHEDMO C=CCOc1ccc(C(=O)N[C@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1OC ZINC000473198188 994061276 /nfs/dbraw/zinc/06/12/76/994061276.db2.gz PGEIXMKDECQIQI-QPPBQGQZSA-N 1 1 424.541 3.669 20 30 HHEDMO C=CCOc1ccc(C(=O)N[C@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1OC ZINC000473198188 994061283 /nfs/dbraw/zinc/06/12/83/994061283.db2.gz PGEIXMKDECQIQI-QPPBQGQZSA-N 1 1 424.541 3.669 20 30 HHEDMO N#CCCCOc1cccnc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000481381487 994213082 /nfs/dbraw/zinc/21/30/82/994213082.db2.gz NOOKHAUJTHSDRN-XMMPIXPASA-N 1 1 419.529 3.894 20 30 HHEDMO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000473432842 994284258 /nfs/dbraw/zinc/28/42/58/994284258.db2.gz GYKDBKZENHLATG-HSZRJFAPSA-N 1 1 407.489 3.732 20 30 HHEDMO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC2)cc1 ZINC000473432842 994284269 /nfs/dbraw/zinc/28/42/69/994284269.db2.gz GYKDBKZENHLATG-HSZRJFAPSA-N 1 1 407.489 3.732 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481610792 994465882 /nfs/dbraw/zinc/46/58/82/994465882.db2.gz PRMMTLUABJKKOY-HNNXBMFYSA-N 1 1 415.896 3.747 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000481631812 994498818 /nfs/dbraw/zinc/49/88/18/994498818.db2.gz YHYQZLFCXNYOKM-OAQYLSRUSA-N 1 1 407.424 3.868 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000481633868 994500681 /nfs/dbraw/zinc/50/06/81/994500681.db2.gz XUQDZBYWSSVEED-YJYMSZOUSA-N 1 1 408.470 3.602 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000481633866 994500792 /nfs/dbraw/zinc/50/07/92/994500792.db2.gz XUQDZBYWSSVEED-ORAYPTAESA-N 1 1 408.470 3.602 20 30 HHEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C2(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000473637914 994519623 /nfs/dbraw/zinc/51/96/23/994519623.db2.gz DIKBUSQARIQHFQ-OALUTQOASA-N 1 1 403.526 3.515 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000473673281 994563079 /nfs/dbraw/zinc/56/30/79/994563079.db2.gz DUMYXITWTMUIQY-QGZVFWFLSA-N 1 1 403.596 3.618 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)nnc1-c1ccco1 ZINC000481759968 994612111 /nfs/dbraw/zinc/61/21/11/994612111.db2.gz ISTCFNZICBJELG-CALCHBBNSA-N 1 1 417.579 3.585 20 30 HHEDMO 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1008158499 /nfs/dbraw/zinc/15/84/99/1008158499.db2.gz GRKDHOWSSUNFCZ-XMMPIXPASA-N 1 1 405.542 3.874 20 30 HHEDMO C=CCOc1c(Br)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000539897399 1008171141 /nfs/dbraw/zinc/17/11/41/1008171141.db2.gz MDCWBTAAFQATIE-AEFFLSMTSA-N 1 1 409.368 3.939 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000518168471 1008192646 /nfs/dbraw/zinc/19/26/46/1008192646.db2.gz HVHXHYYVUASMPU-BRWVUGGUSA-N 1 1 404.580 3.948 20 30 HHEDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000540046135 1008255846 /nfs/dbraw/zinc/25/58/46/1008255846.db2.gz VRIOLNFAIMQGAX-UHFFFAOYSA-N 1 1 405.546 3.567 20 30 HHEDMO CC[N@@H+](CCC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1)CC1CC1 ZINC000540050464 1008259273 /nfs/dbraw/zinc/25/92/73/1008259273.db2.gz SAPAAKUAELOKBH-UHFFFAOYSA-N 1 1 402.970 3.984 20 30 HHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000518432761 1008303437 /nfs/dbraw/zinc/30/34/37/1008303437.db2.gz CVBULIBMUMESCU-UHFFFAOYSA-N 1 1 421.570 3.715 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(OC(F)F)cc1OC(F)F ZINC000540178275 1008324642 /nfs/dbraw/zinc/32/46/42/1008324642.db2.gz XKJAIFVWIPLXMT-KWQFWETISA-N 1 1 418.309 3.703 20 30 HHEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)CC1 ZINC000518510990 1008332810 /nfs/dbraw/zinc/33/28/10/1008332810.db2.gz OCRZFUHHGVAOPU-UHFFFAOYSA-N 1 1 406.574 3.708 20 30 HHEDMO COCC1(C)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 ZINC000540199713 1008333056 /nfs/dbraw/zinc/33/30/56/1008333056.db2.gz RUTXLIMEQHYBTP-UHFFFAOYSA-N 1 1 412.509 3.792 20 30 HHEDMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1)CC(C)C ZINC000540216130 1008339760 /nfs/dbraw/zinc/33/97/60/1008339760.db2.gz PUDSWLTZVLQICQ-UHFFFAOYSA-N 1 1 411.999 3.980 20 30 HHEDMO C=CC[N@@H+](Cc1cn(C)nc1-c1cccs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000540481912 1008448956 /nfs/dbraw/zinc/44/89/56/1008448956.db2.gz QQAVPYBNRMQWPY-INIZCTEOSA-N 1 1 405.531 3.874 20 30 HHEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000518950528 1008484199 /nfs/dbraw/zinc/48/41/99/1008484199.db2.gz RTKZYPQKDYVARL-FDDCHVKYSA-N 1 1 407.514 3.994 20 30 HHEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000519088807 1008527278 /nfs/dbraw/zinc/52/72/78/1008527278.db2.gz ROFXROYBGGXYHF-ROUUACIJSA-N 1 1 420.513 3.526 20 30 HHEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000549298987 1008873920 /nfs/dbraw/zinc/87/39/20/1008873920.db2.gz OVJBQCVPFAUXHY-UHFFFAOYSA-N 1 1 406.509 3.686 20 30 HHEDMO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000519567189 1008910924 /nfs/dbraw/zinc/91/09/24/1008910924.db2.gz HNKYBSVFRJYCQT-CRAIPNDOSA-N 1 1 403.958 3.960 20 30 HHEDMO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000519783683 1009004335 /nfs/dbraw/zinc/00/43/35/1009004335.db2.gz AOUHSSFVPODRCG-CRAIPNDOSA-N 1 1 401.942 3.930 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](c2nnc3ccccn32)C(C)C)ccc1Cl ZINC000543471963 1009062114 /nfs/dbraw/zinc/06/21/14/1009062114.db2.gz OVDFQEYNFHXNSQ-NRFANRHFSA-N 1 1 424.936 3.925 20 30 HHEDMO Cc1cc(C[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cc(C)c1OCC(F)(F)F ZINC000519904158 1009066732 /nfs/dbraw/zinc/06/67/32/1009066732.db2.gz VVSNVSOYIZNHMS-UHFFFAOYSA-N 1 1 419.447 3.864 20 30 HHEDMO Cc1cc(C[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)cc(C)c1OCC(F)(F)F ZINC000519904158 1009066745 /nfs/dbraw/zinc/06/67/45/1009066745.db2.gz VVSNVSOYIZNHMS-UHFFFAOYSA-N 1 1 419.447 3.864 20 30 HHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C1 ZINC000549594665 1009220884 /nfs/dbraw/zinc/22/08/84/1009220884.db2.gz IFHARDSXUKRDKN-IFMALSPDSA-N 1 1 422.577 3.554 20 30 HHEDMO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000549770579 1009383952 /nfs/dbraw/zinc/38/39/52/1009383952.db2.gz OMAJSNYNYSNINO-WZONZLPQSA-N 1 1 406.505 3.572 20 30 HHEDMO C=CC[N@@H+](Cc1c(C)nn(-c2ccccn2)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000549802233 1009409304 /nfs/dbraw/zinc/40/93/04/1009409304.db2.gz WSUNLDCJHFEPHT-SFHVURJKSA-N 1 1 414.517 3.609 20 30 HHEDMO C[C@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543943197 1009536922 /nfs/dbraw/zinc/53/69/22/1009536922.db2.gz QOFQRXMRRMTALX-IBGZPJMESA-N 1 1 419.573 3.611 20 30 HHEDMO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CC2)c1 ZINC000520546537 1009631820 /nfs/dbraw/zinc/63/18/20/1009631820.db2.gz KZFVZCXKBNTXKI-NRFANRHFSA-N 1 1 421.516 3.979 20 30 HHEDMO C=C(C)Cn1c(COCC)nnc1N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000520616289 1009692606 /nfs/dbraw/zinc/69/26/06/1009692606.db2.gz VIWWAIPUMXZPAF-KRWDZBQOSA-N 1 1 403.958 3.927 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1C ZINC000520734621 1009803835 /nfs/dbraw/zinc/80/38/35/1009803835.db2.gz KXZKDZQYNAEYTJ-FQEVSTJZSA-N 1 1 405.546 3.827 20 30 HHEDMO C[N@@H+](CCc1ccc(Br)cc1)CC(=O)N(CCC#N)c1ccccc1 ZINC000520746332 1009816303 /nfs/dbraw/zinc/81/63/03/1009816303.db2.gz ZKVQGXRKTUAFLP-UHFFFAOYSA-N 1 1 400.320 3.870 20 30 HHEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@H](C(F)(F)F)C1 ZINC000550346827 1009877616 /nfs/dbraw/zinc/87/76/16/1009877616.db2.gz WRZJJYRIYNYVKG-RTBURBONSA-N 1 1 423.479 3.837 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000544310187 1009933245 /nfs/dbraw/zinc/93/32/45/1009933245.db2.gz XBHCGTANVOQXNV-YLJYHZDGSA-N 1 1 408.502 3.540 20 30 HHEDMO COCC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1ccco1 ZINC000544418799 1010035766 /nfs/dbraw/zinc/03/57/66/1010035766.db2.gz USIQGUALVPZSBT-NRFANRHFSA-N 1 1 420.513 3.924 20 30 HHEDMO Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn2cc[nH+]c12 ZINC000550597889 1010055138 /nfs/dbraw/zinc/05/51/38/1010055138.db2.gz ADLYGPGXMHDIMI-QGZVFWFLSA-N 1 1 423.476 3.997 20 30 HHEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000521265882 1010266723 /nfs/dbraw/zinc/26/67/23/1010266723.db2.gz UBEOUKZUPKWWJL-QZTJIDSGSA-N 1 1 404.514 3.606 20 30 HHEDMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000521321869 1010303994 /nfs/dbraw/zinc/30/39/94/1010303994.db2.gz MCGKWQGMAHUZFL-UHFFFAOYSA-N 1 1 406.921 3.731 20 30 HHEDMO CC(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)N1CC[NH+](C)CC1 ZINC000521367054 1010336952 /nfs/dbraw/zinc/33/69/52/1010336952.db2.gz ZAOZJJVTVVKWIT-HSZRJFAPSA-N 1 1 421.545 3.744 20 30 HHEDMO Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc1NC(=O)C[NH+]1CCCCC1 ZINC000521393012 1010353239 /nfs/dbraw/zinc/35/32/39/1010353239.db2.gz PEVBPGREADWHFJ-SFHVURJKSA-N 1 1 420.513 3.697 20 30 HHEDMO CCN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544897793 1010473724 /nfs/dbraw/zinc/47/37/24/1010473724.db2.gz QFCUXKFRVYKZDB-HXUWFJFHSA-N 1 1 408.571 3.837 20 30 HHEDMO CCN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544897778 1010473859 /nfs/dbraw/zinc/47/38/59/1010473859.db2.gz QFCUXKFRVYKZDB-FQEVSTJZSA-N 1 1 408.571 3.837 20 30 HHEDMO C=CCN(CCc1ccccc1)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000521641317 1010518118 /nfs/dbraw/zinc/51/81/18/1010518118.db2.gz ONRYMJRSJQKHBF-NRFANRHFSA-N 1 1 407.558 3.848 20 30 HHEDMO C=CCN(CCc1ccccc1)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000521641317 1010518130 /nfs/dbraw/zinc/51/81/30/1010518130.db2.gz ONRYMJRSJQKHBF-NRFANRHFSA-N 1 1 407.558 3.848 20 30 HHEDMO C=CC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cccc(C#N)c1 ZINC000521711266 1010566883 /nfs/dbraw/zinc/56/68/83/1010566883.db2.gz SBCCGAHBVLLRKE-UHFFFAOYSA-N 1 1 402.498 3.702 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1C#N ZINC000551427889 1010580784 /nfs/dbraw/zinc/58/07/84/1010580784.db2.gz PFVGYUDJFOKVAH-FGZHOGPDSA-N 1 1 406.530 3.607 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1C#N ZINC000551427889 1010580795 /nfs/dbraw/zinc/58/07/95/1010580795.db2.gz PFVGYUDJFOKVAH-FGZHOGPDSA-N 1 1 406.530 3.607 20 30 HHEDMO Cc1c2c(nc(S[C@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c1C#N)CCC2 ZINC000521799332 1010626943 /nfs/dbraw/zinc/62/69/43/1010626943.db2.gz WMNOBMLPJJFSQP-MJGOQNOKSA-N 1 1 420.582 3.622 20 30 HHEDMO CC(C)[N@@H+](CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000521821763 1010642276 /nfs/dbraw/zinc/64/22/76/1010642276.db2.gz UWHGDULNXNEIFF-NRFANRHFSA-N 1 1 404.558 3.674 20 30 HHEDMO COC(=O)c1ccc(-c2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)co2)cc1 ZINC000521886699 1010686560 /nfs/dbraw/zinc/68/65/60/1010686560.db2.gz HXCULVZRELYBAQ-UHFFFAOYSA-N 1 1 405.454 3.648 20 30 HHEDMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)co2)cc1 ZINC000521886699 1010686571 /nfs/dbraw/zinc/68/65/71/1010686571.db2.gz HXCULVZRELYBAQ-UHFFFAOYSA-N 1 1 405.454 3.648 20 30 HHEDMO CC1(c2ccccc2)CC(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000545245056 1010700985 /nfs/dbraw/zinc/70/09/85/1010700985.db2.gz JHVARXOSQJXNRU-UHFFFAOYSA-N 1 1 402.542 3.896 20 30 HHEDMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@@H]1c1cccs1 ZINC000548906533 1010757024 /nfs/dbraw/zinc/75/70/24/1010757024.db2.gz PXWWURRNRILJMO-WIYYLYMNSA-N 1 1 423.586 3.793 20 30 HHEDMO Cn1c(-c2ccc3ccccc3c2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000548910540 1010757402 /nfs/dbraw/zinc/75/74/02/1010757402.db2.gz BWZWUYURYSXUON-UHFFFAOYSA-N 1 1 408.509 3.829 20 30 HHEDMO CCc1nc(C[NH+]2CCC(CNC(=O)Nc3cc(C#N)ccc3OC)CC2)cs1 ZINC000522086823 1010800955 /nfs/dbraw/zinc/80/09/55/1010800955.db2.gz WJCKJJAVQHFLFW-UHFFFAOYSA-N 1 1 413.547 3.619 20 30 HHEDMO CC(C)(CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000522218646 1010872379 /nfs/dbraw/zinc/87/23/79/1010872379.db2.gz XYQYOLCBHWMJKJ-UHFFFAOYSA-N 1 1 408.521 3.892 20 30 HHEDMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)s2)cc1 ZINC000522377092 1010967203 /nfs/dbraw/zinc/96/72/03/1010967203.db2.gz PLVNITAATCFMKJ-YJYMSZOUSA-N 1 1 406.511 3.876 20 30 HHEDMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)s2)cc1 ZINC000522376998 1010967294 /nfs/dbraw/zinc/96/72/94/1010967294.db2.gz PLVNITAATCFMKJ-BFUOFWGJSA-N 1 1 406.511 3.876 20 30 HHEDMO CSCC[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nnc2ccccn21 ZINC000540597443 1011253095 /nfs/dbraw/zinc/25/30/95/1011253095.db2.gz OVVZIIMVAHVRDA-OAQYLSRUSA-N 1 1 420.586 3.649 20 30 HHEDMO C[N@@H+]1CC[C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000536372436 1011582188 /nfs/dbraw/zinc/58/21/88/1011582188.db2.gz RMPZDIHRPRBRRH-NFBKMPQASA-N 1 1 424.932 3.882 20 30 HHEDMO C[N@H+]1CC[C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000536372436 1011582194 /nfs/dbraw/zinc/58/21/94/1011582194.db2.gz RMPZDIHRPRBRRH-NFBKMPQASA-N 1 1 424.932 3.882 20 30 HHEDMO C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000540979638 1011611951 /nfs/dbraw/zinc/61/19/51/1011611951.db2.gz JKDDIYJWVLIMQD-FUHWJXTLSA-N 1 1 418.476 3.668 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000536535783 1011723185 /nfs/dbraw/zinc/72/31/85/1011723185.db2.gz CTLPAQVNBXCHIY-UHFFFAOYSA-N 1 1 420.532 3.938 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCOc4ccccc43)CC2)cc1 ZINC000523368187 1011847696 /nfs/dbraw/zinc/84/76/96/1011847696.db2.gz NPTSLTBJSABKIK-JOCHJYFZSA-N 1 1 404.514 3.689 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000536713259 1011886363 /nfs/dbraw/zinc/88/63/63/1011886363.db2.gz MJTMYCKNWGMBAS-IBGZPJMESA-N 1 1 406.530 3.680 20 30 HHEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)cc1 ZINC000541387379 1012110542 /nfs/dbraw/zinc/11/05/42/1012110542.db2.gz REPKUPGKYNOZET-ZBFHGGJFSA-N 1 1 407.333 3.959 20 30 HHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)s2)cc1 ZINC000541387379 1012110551 /nfs/dbraw/zinc/11/05/51/1012110551.db2.gz REPKUPGKYNOZET-ZBFHGGJFSA-N 1 1 407.333 3.959 20 30 HHEDMO N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000552199216 1012210479 /nfs/dbraw/zinc/21/04/79/1012210479.db2.gz QNPRLKUBVJZHTI-OAQYLSRUSA-N 1 1 417.465 3.549 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000541613346 1012416415 /nfs/dbraw/zinc/41/64/15/1012416415.db2.gz HZJXEGVMTRTAEX-HNDADQJNSA-N 1 1 415.584 3.729 20 30 HHEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000537247797 1012693458 /nfs/dbraw/zinc/69/34/58/1012693458.db2.gz HCDGIMXPDBDAMT-FGZHOGPDSA-N 1 1 420.582 3.609 20 30 HHEDMO CCC[N@@H+](C)[C@@H](CNC(=O)COc1ccc(C#N)cc1OC)c1ccc(Cl)cc1 ZINC000552683882 1012694649 /nfs/dbraw/zinc/69/46/49/1012694649.db2.gz KGWJGDQSMYQZDP-IBGZPJMESA-N 1 1 415.921 3.798 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000541906389 1012765357 /nfs/dbraw/zinc/76/53/57/1012765357.db2.gz GIDPSYKWEOLTES-CALCHBBNSA-N 1 1 412.513 3.763 20 30 HHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC001211975692 1071829037 /nfs/dbraw/zinc/82/90/37/1071829037.db2.gz NQOJXDQPGOZJLA-IRXDYDNUSA-N 1 1 419.522 3.841 20 30 HHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccccc2N2CCOCC2)no1 ZINC001211975657 1071829110 /nfs/dbraw/zinc/82/91/10/1071829110.db2.gz MZOBAEVKOSZCNA-RXVVDRJESA-N 1 1 414.550 3.651 20 30 HHEDMO C=CCN1CC[C@@]2(C[N@@H+]([C@H]3Cc4ccc(OC)cc4C3)C[C@@H]2c2ccccc2)C1=O ZINC001168269426 1071879025 /nfs/dbraw/zinc/87/90/25/1071879025.db2.gz UUHCPBNFAWTLKJ-FBILRYNDSA-N 1 1 402.538 3.667 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000729810153 1072126174 /nfs/dbraw/zinc/12/61/74/1072126174.db2.gz VEBMUXIAOXTDJS-BQYDLMEBSA-N 1 1 424.497 3.533 20 30 HHEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC ZINC000729811871 1072127193 /nfs/dbraw/zinc/12/71/93/1072127193.db2.gz FDYGSILZFPVOSO-IEBWSBKVSA-N 1 1 412.559 3.649 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC ZINC000729811871 1072127199 /nfs/dbraw/zinc/12/71/99/1072127199.db2.gz FDYGSILZFPVOSO-IEBWSBKVSA-N 1 1 412.559 3.649 20 30 HHEDMO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c(F)c1 ZINC001127076441 1072294226 /nfs/dbraw/zinc/29/42/26/1072294226.db2.gz UTFWHSVZRGGUNZ-UHFFFAOYSA-N 1 1 416.294 3.854 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000570889473 1072402946 /nfs/dbraw/zinc/40/29/46/1072402946.db2.gz XWHBWKWKEJNRQT-CFLQYTFWSA-N 1 1 401.576 3.963 20 30 HHEDMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](NC(=O)CCOCC)c1ccnc2ccc(OC)cc21 ZINC001142525617 1072418712 /nfs/dbraw/zinc/41/87/12/1072418712.db2.gz FJBHHZSJWDVUNC-NJLIDXMJSA-N 1 1 423.557 3.724 20 30 HHEDMO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001168296166 1072451110 /nfs/dbraw/zinc/45/11/10/1072451110.db2.gz UKANXUNRNGIXCO-NTKDMRAZSA-N 1 1 419.573 3.823 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@@H](C)c2c(C)noc2C)cc1 ZINC000612461639 1072497928 /nfs/dbraw/zinc/49/79/28/1072497928.db2.gz LVWAKCMPFRRKSW-AWEZNQCLSA-N 1 1 421.501 3.869 20 30 HHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000587846425 1072707104 /nfs/dbraw/zinc/70/71/04/1072707104.db2.gz HOVSSPGBEXPZNF-DENIHFKCSA-N 1 1 420.532 3.647 20 30 HHEDMO CCC[C@]1(CO)CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000571888584 1072866327 /nfs/dbraw/zinc/86/63/27/1072866327.db2.gz OMKQTRNKMOLXEP-QHCPKHFHSA-N 1 1 412.509 3.528 20 30 HHEDMO CCC[C@]1(CO)CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000571888584 1072866339 /nfs/dbraw/zinc/86/63/39/1072866339.db2.gz OMKQTRNKMOLXEP-QHCPKHFHSA-N 1 1 412.509 3.528 20 30 HHEDMO CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC[N@H+]1C ZINC000555170750 1073228586 /nfs/dbraw/zinc/22/85/86/1073228586.db2.gz QTFMVSMHYHLBCA-JOCHJYFZSA-N 1 1 400.530 3.641 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000555271619 1073291543 /nfs/dbraw/zinc/29/15/43/1073291543.db2.gz CMMFHUNIKWZQPJ-SFHVURJKSA-N 1 1 413.566 3.707 20 30 HHEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000555255316 1073303838 /nfs/dbraw/zinc/30/38/38/1073303838.db2.gz CYTHVRKJFBXJOO-HKUYNNGSSA-N 1 1 401.530 3.910 20 30 HHEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 ZINC000555296613 1073327825 /nfs/dbraw/zinc/32/78/25/1073327825.db2.gz SYFQQAFZFWPKCM-DZGCQCFKSA-N 1 1 414.859 3.607 20 30 HHEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000555350470 1073362998 /nfs/dbraw/zinc/36/29/98/1073362998.db2.gz TWPVPFYAZIQZRQ-UHFFFAOYSA-N 1 1 409.534 3.803 20 30 HHEDMO COCc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1 ZINC000555417793 1073452173 /nfs/dbraw/zinc/45/21/73/1073452173.db2.gz NRSNNTANDSIUNW-OAQYLSRUSA-N 1 1 414.347 3.978 20 30 HHEDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000590388827 1073808479 /nfs/dbraw/zinc/80/84/79/1073808479.db2.gz NWDUJERXPYCPJZ-GOSISDBHSA-N 1 1 405.498 3.676 20 30 HHEDMO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccnc1 ZINC000590599656 1073934310 /nfs/dbraw/zinc/93/43/10/1073934310.db2.gz FERLNRVJAJVEPA-HXUWFJFHSA-N 1 1 412.559 3.572 20 30 HHEDMO N#Cc1c(CN2CCC[N@H+](Cc3cn4ccccc4c3C#N)CC2)cn2ccccc12 ZINC000590614826 1073942320 /nfs/dbraw/zinc/94/23/20/1073942320.db2.gz LRWCHFLXUXXNLK-UHFFFAOYSA-N 1 1 408.509 3.643 20 30 HHEDMO N#Cc1c(CN2CCC[N@@H+](Cc3cn4ccccc4c3C#N)CC2)cn2ccccc12 ZINC000590614826 1073942325 /nfs/dbraw/zinc/94/23/25/1073942325.db2.gz LRWCHFLXUXXNLK-UHFFFAOYSA-N 1 1 408.509 3.643 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000555992472 1074022806 /nfs/dbraw/zinc/02/28/06/1074022806.db2.gz RENDTYBHCNLCOV-HXUWFJFHSA-N 1 1 423.557 3.528 20 30 HHEDMO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573701261 1074633949 /nfs/dbraw/zinc/63/39/49/1074633949.db2.gz WCRQPPPYFXQFBE-HDICACEKSA-N 1 1 408.550 3.548 20 30 HHEDMO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573701261 1074633953 /nfs/dbraw/zinc/63/39/53/1074633953.db2.gz WCRQPPPYFXQFBE-HDICACEKSA-N 1 1 408.550 3.548 20 30 HHEDMO C=CCC[C@H](NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000574306938 1075216861 /nfs/dbraw/zinc/21/68/61/1075216861.db2.gz MRCHVJNQPNXOAE-UPVQGACJSA-N 1 1 419.569 3.791 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)[C@@H](C)C3)sc2C1 ZINC000761068176 1075338562 /nfs/dbraw/zinc/33/85/62/1075338562.db2.gz HDEIBFXMTMKOKB-JKSUJKDBSA-N 1 1 402.608 3.735 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)[C@H](C)C3)sc2C1 ZINC000761068175 1075338641 /nfs/dbraw/zinc/33/86/41/1075338641.db2.gz HDEIBFXMTMKOKB-HZPDHXFCSA-N 1 1 402.608 3.735 20 30 HHEDMO C=CCN(Cc1ccccc1F)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000596831606 1075591400 /nfs/dbraw/zinc/59/14/00/1075591400.db2.gz WGODIZYXNSVIKV-UHFFFAOYSA-N 1 1 419.504 3.531 20 30 HHEDMO C[NH+]1CCN(c2cc(C(=O)Nc3cccc(C#Cc4cccs4)c3)ccn2)CC1 ZINC000602080000 1075695485 /nfs/dbraw/zinc/69/54/85/1075695485.db2.gz FZCZMWHFLSNSHH-UHFFFAOYSA-N 1 1 402.523 3.547 20 30 HHEDMO Cc1ccc(CNC(=O)C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000328606440 569418454 /nfs/dbraw/zinc/41/84/54/569418454.db2.gz RNYNZKDFQYEPLG-HYBUGGRVSA-N 1 1 417.513 3.950 20 30 HHEDMO CSc1nc(Cl)c(C=NO)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625245 719066798 /nfs/dbraw/zinc/06/67/98/719066798.db2.gz NBRKZSAAPFYFMV-RDJZCZTQSA-N 1 1 417.966 3.761 20 30 HHEDMO CCCc1cc(C#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc1Cl ZINC001164810652 720129254 /nfs/dbraw/zinc/12/92/54/720129254.db2.gz KNYTXOJBPAPUTL-DENIHFKCSA-N 1 1 402.970 3.744 20 30 HHEDMO CCCc1cc(C#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc1Cl ZINC001164810665 720129480 /nfs/dbraw/zinc/12/94/80/720129480.db2.gz KNYTXOJBPAPUTL-UGKGYDQZSA-N 1 1 402.970 3.744 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)[C@H]2C ZINC001164853971 720925773 /nfs/dbraw/zinc/92/57/73/720925773.db2.gz DGFGSVUWAGPUMB-ZDUSSCGKSA-N 1 1 408.884 3.769 20 30 HHEDMO N#Cc1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164900448 721513011 /nfs/dbraw/zinc/51/30/11/721513011.db2.gz RCAKDBNRGFKALO-WBVHZDCISA-N 1 1 422.838 3.633 20 30 HHEDMO C=CCOc1cc(C)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909484 721755198 /nfs/dbraw/zinc/75/51/98/721755198.db2.gz FMYYAPGGPCTKLU-UHFFFAOYSA-N 1 1 405.502 3.533 20 30 HHEDMO C=CCOc1cc(C)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909484 721755204 /nfs/dbraw/zinc/75/52/04/721755204.db2.gz FMYYAPGGPCTKLU-UHFFFAOYSA-N 1 1 405.502 3.533 20 30 HHEDMO C=CC[NH+]1CCN(c2nc(CN3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC001165032463 721870886 /nfs/dbraw/zinc/87/08/86/721870886.db2.gz UAYONIOGMUNYBV-QGZVFWFLSA-N 1 1 411.619 3.720 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)cc1 ZINC000301332760 970872028 /nfs/dbraw/zinc/87/20/28/970872028.db2.gz FGCXJPZOYZVXSP-UHFFFAOYSA-N 1 1 415.291 3.941 20 30 HHEDMO N#Cc1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301390112 970903395 /nfs/dbraw/zinc/90/33/95/970903395.db2.gz ABTOXYLNGGIEPT-SFHVURJKSA-N 1 1 401.470 3.991 20 30 HHEDMO Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n2c3ccccc3nc2c1C#N ZINC000302042828 971159347 /nfs/dbraw/zinc/15/93/47/971159347.db2.gz IYGYDAFJEPAQEN-FQEVSTJZSA-N 1 1 411.509 3.846 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000542132556 1013065340 /nfs/dbraw/zinc/06/53/40/1013065340.db2.gz CUVUNZDIPVPINZ-IBGZPJMESA-N 1 1 406.530 3.913 20 30 HHEDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000302435842 971237440 /nfs/dbraw/zinc/23/74/40/971237440.db2.gz MECSCDWPFJSSIP-QHCPKHFHSA-N 1 1 406.917 3.833 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000302833027 971340471 /nfs/dbraw/zinc/34/04/71/971340471.db2.gz KSJWTOREVNODGO-QHCPKHFHSA-N 1 1 421.541 3.937 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000302833027 971340475 /nfs/dbraw/zinc/34/04/75/971340475.db2.gz KSJWTOREVNODGO-QHCPKHFHSA-N 1 1 421.541 3.937 20 30 HHEDMO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H](C(C)C)N2CCN(C)CC2)cc1 ZINC000303793880 972031598 /nfs/dbraw/zinc/03/15/98/972031598.db2.gz ZXOMMFCMDZFZKR-DEOSSOPVSA-N 1 1 407.606 3.825 20 30 HHEDMO C=CC[N@@H+](Cc1cc2ccccc2nc1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629580 1013181142 /nfs/dbraw/zinc/18/11/42/1013181142.db2.gz OZISFRLCDZVFEM-KRWDZBQOSA-N 1 1 400.486 3.968 20 30 HHEDMO C=CC[N@H+](Cc1cc2ccccc2nc1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629580 1013181147 /nfs/dbraw/zinc/18/11/47/1013181147.db2.gz OZISFRLCDZVFEM-KRWDZBQOSA-N 1 1 400.486 3.968 20 30 HHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C12CCCCC2 ZINC000303835615 972371861 /nfs/dbraw/zinc/37/18/61/972371861.db2.gz APIOEYNRVTWEOR-NHCUHLMSSA-N 1 1 421.545 3.742 20 30 HHEDMO C=CCc1cc(C[N@@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)cc(OC)c1O ZINC000537649844 1013210497 /nfs/dbraw/zinc/21/04/97/1013210497.db2.gz ISSCHJQIHFNWJG-KRWDZBQOSA-N 1 1 414.468 3.752 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000553253760 1013220674 /nfs/dbraw/zinc/22/06/74/1013220674.db2.gz YTFLPURPHQFIGF-FXAWDEMLSA-N 1 1 424.570 3.829 20 30 HHEDMO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000007459330 961200733 /nfs/dbraw/zinc/20/07/33/961200733.db2.gz YEFSPLYQAWGITH-UHFFFAOYSA-N 1 1 406.486 3.697 20 30 HHEDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000007459330 961200739 /nfs/dbraw/zinc/20/07/39/961200739.db2.gz YEFSPLYQAWGITH-UHFFFAOYSA-N 1 1 406.486 3.697 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537706154 1013271511 /nfs/dbraw/zinc/27/15/11/1013271511.db2.gz RBTHTLYHVRMXDC-OAHLLOKOSA-N 1 1 420.498 3.696 20 30 HHEDMO 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WZNILRKSVQTZFO-UHFFFAOYSA-N 1 1 424.545 3.804 20 30 HHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429004026 976283525 /nfs/dbraw/zinc/28/35/25/976283525.db2.gz QHVRNWRKPFYSLK-XMMPIXPASA-N 1 1 420.557 3.771 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429004963 976285425 /nfs/dbraw/zinc/28/54/25/976285425.db2.gz LUECHHJWJJKSHE-AJYBTWMASA-N 1 1 400.592 3.681 20 30 HHEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429035365 976318684 /nfs/dbraw/zinc/31/86/84/976318684.db2.gz LSMYAISLIKMBOF-XMMPIXPASA-N 1 1 420.557 3.769 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOC[C@@H](C3CCC3)C2)c1C#N ZINC000429244229 976533041 /nfs/dbraw/zinc/53/30/41/976533041.db2.gz FFBQXDQTJUAQBU-FQEVSTJZSA-N 1 1 424.545 3.695 20 30 HHEDMO COc1ccc(Br)c(C[N@H+](C)CCC(=O)Nc2sccc2C#N)c1 ZINC000429291028 976571309 /nfs/dbraw/zinc/57/13/09/976571309.db2.gz SMZAXEXQIJNNDM-UHFFFAOYSA-N 1 1 408.321 3.851 20 30 HHEDMO COc1ccc(Br)c(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)c1 ZINC000429291028 976571317 /nfs/dbraw/zinc/57/13/17/976571317.db2.gz SMZAXEXQIJNNDM-UHFFFAOYSA-N 1 1 408.321 3.851 20 30 HHEDMO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[N@@H+]1CCO ZINC000429351243 976615443 /nfs/dbraw/zinc/61/54/43/976615443.db2.gz DRVKJZIVTFVKRU-HNNXBMFYSA-N 1 1 414.893 3.534 20 30 HHEDMO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[N@H+]1CCO ZINC000429351243 976615452 /nfs/dbraw/zinc/61/54/52/976615452.db2.gz DRVKJZIVTFVKRU-HNNXBMFYSA-N 1 1 414.893 3.534 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)nc1 ZINC000430171330 977367113 /nfs/dbraw/zinc/36/71/13/977367113.db2.gz SRGLTXBCAFBGED-GOSISDBHSA-N 1 1 413.403 3.811 20 30 HHEDMO Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2)cs1 ZINC000430176369 977370786 /nfs/dbraw/zinc/37/07/86/977370786.db2.gz JRIJNAKREXNCFP-OAQYLSRUSA-N 1 1 406.511 3.951 20 30 HHEDMO Cn1cc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)Cc2ccc(Cl)cc2)cn1 ZINC000430277046 977442530 /nfs/dbraw/zinc/44/25/30/977442530.db2.gz YBUSLMKAQREIGK-UHFFFAOYSA-N 1 1 407.905 3.976 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431671081 978424932 /nfs/dbraw/zinc/42/49/32/978424932.db2.gz BQSPZOYOVYCEDJ-HYBUGGRVSA-N 1 1 420.557 3.769 20 30 HHEDMO Cc1c(C#N)cccc1NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000431727980 978463993 /nfs/dbraw/zinc/46/39/93/978463993.db2.gz WALGTKBASZXIOU-UHFFFAOYSA-N 1 1 403.486 3.798 20 30 HHEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431977751 978627618 /nfs/dbraw/zinc/62/76/18/978627618.db2.gz PMQZUIYWWJYXTJ-XUZZJYLKSA-N 1 1 419.573 3.931 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000432620878 978913568 /nfs/dbraw/zinc/91/35/68/978913568.db2.gz VFBGTIWKZZMDML-XMMPIXPASA-N 1 1 402.542 3.969 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000433169272 979113140 /nfs/dbraw/zinc/11/31/40/979113140.db2.gz WHDORXGMHAZVMK-KRWDZBQOSA-N 1 1 412.559 3.975 20 30 HHEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433366818 979257921 /nfs/dbraw/zinc/25/79/21/979257921.db2.gz OVDLVKQIXGJNNZ-GOTSBHOMSA-N 1 1 405.542 3.978 20 30 HHEDMO Cc1ccccc1Cc1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000434834721 980431886 /nfs/dbraw/zinc/43/18/86/980431886.db2.gz UIWRVGHTZQJKAC-UHFFFAOYSA-N 1 1 401.514 3.548 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866872 980457577 /nfs/dbraw/zinc/45/75/77/980457577.db2.gz FAYZTZDBKUJYJK-SVMVAKDDSA-N 1 1 422.598 3.993 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCSC(C)(C)C2)c1C#N ZINC000434902699 980481659 /nfs/dbraw/zinc/48/16/59/980481659.db2.gz FEIWEUBMKBSOIW-UHFFFAOYSA-N 1 1 400.548 3.774 20 30 HHEDMO CC(C)C[N@@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000434927069 980502313 /nfs/dbraw/zinc/50/23/13/980502313.db2.gz NXBFZORLZDOLQO-UHFFFAOYSA-N 1 1 406.555 3.985 20 30 HHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000434979336 980546038 /nfs/dbraw/zinc/54/60/38/980546038.db2.gz SHDGMIXWAQSTQW-VQTJNVASSA-N 1 1 409.534 3.598 20 30 HHEDMO CCc1ccc([C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CCO2)cc1 ZINC000434988525 980552847 /nfs/dbraw/zinc/55/28/47/980552847.db2.gz TVGLVNAYMVPBEJ-QHCPKHFHSA-N 1 1 401.514 3.995 20 30 HHEDMO CCc1ccc([C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CCO2)cc1 ZINC000434988525 980552850 /nfs/dbraw/zinc/55/28/50/980552850.db2.gz TVGLVNAYMVPBEJ-QHCPKHFHSA-N 1 1 401.514 3.995 20 30 HHEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000434998585 980558767 /nfs/dbraw/zinc/55/87/67/980558767.db2.gz BTCGAORLZJODFZ-YADHBBJMSA-N 1 1 419.573 3.522 20 30 HHEDMO N#CCCn1cc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c(-c2ccncc2)n1 ZINC000435124833 980656695 /nfs/dbraw/zinc/65/66/95/980656695.db2.gz AUQSPZRLCMGOQI-HSZRJFAPSA-N 1 1 401.514 3.692 20 30 HHEDMO C[N@H+](Cc1ccc(Br)o1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435133207 980664727 /nfs/dbraw/zinc/66/47/27/980664727.db2.gz PWNJHYKSXGXMSJ-UHFFFAOYSA-N 1 1 400.280 3.846 20 30 HHEDMO C[N@@H+](Cc1ccc(Br)o1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435133207 980664731 /nfs/dbraw/zinc/66/47/31/980664731.db2.gz PWNJHYKSXGXMSJ-UHFFFAOYSA-N 1 1 400.280 3.846 20 30 HHEDMO CCN(CC)C(=O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000435415611 980850170 /nfs/dbraw/zinc/85/01/70/980850170.db2.gz CHOOHOWJOPKXCQ-HXUWFJFHSA-N 1 1 412.578 3.519 20 30 HHEDMO Cc1c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1 ZINC000435544684 980932861 /nfs/dbraw/zinc/93/28/61/980932861.db2.gz FXEAIIFUYDIUFL-UHFFFAOYSA-N 1 1 414.513 3.792 20 30 HHEDMO Cc1c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1 ZINC000435544684 980932864 /nfs/dbraw/zinc/93/28/64/980932864.db2.gz FXEAIIFUYDIUFL-UHFFFAOYSA-N 1 1 414.513 3.792 20 30 HHEDMO CC(C)n1cc(C#N)c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000435826937 981048385 /nfs/dbraw/zinc/04/83/85/981048385.db2.gz NXNWIOICXGZYIN-UHFFFAOYSA-N 1 1 404.518 3.696 20 30 HHEDMO Cc1cccc2nc(C3CC[NH+]([C@H]4CC(=O)N(c5ccc(C#N)cc5)C4=O)CC3)oc21 ZINC000435921728 981093610 /nfs/dbraw/zinc/09/36/10/981093610.db2.gz GLPHOEWWNVPVQY-FQEVSTJZSA-N 1 1 414.465 3.519 20 30 HHEDMO Cc1oc(C#N)cc1C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000436207853 981249886 /nfs/dbraw/zinc/24/98/86/981249886.db2.gz HPEOCLAPQBNKGO-KRWDZBQOSA-N 1 1 405.420 3.986 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@H](CO)c2ccccc2)c1C#N ZINC000436250754 981269424 /nfs/dbraw/zinc/26/94/24/981269424.db2.gz GRRLZIDGYRAUJP-JOCHJYFZSA-N 1 1 420.513 3.612 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436376653 981335902 /nfs/dbraw/zinc/33/59/02/981335902.db2.gz CMZNHQAAPZACEK-IBGZPJMESA-N 1 1 400.523 3.502 20 30 HHEDMO C=CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000436386777 981341190 /nfs/dbraw/zinc/34/11/90/981341190.db2.gz JFWUDKKGZFTBID-HNNXBMFYSA-N 1 1 412.444 3.518 20 30 HHEDMO C=C(C)COc1cc(CNc2ccccc2C[NH+]2CCN(C(C)=O)CC2)ccc1OC ZINC000436410570 981353911 /nfs/dbraw/zinc/35/39/11/981353911.db2.gz KECUHZZQFCRVJG-UHFFFAOYSA-N 1 1 423.557 3.926 20 30 HHEDMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000448231940 981643255 /nfs/dbraw/zinc/64/32/55/981643255.db2.gz VRGULARQJNMOKG-UHFFFAOYSA-N 1 1 420.542 3.826 20 30 HHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2C1 ZINC000437010673 981685630 /nfs/dbraw/zinc/68/56/30/981685630.db2.gz RBLGOTLXJVHKRK-NZQKXSOJSA-N 1 1 416.525 3.649 20 30 HHEDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2C1 ZINC000437010673 981685632 /nfs/dbraw/zinc/68/56/32/981685632.db2.gz RBLGOTLXJVHKRK-NZQKXSOJSA-N 1 1 416.525 3.649 20 30 HHEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000448321139 981698090 /nfs/dbraw/zinc/69/80/90/981698090.db2.gz LOKWGRLDEPVXQZ-NRFANRHFSA-N 1 1 420.513 3.526 20 30 HHEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000448386061 981742860 /nfs/dbraw/zinc/74/28/60/981742860.db2.gz ICKSRCDUTMVWRD-HNNXBMFYSA-N 1 1 412.456 3.989 20 30 HHEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000448466329 981802134 /nfs/dbraw/zinc/80/21/34/981802134.db2.gz MITQZJSEAZAZIT-JSRJAPPDSA-N 1 1 412.578 3.915 20 30 HHEDMO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000448519356 981846509 /nfs/dbraw/zinc/84/65/09/981846509.db2.gz DGRGOURJSRGNQV-NFXUCOAQSA-N 1 1 422.573 3.907 20 30 HHEDMO CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460165481 981937748 /nfs/dbraw/zinc/93/77/48/981937748.db2.gz FIPZHPBAXSGXLN-UHFFFAOYSA-N 1 1 418.520 3.612 20 30 HHEDMO CCCN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437350548 982001340 /nfs/dbraw/zinc/00/13/40/982001340.db2.gz XHXBTXLDQRORSC-FQEVSTJZSA-N 1 1 422.504 3.539 20 30 HHEDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000437393047 982037977 /nfs/dbraw/zinc/03/79/77/982037977.db2.gz XRGXRUUSMOQMJO-UHFFFAOYSA-N 1 1 416.485 3.870 20 30 HHEDMO N#Cc1ccc(OCCNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000460265565 982042186 /nfs/dbraw/zinc/04/21/86/982042186.db2.gz LJJNDKLKHOHJMW-OAQYLSRUSA-N 1 1 417.431 3.508 20 30 HHEDMO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460287379 982063078 /nfs/dbraw/zinc/06/30/78/982063078.db2.gz GFQSDLYFUBNLKI-QFIPXVFZSA-N 1 1 400.530 3.937 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460377749 982155616 /nfs/dbraw/zinc/15/56/16/982155616.db2.gz ZGDUVUBDPWFLOW-PSWAGMNNSA-N 1 1 424.552 3.961 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@@H+](CCc2ccccc2)[C@H]2CCOC2)sc2c1CCC2 ZINC000437533810 982161350 /nfs/dbraw/zinc/16/13/50/982161350.db2.gz FXZJCKWLAUZYAU-SFHVURJKSA-N 1 1 409.555 3.771 20 30 HHEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000437676292 982290182 /nfs/dbraw/zinc/29/01/82/982290182.db2.gz AFUYUCCKNJYZBK-UHFFFAOYSA-N 1 1 404.558 3.576 20 30 HHEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460545550 982331897 /nfs/dbraw/zinc/33/18/97/982331897.db2.gz AGLZMRIMQUWVPU-CEMLEFRQSA-N 1 1 409.578 3.847 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460551027 982337659 /nfs/dbraw/zinc/33/76/59/982337659.db2.gz LMXUNHPZXBHQDL-RTBURBONSA-N 1 1 413.566 3.608 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460555285 982341605 /nfs/dbraw/zinc/34/16/05/982341605.db2.gz SWAOYJDGUKBFQL-MRXNPFEDSA-N 1 1 401.580 3.581 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460559947 982345706 /nfs/dbraw/zinc/34/57/06/982345706.db2.gz NKVODHLUTYRKOP-LJQANCHMSA-N 1 1 411.550 3.505 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000437844639 982401339 /nfs/dbraw/zinc/40/13/39/982401339.db2.gz OTGRMILRQATFDF-UGKGYDQZSA-N 1 1 424.545 3.586 20 30 HHEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437882590 982433225 /nfs/dbraw/zinc/43/32/25/982433225.db2.gz QXSHVJBCFQEQCE-OAHLLOKOSA-N 1 1 419.394 3.782 20 30 HHEDMO CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000437903934 982452795 /nfs/dbraw/zinc/45/27/95/982452795.db2.gz WOCUCIHCBKJUBE-BJKOFHAPSA-N 1 1 418.541 3.730 20 30 HHEDMO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460782530 982535011 /nfs/dbraw/zinc/53/50/11/982535011.db2.gz JHQZEMVNJSSZCW-PKOBYXMFSA-N 1 1 411.550 3.601 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460796177 982549248 /nfs/dbraw/zinc/54/92/48/982549248.db2.gz FNDIADONOOKYHS-RXVVDRJESA-N 1 1 413.566 3.608 20 30 HHEDMO N#Cc1cccc(Oc2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2)c1 ZINC000438050049 982552142 /nfs/dbraw/zinc/55/21/42/982552142.db2.gz MKMFPVCXKSYIDC-HXUWFJFHSA-N 1 1 408.502 3.709 20 30 HHEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460800408 982552718 /nfs/dbraw/zinc/55/27/18/982552718.db2.gz DOKOYJLOKGEFIG-BHIFYINESA-N 1 1 407.562 3.772 20 30 HHEDMO C=CC[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000438096882 982585611 /nfs/dbraw/zinc/58/56/11/982585611.db2.gz MIVZBUSTXWRULH-SFHVURJKSA-N 1 1 417.492 3.795 20 30 HHEDMO C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000460938443 982676584 /nfs/dbraw/zinc/67/65/84/982676584.db2.gz QNCQIFWWIWSYNC-KRWDZBQOSA-N 1 1 401.580 3.581 20 30 HHEDMO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460948642 982683567 /nfs/dbraw/zinc/68/35/67/982683567.db2.gz JTCZIRSVVHUFLL-IBGZPJMESA-N 1 1 403.534 3.584 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000460952002 982685574 /nfs/dbraw/zinc/68/55/74/982685574.db2.gz NLVNOUHWPDNPPH-RBUKOAKNSA-N 1 1 413.566 3.751 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460952000 982685658 /nfs/dbraw/zinc/68/56/58/982685658.db2.gz NLVNOUHWPDNPPH-MOPGFXCFSA-N 1 1 413.566 3.751 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460956271 982689369 /nfs/dbraw/zinc/68/93/69/982689369.db2.gz FEJSLZFUWHCCBY-ZWKOTPCHSA-N 1 1 413.566 3.847 20 30 HHEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460958206 982690403 /nfs/dbraw/zinc/69/04/03/982690403.db2.gz HQDIPENLJYQGEG-UHFFFAOYSA-N 1 1 417.561 3.757 20 30 HHEDMO C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460963249 982693711 /nfs/dbraw/zinc/69/37/11/982693711.db2.gz YDCJFGYMOXYIMC-MRXNPFEDSA-N 1 1 416.367 3.957 20 30 HHEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000438348512 982737075 /nfs/dbraw/zinc/73/70/75/982737075.db2.gz SFTNGAOPCQYHGX-UHFFFAOYSA-N 1 1 416.529 3.761 20 30 HHEDMO C=CCOc1ccc(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461217310 982929225 /nfs/dbraw/zinc/92/92/25/982929225.db2.gz HGXUXCIUARIUNC-PKTZIBPZSA-N 1 1 405.542 3.915 20 30 HHEDMO N#Cc1ccc(C[N@H+](CCc2nnnn2-c2ccccc2)Cc2cccc(F)c2)cc1 ZINC000438726838 983027803 /nfs/dbraw/zinc/02/78/03/983027803.db2.gz ABKUMEKXVWEYQZ-UHFFFAOYSA-N 1 1 412.472 3.918 20 30 HHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)o2)cc1 ZINC000438776912 983064838 /nfs/dbraw/zinc/06/48/38/983064838.db2.gz AQJPBJAVEOFACT-INIZCTEOSA-N 1 1 422.876 3.507 20 30 HHEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)o2)cc1 ZINC000438776912 983064846 /nfs/dbraw/zinc/06/48/46/983064846.db2.gz AQJPBJAVEOFACT-INIZCTEOSA-N 1 1 422.876 3.507 20 30 HHEDMO N#CCC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000438832955 983102897 /nfs/dbraw/zinc/10/28/97/983102897.db2.gz DFRJIOGOMSSKBA-HSZRJFAPSA-N 1 1 401.514 3.821 20 30 HHEDMO CN1CC[N@@H+](CCCNC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000438836029 983104996 /nfs/dbraw/zinc/10/49/96/983104996.db2.gz DRHUHHSERAPGBY-ZEQRLZLVSA-N 1 1 419.573 3.709 20 30 HHEDMO C[N@@H+]1CCN(CCCNC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000438836029 983105006 /nfs/dbraw/zinc/10/50/06/983105006.db2.gz DRHUHHSERAPGBY-ZEQRLZLVSA-N 1 1 419.573 3.709 20 30 HHEDMO C[N@H+]1CCN(CCCNC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000438836029 983105020 /nfs/dbraw/zinc/10/50/20/983105020.db2.gz DRHUHHSERAPGBY-ZEQRLZLVSA-N 1 1 419.573 3.709 20 30 HHEDMO N#Cc1ccc(CSCC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461441995 983106890 /nfs/dbraw/zinc/10/68/90/983106890.db2.gz CXUSPUYUUWVLFS-GOTSBHOMSA-N 1 1 405.567 3.772 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cccc(C#N)c1 ZINC000438858440 983124457 /nfs/dbraw/zinc/12/44/57/983124457.db2.gz OFORLWDKZNDVNT-JPYJTQIMSA-N 1 1 405.546 3.704 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cccc(C#N)c1 ZINC000438858440 983124460 /nfs/dbraw/zinc/12/44/60/983124460.db2.gz OFORLWDKZNDVNT-JPYJTQIMSA-N 1 1 405.546 3.704 20 30 HHEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461458770 983125783 /nfs/dbraw/zinc/12/57/83/983125783.db2.gz UYCVUKLOYIVVTJ-VXKWHMMOSA-N 1 1 403.526 3.696 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@@H](OCc3ccncc3)C1)CCCCC2 ZINC000439000364 983202786 /nfs/dbraw/zinc/20/27/86/983202786.db2.gz AEFWCMFYQFKWJX-GOSISDBHSA-N 1 1 424.570 3.903 20 30 HHEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000439328171 983367426 /nfs/dbraw/zinc/36/74/26/983367426.db2.gz WXRWTRWXZKMQJA-CEMLEFRQSA-N 1 1 422.598 3.725 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000439367271 983381253 /nfs/dbraw/zinc/38/12/53/983381253.db2.gz WDMVVMRXRKGOPD-SFHVURJKSA-N 1 1 423.513 3.612 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1 ZINC000439368717 983381962 /nfs/dbraw/zinc/38/19/62/983381962.db2.gz HXVLIDCXMXIVOP-UHFFFAOYSA-N 1 1 407.514 3.855 20 30 HHEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3Cl)C2)cc1 ZINC000439447091 983413655 /nfs/dbraw/zinc/41/36/55/983413655.db2.gz FMGRTVMIISGCPJ-GOSISDBHSA-N 1 1 417.962 3.711 20 30 HHEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)cc1 ZINC000439447091 983413661 /nfs/dbraw/zinc/41/36/61/983413661.db2.gz FMGRTVMIISGCPJ-GOSISDBHSA-N 1 1 417.962 3.711 20 30 HHEDMO C[C@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)C(=O)NC1(C#N)CCCCC1 ZINC000439598794 983465955 /nfs/dbraw/zinc/46/59/55/983465955.db2.gz SXXLGHHVNHRXAG-IBGZPJMESA-N 1 1 408.546 3.732 20 30 HHEDMO CCCc1c(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439669257 983493322 /nfs/dbraw/zinc/49/33/22/983493322.db2.gz WJAUOMUDNWAIIO-ROUUACIJSA-N 1 1 408.550 3.938 20 30 HHEDMO N#Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1Oc1ccccc1 ZINC000439687866 983502110 /nfs/dbraw/zinc/50/21/10/983502110.db2.gz ZJORZDGDTFDGRN-SFHVURJKSA-N 1 1 406.486 3.537 20 30 HHEDMO C[NH+](C)Cc1cc(NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1Cl ZINC000439864961 983560908 /nfs/dbraw/zinc/56/09/08/983560908.db2.gz VPCAXCOYBWRESG-UHFFFAOYSA-N 1 1 422.916 3.528 20 30 HHEDMO COc1cc(NC2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)cc(OC)c1 ZINC000440551552 983793726 /nfs/dbraw/zinc/79/37/26/983793726.db2.gz UZTVASQOESLKCX-UHFFFAOYSA-N 1 1 422.529 3.527 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1 ZINC000440917033 983972441 /nfs/dbraw/zinc/97/24/41/983972441.db2.gz ZBONCZXASOMIJG-FQEVSTJZSA-N 1 1 416.481 3.527 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000441002642 984018475 /nfs/dbraw/zinc/01/84/75/984018475.db2.gz SJLCUCLTFHXBCB-RQMSSXIXSA-N 1 1 411.594 3.962 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000441002642 984018479 /nfs/dbraw/zinc/01/84/79/984018479.db2.gz SJLCUCLTFHXBCB-RQMSSXIXSA-N 1 1 411.594 3.962 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000441354340 984203654 /nfs/dbraw/zinc/20/36/54/984203654.db2.gz MXMIBPCMFCCRLA-CTNGQTDRSA-N 1 1 409.505 4.000 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1 ZINC000441684400 984394146 /nfs/dbraw/zinc/39/41/46/984394146.db2.gz GRTGXFIORZGGIU-CYBMUJFWSA-N 1 1 407.861 3.522 20 30 HHEDMO N#Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OC(F)(F)F ZINC000442209691 984728839 /nfs/dbraw/zinc/72/88/39/984728839.db2.gz SMXUOIHGFKJUBK-GUYCJALGSA-N 1 1 408.424 3.937 20 30 HHEDMO N#Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1OC(F)(F)F ZINC000442209687 984728937 /nfs/dbraw/zinc/72/89/37/984728937.db2.gz SMXUOIHGFKJUBK-CXAGYDPISA-N 1 1 408.424 3.937 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)[C@@H](C)C1 ZINC000461727574 984742534 /nfs/dbraw/zinc/74/25/34/984742534.db2.gz GBAIIUCJXVLSMC-BWAGFHJFSA-N 1 1 422.577 3.552 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C[C@H]1C ZINC000461849999 984861859 /nfs/dbraw/zinc/86/18/59/984861859.db2.gz KCQMAXZHCYPWJJ-BVYCBKJFSA-N 1 1 422.577 3.695 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000462185983 985167869 /nfs/dbraw/zinc/16/78/69/985167869.db2.gz IXAVBWWFQUSGOJ-GCJKJVERSA-N 1 1 415.493 3.981 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000462185982 985168050 /nfs/dbraw/zinc/16/80/50/985168050.db2.gz IXAVBWWFQUSGOJ-AVRDEDQJSA-N 1 1 415.493 3.981 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462230928 985212097 /nfs/dbraw/zinc/21/20/97/985212097.db2.gz DRUYZADVHBEROE-OAHLLOKOSA-N 1 1 400.548 3.791 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000462271152 985261082 /nfs/dbraw/zinc/26/10/82/985261082.db2.gz WENVBYAQDLLDLL-UHFFFAOYSA-N 1 1 409.490 3.796 20 30 HHEDMO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000462328968 985319029 /nfs/dbraw/zinc/31/90/29/985319029.db2.gz USUWBNQXJXLEJH-UHFFFAOYSA-N 1 1 409.511 3.570 20 30 HHEDMO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000462328968 985319036 /nfs/dbraw/zinc/31/90/36/985319036.db2.gz USUWBNQXJXLEJH-UHFFFAOYSA-N 1 1 409.511 3.570 20 30 HHEDMO COCC[N@@H+](C)CC[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000462826687 985749580 /nfs/dbraw/zinc/74/95/80/985749580.db2.gz ROCXSAWVFYPBBW-OAQYLSRUSA-N 1 1 419.485 4.136 20 30 HHEDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462900566 985828700 /nfs/dbraw/zinc/82/87/00/985828700.db2.gz NVAMGYJFMMUQBT-QFIPXVFZSA-N 1 1 420.513 3.770 20 30 HHEDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462900566 985828716 /nfs/dbraw/zinc/82/87/16/985828716.db2.gz NVAMGYJFMMUQBT-QFIPXVFZSA-N 1 1 420.513 3.770 20 30 HHEDMO C=CCCCNC(=O)CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000468366363 986064907 /nfs/dbraw/zinc/06/49/07/986064907.db2.gz GEJDIVGWNVGPCE-UHFFFAOYSA-N 1 1 417.553 3.763 20 30 HHEDMO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)ccc1C#N ZINC000443909669 986108024 /nfs/dbraw/zinc/10/80/24/986108024.db2.gz RPPDZZPJEWMASE-UHFFFAOYSA-N 1 1 409.511 3.570 20 30 HHEDMO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)ccc1C#N ZINC000443909669 986108034 /nfs/dbraw/zinc/10/80/34/986108034.db2.gz RPPDZZPJEWMASE-UHFFFAOYSA-N 1 1 409.511 3.570 20 30 HHEDMO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1C#N ZINC000443910229 986109199 /nfs/dbraw/zinc/10/91/99/986109199.db2.gz URAXZGFBDZICGE-QHCPKHFHSA-N 1 1 409.555 3.544 20 30 HHEDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000443943536 986151313 /nfs/dbraw/zinc/15/13/13/986151313.db2.gz BZJBTOWJGYUOLB-UHFFFAOYSA-N 1 1 407.474 3.823 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000463203107 986174598 /nfs/dbraw/zinc/17/45/98/986174598.db2.gz JKADYILHQIIMJX-ZRBLBEILSA-N 1 1 413.562 3.738 20 30 HHEDMO COc1cccc(-c2noc([C@@H](C)[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)n2)c1 ZINC000463208617 986180020 /nfs/dbraw/zinc/18/00/20/986180020.db2.gz XZZNZQRMCSOWFT-QGZVFWFLSA-N 1 1 417.513 3.932 20 30 HHEDMO N#Cc1ccccc1COc1cccc(CNc2[nH+]cccc2N2CCOCC2)c1 ZINC000463249236 986217639 /nfs/dbraw/zinc/21/76/39/986217639.db2.gz DGFLQMBRPSEKIB-UHFFFAOYSA-N 1 1 400.482 3.981 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000463275209 986242285 /nfs/dbraw/zinc/24/22/85/986242285.db2.gz URPXEEWVFSIVIF-PGRDOPGGSA-N 1 1 408.502 3.813 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@](CO)(c4ccccc4)C3)sc2C1 ZINC000463429434 986400161 /nfs/dbraw/zinc/40/01/61/986400161.db2.gz JLJJDGGSAMKOBW-MZNJEOGPSA-N 1 1 423.582 3.709 20 30 HHEDMO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000468762168 986475655 /nfs/dbraw/zinc/47/56/55/986475655.db2.gz ANJFDTUBZDACHW-NHYWBVRUSA-N 1 1 420.332 3.847 20 30 HHEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1 ZINC000469015458 986722448 /nfs/dbraw/zinc/72/24/48/986722448.db2.gz PZEUNTDTSUNNCW-SFHVURJKSA-N 1 1 407.514 3.657 20 30 HHEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1 ZINC000469015458 986722456 /nfs/dbraw/zinc/72/24/56/986722456.db2.gz PZEUNTDTSUNNCW-SFHVURJKSA-N 1 1 407.514 3.657 20 30 HHEDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444602188 986788665 /nfs/dbraw/zinc/78/86/65/986788665.db2.gz YWBLASSOLYLONT-VXKWHMMOSA-N 1 1 419.569 3.749 20 30 HHEDMO C[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000444688532 986866454 /nfs/dbraw/zinc/86/64/54/986866454.db2.gz ZOIGLELKYYFIGP-HSZRJFAPSA-N 1 1 416.613 3.987 20 30 HHEDMO C[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@H+]1C1CCN(C)CC1 ZINC000444688532 986866467 /nfs/dbraw/zinc/86/64/67/986866467.db2.gz ZOIGLELKYYFIGP-HSZRJFAPSA-N 1 1 416.613 3.987 20 30 HHEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000444754953 986917177 /nfs/dbraw/zinc/91/71/77/986917177.db2.gz VFTYGNRIJQYVAH-MOPGFXCFSA-N 1 1 412.578 3.724 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469224062 986946617 /nfs/dbraw/zinc/94/66/17/986946617.db2.gz ZCGWUIKYBUBAMQ-LAUBAEHRSA-N 1 1 400.482 3.854 20 30 HHEDMO C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[N@H+]1CC(C)(C)O ZINC000444831502 986988883 /nfs/dbraw/zinc/98/88/83/986988883.db2.gz ZQIJLGJIMPYECD-KRWDZBQOSA-N 1 1 408.502 3.659 20 30 HHEDMO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)C1=O ZINC000469457825 987143098 /nfs/dbraw/zinc/14/30/98/987143098.db2.gz WSNBFFDJLPKUAO-IBGZPJMESA-N 1 1 401.482 3.958 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000469722792 987374838 /nfs/dbraw/zinc/37/48/38/987374838.db2.gz HJWFUWVRNYEETJ-MRXNPFEDSA-N 1 1 422.495 3.553 20 30 HHEDMO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000469869724 987507918 /nfs/dbraw/zinc/50/79/18/987507918.db2.gz FUPLILRWCYCNFJ-XMMPIXPASA-N 1 1 421.541 3.515 20 30 HHEDMO C=CCOc1ccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000469870099 987508693 /nfs/dbraw/zinc/50/86/93/987508693.db2.gz HXUAHYPQGVZWIW-FQEVSTJZSA-N 1 1 412.555 3.607 20 30 HHEDMO C=CCOc1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1OC ZINC000469870099 987508697 /nfs/dbraw/zinc/50/86/97/987508697.db2.gz HXUAHYPQGVZWIW-FQEVSTJZSA-N 1 1 412.555 3.607 20 30 HHEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000470216315 988142288 /nfs/dbraw/zinc/14/22/88/988142288.db2.gz RBYAOWOHXXJXGS-OAQYLSRUSA-N 1 1 403.526 3.941 20 30 HHEDMO C=C(C)C[N@@H+](CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)Cc1ccccc1 ZINC000470921003 988994871 /nfs/dbraw/zinc/99/48/71/988994871.db2.gz APAZMFKQJGQNRH-NRFANRHFSA-N 1 1 411.590 3.562 20 30 HHEDMO C=C(C)C[N@H+](CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)Cc1ccccc1 ZINC000470921003 988994881 /nfs/dbraw/zinc/99/48/81/988994881.db2.gz APAZMFKQJGQNRH-NRFANRHFSA-N 1 1 411.590 3.562 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000464815100 989051283 /nfs/dbraw/zinc/05/12/83/989051283.db2.gz SCOXKAVCTIBIOZ-CEWLAPEOSA-N 1 1 415.331 3.961 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000464815100 989051295 /nfs/dbraw/zinc/05/12/95/989051295.db2.gz SCOXKAVCTIBIOZ-CEWLAPEOSA-N 1 1 415.331 3.961 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000464825037 989063886 /nfs/dbraw/zinc/06/38/86/989063886.db2.gz WJJNVSBKAFDTBX-RTBURBONSA-N 1 1 406.442 3.665 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000464825037 989063892 /nfs/dbraw/zinc/06/38/92/989063892.db2.gz WJJNVSBKAFDTBX-RTBURBONSA-N 1 1 406.442 3.665 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843022 989090412 /nfs/dbraw/zinc/09/04/12/989090412.db2.gz ORVVJEUXIADMOQ-RBBKRZOGSA-N 1 1 422.548 3.915 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1C#N ZINC000464858502 989112787 /nfs/dbraw/zinc/11/27/87/989112787.db2.gz WXUJETLJPNNOQU-DYESRHJHSA-N 1 1 410.493 3.544 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464901795 989173485 /nfs/dbraw/zinc/17/34/85/989173485.db2.gz PYTZXUFSBRSYOF-FQEVSTJZSA-N 1 1 421.541 3.849 20 30 HHEDMO N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000471287803 989444469 /nfs/dbraw/zinc/44/44/69/989444469.db2.gz PGELSKIKYMOCGZ-OAQYLSRUSA-N 1 1 415.493 3.982 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465182810 989517623 /nfs/dbraw/zinc/51/76/23/989517623.db2.gz HQDLZXHXGHGGAO-GOSISDBHSA-N 1 1 423.561 3.706 20 30 HHEDMO N#Cc1ccc(Oc2ccc(C(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2)nc1 ZINC000471381918 989560696 /nfs/dbraw/zinc/56/06/96/989560696.db2.gz YHDQEONQLHMNOH-ZRZAMGCNSA-N 1 1 424.504 3.950 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471747989 989943463 /nfs/dbraw/zinc/94/34/63/989943463.db2.gz GVVDPLICGQGHBM-DVECYGJZSA-N 1 1 400.526 3.789 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471747990 989943511 /nfs/dbraw/zinc/94/35/11/989943511.db2.gz GVVDPLICGQGHBM-NTKDMRAZSA-N 1 1 400.526 3.789 20 30 HHEDMO C[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000465683174 990067700 /nfs/dbraw/zinc/06/77/00/990067700.db2.gz DQHADJBEOAVKBJ-FOVJLYNBSA-N 1 1 402.542 3.915 20 30 HHEDMO CN(C)[C@@H](CNc1nc(NC[C@@H](c2ccco2)[NH+](C)C)ccc1C#N)c1ccco1 ZINC000472040799 990211163 /nfs/dbraw/zinc/21/11/63/990211163.db2.gz AETYTWVUMVEWMR-ROUUACIJSA-N 1 1 408.506 3.569 20 30 HHEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000465965525 991112632 /nfs/dbraw/zinc/11/26/32/991112632.db2.gz DXZJEGDFIGEKGY-OAQYLSRUSA-N 1 1 419.573 3.689 20 30 HHEDMO COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466042179 991212329 /nfs/dbraw/zinc/21/23/29/991212329.db2.gz KDOJBIHIFJROPP-UKILVPOCSA-N 1 1 418.541 3.514 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H]1c1cccs1 ZINC000466072582 991246068 /nfs/dbraw/zinc/24/60/68/991246068.db2.gz BRHUPRCCBVSNKM-SIKLNZKXSA-N 1 1 423.586 3.534 20 30 HHEDMO C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000466432622 991721408 /nfs/dbraw/zinc/72/14/08/991721408.db2.gz YDCFSKJVXGDUIN-QGZVFWFLSA-N 1 1 412.484 3.857 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000467756107 993001217 /nfs/dbraw/zinc/00/12/17/993001217.db2.gz CSACTPMSNBANPB-MAUKXSAKSA-N 1 1 406.555 3.945 20 30 HHEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000467767610 993009393 /nfs/dbraw/zinc/00/93/93/993009393.db2.gz GACJPIDAGDSSCK-HSZRJFAPSA-N 1 1 424.497 3.989 20 30 HHEDMO CO[C@@H](C)C[N@@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C(C)C ZINC000472246478 993273454 /nfs/dbraw/zinc/27/34/54/993273454.db2.gz ZPYZHJRCUSBLMA-INIZCTEOSA-N 1 1 400.523 3.692 20 30 HHEDMO CC[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000472403218 993396817 /nfs/dbraw/zinc/39/68/17/993396817.db2.gz AVJJHWPPHJJGJA-FGZHOGPDSA-N 1 1 409.555 3.712 20 30 HHEDMO CC[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000472403218 993396821 /nfs/dbraw/zinc/39/68/21/993396821.db2.gz AVJJHWPPHJJGJA-FGZHOGPDSA-N 1 1 409.555 3.712 20 30 HHEDMO N#CCCn1cc(C(=O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c2ccccc21 ZINC000472434850 993435906 /nfs/dbraw/zinc/43/59/06/993435906.db2.gz DHGXZMDNDQADBF-UHFFFAOYSA-N 1 1 400.482 3.501 20 30 HHEDMO N#CCCn1cc(C(=O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c2ccccc21 ZINC000472434850 993435914 /nfs/dbraw/zinc/43/59/14/993435914.db2.gz DHGXZMDNDQADBF-UHFFFAOYSA-N 1 1 400.482 3.501 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472459637 993461563 /nfs/dbraw/zinc/46/15/63/993461563.db2.gz OIYPONPNOSPWBY-HKUYNNGSSA-N 1 1 400.592 3.683 20 30 HHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000472492239 993494099 /nfs/dbraw/zinc/49/40/99/993494099.db2.gz BPJHUOHMYSMATG-WTIAFYNJSA-N 1 1 422.479 3.859 20 30 HHEDMO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000472492239 993494104 /nfs/dbraw/zinc/49/41/04/993494104.db2.gz BPJHUOHMYSMATG-WTIAFYNJSA-N 1 1 422.479 3.859 20 30 HHEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000480727397 993594841 /nfs/dbraw/zinc/59/48/41/993594841.db2.gz JSFCRPKRPKOVLN-LPHOPBHVSA-N 1 1 401.919 3.517 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c(Br)c1 ZINC000480735370 993601776 /nfs/dbraw/zinc/60/17/76/993601776.db2.gz QHDOKIYQMRFLLV-UHFFFAOYSA-N 1 1 404.333 3.777 20 30 HHEDMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481029129 993873488 /nfs/dbraw/zinc/87/34/88/993873488.db2.gz WWGVNTCFFCCMDB-LAUBAEHRSA-N 1 1 415.534 3.685 20 30 HHEDMO C[C@@H](CCNC(=O)N1CCCN(c2ccccc2C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473022250 993941631 /nfs/dbraw/zinc/94/16/31/993941631.db2.gz LSHGAMRVQVURRC-NRFANRHFSA-N 1 1 419.573 3.691 20 30 HHEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481167707 993998381 /nfs/dbraw/zinc/99/83/81/993998381.db2.gz LWLSINLAXLOUFE-WWMYMODYSA-N 1 1 422.598 3.936 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481167707 993998389 /nfs/dbraw/zinc/99/83/89/993998389.db2.gz LWLSINLAXLOUFE-WWMYMODYSA-N 1 1 422.598 3.936 20 30 HHEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182128 994012062 /nfs/dbraw/zinc/01/20/62/994012062.db2.gz OXIPMWNHVFFACA-TWFYYEESSA-N 1 1 410.606 3.806 20 30 HHEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182128 994012069 /nfs/dbraw/zinc/01/20/69/994012069.db2.gz OXIPMWNHVFFACA-TWFYYEESSA-N 1 1 410.606 3.806 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1 ZINC000473178854 994044845 /nfs/dbraw/zinc/04/48/45/994044845.db2.gz RYAWXWQFLFDATO-UHFFFAOYSA-N 1 1 419.529 3.744 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000481277184 994093533 /nfs/dbraw/zinc/09/35/33/994093533.db2.gz CYSKXLVURJMFCR-PZJWPPBQSA-N 1 1 419.550 3.694 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000481277184 994093541 /nfs/dbraw/zinc/09/35/41/994093541.db2.gz CYSKXLVURJMFCR-PZJWPPBQSA-N 1 1 419.550 3.694 20 30 HHEDMO N#Cc1ccc(OC2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)CC2)cc1 ZINC000473440262 994290144 /nfs/dbraw/zinc/29/01/44/994290144.db2.gz IXOWYNXIVMOIMQ-UHFFFAOYSA-N 1 1 423.423 3.760 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473445096 994293112 /nfs/dbraw/zinc/29/31/12/994293112.db2.gz WNPYYXUVSQCCIX-OAHLLOKOSA-N 1 1 415.896 3.747 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1C#N ZINC000481547759 994379512 /nfs/dbraw/zinc/37/95/12/994379512.db2.gz XCTHNNHZRGFNQM-NQIIRXRSSA-N 1 1 400.567 3.903 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCCc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481566461 994401484 /nfs/dbraw/zinc/40/14/84/994401484.db2.gz AWYZBUKVTWZDHH-QFIPXVFZSA-N 1 1 404.457 3.548 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481571913 994408451 /nfs/dbraw/zinc/40/84/51/994408451.db2.gz OVVXPBYDWNHBTF-QKKBWIMNSA-N 1 1 404.457 3.894 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1)c1ccc(F)c(F)c1 ZINC000481591951 994437881 /nfs/dbraw/zinc/43/78/81/994437881.db2.gz BQDRPKQEHKSVRV-AOMKIAJQSA-N 1 1 415.484 3.615 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1 ZINC000481602563 994452428 /nfs/dbraw/zinc/45/24/28/994452428.db2.gz WTBJSVHAJINLIO-IFMALSPDSA-N 1 1 404.432 3.911 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481621160 994482715 /nfs/dbraw/zinc/48/27/15/994482715.db2.gz DCXQPPXHOVVOKO-QRQCRPRQSA-N 1 1 418.484 3.936 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481684438 994544458 /nfs/dbraw/zinc/54/44/58/994544458.db2.gz FAWUBDPWVCYPHV-DFBJGRDBSA-N 1 1 419.525 3.852 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481684438 994544467 /nfs/dbraw/zinc/54/44/67/994544467.db2.gz FAWUBDPWVCYPHV-DFBJGRDBSA-N 1 1 419.525 3.852 20 30 HHEDMO N#Cc1cc(NC(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)ccc1F ZINC000481709510 994570873 /nfs/dbraw/zinc/57/08/73/994570873.db2.gz DBSAAEFJURAVFF-UHFFFAOYSA-N 1 1 415.900 3.685 20 30 HHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000481843159 994697929 /nfs/dbraw/zinc/69/79/29/994697929.db2.gz TUOVDFGWFGDDBB-PVAVHDDUSA-N 1 1 403.548 3.923 20 30 HHEDMO COc1cccc([C@H]2[C@@H](NC(=O)CSCc3ccc(C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000482018004 994928138 /nfs/dbraw/zinc/92/81/38/994928138.db2.gz KMCWLENFZYSKCF-UPVQGACJSA-N 1 1 421.566 3.894 20 30 HHEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000482018384 994929480 /nfs/dbraw/zinc/92/94/80/994929480.db2.gz VMCJSFRREVYLOP-QZTJIDSGSA-N 1 1 407.514 3.968 20 30 HHEDMO C=C(C)COCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000474806762 995718294 /nfs/dbraw/zinc/71/82/94/995718294.db2.gz HCEBSOJLKHCUHP-UHFFFAOYSA-N 1 1 400.350 3.850 20 30 HHEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)cc1OC ZINC000482826375 995775067 /nfs/dbraw/zinc/77/50/67/995775067.db2.gz KSZMLALNGXMBRS-ZJSXRUAMSA-N 1 1 422.525 3.976 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000482907230 995836736 /nfs/dbraw/zinc/83/67/36/995836736.db2.gz UDZCZFDWYRMRFJ-SJORKVTESA-N 1 1 424.932 3.681 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000482907230 995836742 /nfs/dbraw/zinc/83/67/42/995836742.db2.gz UDZCZFDWYRMRFJ-SJORKVTESA-N 1 1 424.932 3.681 20 30 HHEDMO COc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000482978334 995896835 /nfs/dbraw/zinc/89/68/35/995896835.db2.gz HHRDJDGFXDGUJO-UHFFFAOYSA-N 1 1 412.921 3.638 20 30 HHEDMO CN(C(=O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)C1(C#N)CCCCC1 ZINC000483274020 996074907 /nfs/dbraw/zinc/07/49/07/996074907.db2.gz WPPQUFQZGFTTTM-INIZCTEOSA-N 1 1 417.859 3.667 20 30 HHEDMO Cn1cc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000475346107 996081199 /nfs/dbraw/zinc/08/11/99/996081199.db2.gz ATLCHIPLZLAJAM-UHFFFAOYSA-N 1 1 417.479 3.854 20 30 HHEDMO Cn1cc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cc1C#N ZINC000483286816 996081811 /nfs/dbraw/zinc/08/18/11/996081811.db2.gz STAJOMFUJPXEKX-UHFFFAOYSA-N 1 1 421.526 3.851 20 30 HHEDMO Cn1cc(C[N@H+](C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)cc1C#N ZINC000483351551 996117953 /nfs/dbraw/zinc/11/79/53/996117953.db2.gz IHPMHPJHUNKMIN-SFHVURJKSA-N 1 1 418.335 3.849 20 30 HHEDMO Cn1cc(C[N@@H+](C)Cc2cccc(Br)c2OC[C@@H]2CCCO2)cc1C#N ZINC000483351551 996117954 /nfs/dbraw/zinc/11/79/54/996117954.db2.gz IHPMHPJHUNKMIN-SFHVURJKSA-N 1 1 418.335 3.849 20 30 HHEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000475450676 996148806 /nfs/dbraw/zinc/14/88/06/996148806.db2.gz XFCVBBYJYCNVJA-HXUWFJFHSA-N 1 1 420.513 3.622 20 30 HHEDMO C[N@H+]1CCC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488265 996213380 /nfs/dbraw/zinc/21/33/80/996213380.db2.gz JBFCBNINKDDCFX-APWZRJJASA-N 1 1 400.592 3.633 20 30 HHEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000475555131 996217064 /nfs/dbraw/zinc/21/70/64/996217064.db2.gz KSTMCSLUSNMFKG-HXUWFJFHSA-N 1 1 400.567 3.603 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)sc2c1CCCC2 ZINC000475679940 996295786 /nfs/dbraw/zinc/29/57/86/996295786.db2.gz NTSNJMREYSUYHR-DEOSSOPVSA-N 1 1 423.582 3.897 20 30 HHEDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000475787152 996371290 /nfs/dbraw/zinc/37/12/90/996371290.db2.gz FNBMCEZWLYJWEN-VQIMIIECSA-N 1 1 417.962 3.885 20 30 HHEDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@@H](C)C1 ZINC000476828624 997389010 /nfs/dbraw/zinc/38/90/10/997389010.db2.gz NRBXEWOYAPMUSI-JKSUJKDBSA-N 1 1 413.905 3.531 20 30 HHEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@@H](C)C1 ZINC000476828624 997389025 /nfs/dbraw/zinc/38/90/25/997389025.db2.gz NRBXEWOYAPMUSI-JKSUJKDBSA-N 1 1 413.905 3.531 20 30 HHEDMO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000485077058 997447461 /nfs/dbraw/zinc/44/74/61/997447461.db2.gz VSCKUXWDFYLMKG-FXAWDEMLSA-N 1 1 411.477 3.623 20 30 HHEDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000485077058 997447469 /nfs/dbraw/zinc/44/74/69/997447469.db2.gz VSCKUXWDFYLMKG-FXAWDEMLSA-N 1 1 411.477 3.623 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C[C@H]1CC=CCC1 ZINC000485107040 997487746 /nfs/dbraw/zinc/48/77/46/997487746.db2.gz MIFHYCLEBAXSHZ-FQEVSTJZSA-N 1 1 424.545 3.861 20 30 HHEDMO C[N@H+]1CC[C@@H](CNC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477004733 997636338 /nfs/dbraw/zinc/63/63/38/997636338.db2.gz PYVNYWGWKHXWLR-HRAATJIYSA-N 1 1 400.885 3.572 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477055571 997698822 /nfs/dbraw/zinc/69/88/22/997698822.db2.gz GUHLNWJMPWZDGF-XMMPIXPASA-N 1 1 406.530 3.797 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477055571 997698838 /nfs/dbraw/zinc/69/88/38/997698838.db2.gz GUHLNWJMPWZDGF-XMMPIXPASA-N 1 1 406.530 3.797 20 30 HHEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000477106663 997759266 /nfs/dbraw/zinc/75/92/66/997759266.db2.gz ISXGRFIQCFFONP-IBGZPJMESA-N 1 1 408.502 3.891 20 30 HHEDMO C=C(C)[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)c(F)c1 ZINC000477190977 997861232 /nfs/dbraw/zinc/86/12/32/997861232.db2.gz JEHYGWNZQGUEOR-SIKLNZKXSA-N 1 1 415.484 3.648 20 30 HHEDMO Cc1nc(C[NH+]2CCC(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC000477638058 998354951 /nfs/dbraw/zinc/35/49/51/998354951.db2.gz IJGUJGZBXQKYOC-UHFFFAOYSA-N 1 1 421.488 3.850 20 30 HHEDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000477685865 998398197 /nfs/dbraw/zinc/39/81/97/998398197.db2.gz BCSHPROTQCHGKA-NRFANRHFSA-N 1 1 418.541 3.593 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000478143474 998784010 /nfs/dbraw/zinc/78/40/10/998784010.db2.gz JOHOCNHXCPQDKE-QZTJIDSGSA-N 1 1 424.570 3.514 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000478201834 998819903 /nfs/dbraw/zinc/81/99/03/998819903.db2.gz VZGRNDQFTFHTCE-FRIKZZABSA-N 1 1 419.525 3.502 20 30 HHEDMO C[N@H+]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)[C@H](c2ccccc2)C1 ZINC000478374045 998923668 /nfs/dbraw/zinc/92/36/68/998923668.db2.gz SMQYKEJSQVOVQA-SFTDATJTSA-N 1 1 401.466 3.558 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCC[C@H]2CSC)cc1 ZINC000486801968 998946255 /nfs/dbraw/zinc/94/62/55/998946255.db2.gz RYECUJZMIWABRY-SFHVURJKSA-N 1 1 412.559 3.740 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCC[C@H]2CSC)cc1 ZINC000486801968 998946257 /nfs/dbraw/zinc/94/62/57/998946257.db2.gz RYECUJZMIWABRY-SFHVURJKSA-N 1 1 412.559 3.740 20 30 HHEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000486863864 998979835 /nfs/dbraw/zinc/97/98/35/998979835.db2.gz DTXYXRUEVUAIKB-OAQYLSRUSA-N 1 1 416.437 3.617 20 30 HHEDMO C=CCn1c(SCCc2c[nH+]cn2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000487156742 999083453 /nfs/dbraw/zinc/08/34/53/999083453.db2.gz NHTPNWJCIGQGPE-CYBMUJFWSA-N 1 1 400.573 3.837 20 30 HHEDMO C=C(C)[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000478921299 999209416 /nfs/dbraw/zinc/20/94/16/999209416.db2.gz JDJULUKRKQMVNU-WMZHIEFXSA-N 1 1 400.469 3.989 20 30 HHEDMO C=C(C)[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000478921299 999209418 /nfs/dbraw/zinc/20/94/18/999209418.db2.gz JDJULUKRKQMVNU-WMZHIEFXSA-N 1 1 400.469 3.989 20 30 HHEDMO N#Cc1ccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1Br ZINC000487983729 999336207 /nfs/dbraw/zinc/33/62/07/999336207.db2.gz MJBKIRBSXBOMEY-UHFFFAOYSA-N 1 1 405.321 3.562 20 30 HHEDMO N#Cc1ccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1Br ZINC000487983729 999336209 /nfs/dbraw/zinc/33/62/09/999336209.db2.gz MJBKIRBSXBOMEY-UHFFFAOYSA-N 1 1 405.321 3.562 20 30 HHEDMO N#CC1(NC(=O)c2csc(-c3ncccc3F)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479240556 999340781 /nfs/dbraw/zinc/34/07/81/999340781.db2.gz HCHGQZYVUZZNQL-UHFFFAOYSA-N 1 1 421.501 3.632 20 30 HHEDMO Cc1cc(Br)oc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479242170 999341770 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ZINC000303786175 972027235 /nfs/dbraw/zinc/02/72/35/972027235.db2.gz UCSTYYGQFVWGOB-ZJSXRUAMSA-N 1 1 404.558 3.918 20 30 HHEDMO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000553196091 1013153740 /nfs/dbraw/zinc/15/37/40/1013153740.db2.gz CIMURVLWNOLWNV-QHCPKHFHSA-N 1 1 411.509 3.655 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)cc1OCC ZINC000537620245 1013164178 /nfs/dbraw/zinc/16/41/78/1013164178.db2.gz PLYVIPSWUDQXMK-LJQANCHMSA-N 1 1 412.324 3.798 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@](C)(C(=O)OC)C2)cc1OCC ZINC000537620245 1013164184 /nfs/dbraw/zinc/16/41/84/1013164184.db2.gz PLYVIPSWUDQXMK-LJQANCHMSA-N 1 1 412.324 3.798 20 30 HHEDMO COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccccc2)N2CCC(C)CC2)cc1OC ZINC000303883777 972424881 /nfs/dbraw/zinc/42/48/81/972424881.db2.gz MGGGSVVJDHDRSF-NRFANRHFSA-N 1 1 410.562 3.581 20 30 HHEDMO CC[N@H+]1CCC[C@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000553237723 1013203349 /nfs/dbraw/zinc/20/33/49/1013203349.db2.gz FVGSZZWQJUXCJS-QGZVFWFLSA-N 1 1 402.970 3.666 20 30 HHEDMO N#Cc1ccc(C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C2CC2)cc1 ZINC000542247015 1013205760 /nfs/dbraw/zinc/20/57/60/1013205760.db2.gz DVLXEGPPNODTQN-LJQANCHMSA-N 1 1 401.304 3.725 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3nc4ccccc4s3)CC2)cc1 ZINC000010707733 961890150 /nfs/dbraw/zinc/89/01/50/961890150.db2.gz SRMVDRRRSUDEBU-UHFFFAOYSA-N 1 1 404.539 3.835 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553355686 1013296539 /nfs/dbraw/zinc/29/65/39/1013296539.db2.gz IOMXCHFOUZVANY-QGZVFWFLSA-N 1 1 411.525 3.811 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000542423404 1013375539 /nfs/dbraw/zinc/37/55/39/1013375539.db2.gz ZFVSLCBXKOMUTP-AZUAARDMSA-N 1 1 414.550 3.702 20 30 HHEDMO N#Cc1c(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)sc2c1CCCC2 ZINC000016474219 963050693 /nfs/dbraw/zinc/05/06/93/963050693.db2.gz OWADDXSQMWLQPI-UHFFFAOYSA-N 1 1 412.534 3.788 20 30 HHEDMO 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N#Cc1ccccc1-c1ccc(C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)cc1 ZINC000023662726 963874036 /nfs/dbraw/zinc/87/40/36/963874036.db2.gz QAMGAOLAEKXUJR-UHFFFAOYSA-N 1 1 424.548 3.659 20 30 HHEDMO Cc1nc(SCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C#N)c(C)c1C ZINC000026043872 964428428 /nfs/dbraw/zinc/42/84/28/964428428.db2.gz OZNUPLVZZFDYAM-IBGZPJMESA-N 1 1 408.571 3.876 20 30 HHEDMO C[C@H](c1nc2ccccc2s1)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000026262966 964509408 /nfs/dbraw/zinc/50/94/08/964509408.db2.gz RCWYBMZTYNKORE-QGZVFWFLSA-N 1 1 419.554 3.875 20 30 HHEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(Br)c2)C2CC2)cc1 ZINC000026446780 964564755 /nfs/dbraw/zinc/56/47/55/964564755.db2.gz NDEQKEVDBIDEHW-LJQANCHMSA-N 1 1 401.304 3.725 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1ccccc1Cl ZINC000027536355 964914814 /nfs/dbraw/zinc/91/48/14/964914814.db2.gz DDGDMRTZAURIIP-OAHLLOKOSA-N 1 1 402.926 3.956 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000027536353 964915008 /nfs/dbraw/zinc/91/50/08/964915008.db2.gz DDGDMRTZAURIIP-HNNXBMFYSA-N 1 1 402.926 3.956 20 30 HHEDMO CC[C@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000028155015 965046717 /nfs/dbraw/zinc/04/67/17/965046717.db2.gz ZUQAVOPWGSBXEE-QHCPKHFHSA-N 1 1 424.976 3.987 20 30 HHEDMO COc1ccc([C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000054020171 965355469 /nfs/dbraw/zinc/35/54/69/965355469.db2.gz TZXKBGINTYNHPF-DEOSSOPVSA-N 1 1 418.541 3.935 20 30 HHEDMO COC(=O)C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000054394405 965502139 /nfs/dbraw/zinc/50/21/39/965502139.db2.gz QAOVOJUMJINXTP-HNNXBMFYSA-N 1 1 403.548 3.635 20 30 HHEDMO C[C@@H]1C[N@@H+](CCOC2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000538006305 1013579312 /nfs/dbraw/zinc/57/93/12/1013579312.db2.gz SGGFNJBIRDYQLT-IYBDPMFKSA-N 1 1 411.468 3.672 20 30 HHEDMO C[C@@H]1C[N@H+](CCOC2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000538006305 1013579321 /nfs/dbraw/zinc/57/93/21/1013579321.db2.gz SGGFNJBIRDYQLT-IYBDPMFKSA-N 1 1 411.468 3.672 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCc2ccc(F)cc2)c1C#N ZINC000055023158 965730055 /nfs/dbraw/zinc/73/00/55/965730055.db2.gz RFFBLNWBXBFQDZ-UHFFFAOYSA-N 1 1 408.477 3.870 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCc2ccc(F)cc2)c1C#N ZINC000055023158 965730072 /nfs/dbraw/zinc/73/00/72/965730072.db2.gz RFFBLNWBXBFQDZ-UHFFFAOYSA-N 1 1 408.477 3.870 20 30 HHEDMO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000031298431 965973332 /nfs/dbraw/zinc/97/33/32/965973332.db2.gz VTDBMJKJSWYWAV-UHFFFAOYSA-N 1 1 405.285 3.764 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000031298431 965973343 /nfs/dbraw/zinc/97/33/43/965973343.db2.gz VTDBMJKJSWYWAV-UHFFFAOYSA-N 1 1 405.285 3.764 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000060090213 966060138 /nfs/dbraw/zinc/06/01/38/966060138.db2.gz KVWLBXNRFKQKBO-HXUWFJFHSA-N 1 1 405.502 3.563 20 30 HHEDMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1C ZINC000032299268 966215079 /nfs/dbraw/zinc/21/50/79/966215079.db2.gz LCKDOZLPTXJMGM-UHFFFAOYSA-N 1 1 413.525 3.709 20 30 HHEDMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1C ZINC000032299268 966215089 /nfs/dbraw/zinc/21/50/89/966215089.db2.gz LCKDOZLPTXJMGM-UHFFFAOYSA-N 1 1 413.525 3.709 20 30 HHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000061001708 966348050 /nfs/dbraw/zinc/34/80/50/966348050.db2.gz AFWNGNLHOWOOKA-LJQANCHMSA-N 1 1 403.320 3.973 20 30 HHEDMO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000553846634 1013654092 /nfs/dbraw/zinc/65/40/92/1013654092.db2.gz JSKZYFRCRCILQE-OAQYLSRUSA-N 1 1 410.562 3.587 20 30 HHEDMO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000553895851 1013683125 /nfs/dbraw/zinc/68/31/25/1013683125.db2.gz QLJWJNKBDRGRFU-KKSFZXQISA-N 1 1 415.331 3.863 20 30 HHEDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000553895851 1013683129 /nfs/dbraw/zinc/68/31/29/1013683129.db2.gz QLJWJNKBDRGRFU-KKSFZXQISA-N 1 1 415.331 3.863 20 30 HHEDMO CC(C)[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000063751083 966946081 /nfs/dbraw/zinc/94/60/81/966946081.db2.gz IHKZRQYRUVMKFB-JOCHJYFZSA-N 1 1 419.525 3.904 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000043342550 966956494 /nfs/dbraw/zinc/95/64/94/966956494.db2.gz SQSIZCOQTIGQLZ-UHFFFAOYSA-N 1 1 413.865 3.860 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000043342550 966956500 /nfs/dbraw/zinc/95/65/00/966956500.db2.gz SQSIZCOQTIGQLZ-UHFFFAOYSA-N 1 1 413.865 3.860 20 30 HHEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)c1C#N ZINC000538170317 1013730944 /nfs/dbraw/zinc/73/09/44/1013730944.db2.gz YPRWAYFZDCKTBQ-LBPRGKRZSA-N 1 1 403.276 3.967 20 30 HHEDMO N#Cc1ccc(CN2CCC[N@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000046503955 967830700 /nfs/dbraw/zinc/83/07/00/967830700.db2.gz UHRTVLZMHLNYPJ-VWLOTQADSA-N 1 1 416.569 3.650 20 30 HHEDMO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1cccc(C#N)c1 ZINC000046518018 967836808 /nfs/dbraw/zinc/83/68/08/967836808.db2.gz ZGJQOSIUCSPANA-OAQYLSRUSA-N 1 1 405.498 3.515 20 30 HHEDMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1cccc(C#N)c1 ZINC000046518018 967836823 /nfs/dbraw/zinc/83/68/23/967836823.db2.gz ZGJQOSIUCSPANA-OAQYLSRUSA-N 1 1 405.498 3.515 20 30 HHEDMO CC(C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 ZINC000046528017 967841047 /nfs/dbraw/zinc/84/10/47/967841047.db2.gz RUWWCSAJKMRCSL-XMMPIXPASA-N 1 1 407.514 3.665 20 30 HHEDMO CC(C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 ZINC000046528017 967841055 /nfs/dbraw/zinc/84/10/55/967841055.db2.gz RUWWCSAJKMRCSL-XMMPIXPASA-N 1 1 407.514 3.665 20 30 HHEDMO C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000046908252 968005862 /nfs/dbraw/zinc/00/58/62/968005862.db2.gz VHLCJNGOLNMUJQ-INIZCTEOSA-N 1 1 414.600 3.599 20 30 HHEDMO C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000046908252 968005865 /nfs/dbraw/zinc/00/58/65/968005865.db2.gz VHLCJNGOLNMUJQ-INIZCTEOSA-N 1 1 414.600 3.599 20 30 HHEDMO O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047964474 968379220 /nfs/dbraw/zinc/37/92/20/968379220.db2.gz HIUFKSNNJZXYFA-GOSISDBHSA-N 1 1 406.511 3.789 20 30 HHEDMO CC(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CC[NH+](C)CC1 ZINC000072025790 968939526 /nfs/dbraw/zinc/93/95/26/968939526.db2.gz CKWRUTYGOKOUIY-JOCHJYFZSA-N 1 1 421.545 3.744 20 30 HHEDMO CC(C)[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)N1CC[NH+](C)CC1 ZINC000072025791 968939809 /nfs/dbraw/zinc/93/98/09/968939809.db2.gz CKWRUTYGOKOUIY-QFIPXVFZSA-N 1 1 421.545 3.744 20 30 HHEDMO CC(C)[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1cccs1 ZINC000538313921 1013844594 /nfs/dbraw/zinc/84/45/94/1013844594.db2.gz RZSQEKGBQZGFSN-NRFANRHFSA-N 1 1 414.550 3.507 20 30 HHEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1-c1ccccn1 ZINC000106073375 969287087 /nfs/dbraw/zinc/28/70/87/969287087.db2.gz CPWDQHJITFRCAA-UHFFFAOYSA-N 1 1 413.525 3.709 20 30 HHEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1-c1ccccn1 ZINC000106073375 969287093 /nfs/dbraw/zinc/28/70/93/969287093.db2.gz CPWDQHJITFRCAA-UHFFFAOYSA-N 1 1 413.525 3.709 20 30 HHEDMO N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000108939912 969438081 /nfs/dbraw/zinc/43/80/81/969438081.db2.gz XZPFARFUDVHYIU-DEOSSOPVSA-N 1 1 424.504 3.927 20 30 HHEDMO N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000108939912 969438084 /nfs/dbraw/zinc/43/80/84/969438084.db2.gz XZPFARFUDVHYIU-DEOSSOPVSA-N 1 1 424.504 3.927 20 30 HHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)cc1 ZINC000109405762 969513519 /nfs/dbraw/zinc/51/35/19/969513519.db2.gz HPDDXQWQPUELFN-UHFFFAOYSA-N 1 1 406.530 3.634 20 30 HHEDMO COC(=O)CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000110179229 969633572 /nfs/dbraw/zinc/63/35/72/969633572.db2.gz DDEYPSQOHNSCDS-UHFFFAOYSA-N 1 1 411.527 3.502 20 30 HHEDMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000110989004 969755036 /nfs/dbraw/zinc/75/50/36/969755036.db2.gz XBLFBXSKHZZCBK-MMTNMYCKSA-N 1 1 411.590 3.740 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111040244 969765488 /nfs/dbraw/zinc/76/54/88/969765488.db2.gz VFEZUPSHUQJNFG-KRWDZBQOSA-N 1 1 411.525 3.811 20 30 HHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000111226693 969811202 /nfs/dbraw/zinc/81/12/02/969811202.db2.gz CYVFNTABEGHZFD-UHFFFAOYSA-N 1 1 417.497 3.625 20 30 HHEDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000112544697 969815854 /nfs/dbraw/zinc/81/58/54/969815854.db2.gz UJAGKARRHXKHTF-OAHLLOKOSA-N 1 1 420.941 3.777 20 30 HHEDMO C[C@@H](OC[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1 ZINC000116609122 969908503 /nfs/dbraw/zinc/90/85/03/969908503.db2.gz KEJKNZPLLKFUSB-OXQOHEQNSA-N 1 1 417.912 3.611 20 30 HHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000116676017 969913708 /nfs/dbraw/zinc/91/37/08/969913708.db2.gz XWKRSZVMVUHNRC-GDBMZVCRSA-N 1 1 406.552 3.716 20 30 HHEDMO CC(C)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000117174562 969940161 /nfs/dbraw/zinc/94/01/61/969940161.db2.gz FSTHMFSRXLOEHK-HSZRJFAPSA-N 1 1 407.583 3.991 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000138344144 969989601 /nfs/dbraw/zinc/98/96/01/969989601.db2.gz BJGPDCRPLARQCM-IBGZPJMESA-N 1 1 414.303 3.723 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000138344144 969989609 /nfs/dbraw/zinc/98/96/09/969989609.db2.gz BJGPDCRPLARQCM-IBGZPJMESA-N 1 1 414.303 3.723 20 30 HHEDMO C=C(C)CN1CCC([NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237112723 970224681 /nfs/dbraw/zinc/22/46/81/970224681.db2.gz YLSRWRMLKXUJMX-UHFFFAOYSA-N 1 1 417.428 3.675 20 30 HHEDMO C#CCCOc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000238029754 970421666 /nfs/dbraw/zinc/42/16/66/970421666.db2.gz ACCGPUAZTHVHEM-UHFFFAOYSA-N 1 1 412.555 3.553 20 30 HHEDMO COc1ccc(Br)cc1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255588720 970585326 /nfs/dbraw/zinc/58/53/26/970585326.db2.gz IVAYTJDFJGVNEN-UHFFFAOYSA-N 1 1 405.292 3.845 20 30 HHEDMO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000409492337 972943206 /nfs/dbraw/zinc/94/32/06/972943206.db2.gz PVRUQMQRSONJCY-KGLIPLIRSA-N 1 1 415.481 3.508 20 30 HHEDMO N#Cc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000409651900 973102365 /nfs/dbraw/zinc/10/23/65/973102365.db2.gz ZZJPYVPWKFNQCW-OAHLLOKOSA-N 1 1 402.458 3.931 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@H+]1Cc1ccccc1 ZINC000409744060 973219671 /nfs/dbraw/zinc/21/96/71/973219671.db2.gz CSZACBXLOZLSDU-KNQAVFIVSA-N 1 1 413.525 3.869 20 30 HHEDMO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)Nc1ccccc1C#N ZINC000409856494 973325500 /nfs/dbraw/zinc/32/55/00/973325500.db2.gz HTRRTMHGKPSVJK-YVEFUNNKSA-N 1 1 400.276 3.761 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000425988385 974100172 /nfs/dbraw/zinc/10/01/72/974100172.db2.gz FYEQSKKKYIWILQ-SFHVURJKSA-N 1 1 420.513 3.670 20 30 HHEDMO C=CCn1c(SCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000426785119 974657349 /nfs/dbraw/zinc/65/73/49/974657349.db2.gz VRFMJQVEKAMSEQ-HNNXBMFYSA-N 1 1 421.998 3.722 20 30 HHEDMO CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000428337974 975648524 /nfs/dbraw/zinc/64/85/24/975648524.db2.gz WPEVTGUULGDQQM-LEWJYISDSA-N 1 1 400.592 3.840 20 30 HHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000428484578 975785032 /nfs/dbraw/zinc/78/50/32/975785032.db2.gz PERNDONMXDYOIO-SFHVURJKSA-N 1 1 417.431 3.638 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)nc1 ZINC000428768380 976039122 /nfs/dbraw/zinc/03/91/22/976039122.db2.gz AOMLRRCIFJVNAH-YJBOKZPZSA-N 1 1 417.296 3.519 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)nc1 ZINC000428768380 976039133 /nfs/dbraw/zinc/03/91/33/976039133.db2.gz AOMLRRCIFJVNAH-YJBOKZPZSA-N 1 1 417.296 3.519 20 30 HHEDMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)cc1 ZINC000428810043 976088619 /nfs/dbraw/zinc/08/86/19/976088619.db2.gz XMIIUMULVLNYQE-IBGZPJMESA-N 1 1 420.494 3.517 20 30 HHEDMO COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)cc1 ZINC000428810043 976088629 /nfs/dbraw/zinc/08/86/29/976088629.db2.gz XMIIUMULVLNYQE-IBGZPJMESA-N 1 1 420.494 3.517 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428995654 976276405 /nfs/dbraw/zinc/27/64/05/976276405.db2.gz CTOSQEVECSNMJL-YZLZLFLDSA-N 1 1 414.619 3.878 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429004968 976285004 /nfs/dbraw/zinc/28/50/04/976285004.db2.gz LUECHHJWJJKSHE-RMJJICAUSA-N 1 1 400.592 3.681 20 30 HHEDMO C=CCN(CCc1ccccc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429005388 976286529 /nfs/dbraw/zinc/28/65/29/976286529.db2.gz GFPDXZVVWTVNEH-DEOSSOPVSA-N 1 1 407.558 3.718 20 30 HHEDMO N#Cc1ccc(CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000429036069 976319230 /nfs/dbraw/zinc/31/92/30/976319230.db2.gz QMJDTUDGQYZDHU-DEOSSOPVSA-N 1 1 418.541 3.523 20 30 HHEDMO C=CCC[C@H](NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000429079292 976363798 /nfs/dbraw/zinc/36/37/98/976363798.db2.gz AGGKSNFYIMPIDB-IRLDBZIGSA-N 1 1 407.562 3.599 20 30 HHEDMO C[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[N@@H+]1CCO ZINC000429174584 976463765 /nfs/dbraw/zinc/46/37/65/976463765.db2.gz QRVKJKXKYXDPGF-OXJNMPFZSA-N 1 1 412.921 3.526 20 30 HHEDMO C[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[N@H+]1CCO ZINC000429174584 976463776 /nfs/dbraw/zinc/46/37/76/976463776.db2.gz QRVKJKXKYXDPGF-OXJNMPFZSA-N 1 1 412.921 3.526 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429386035 976658910 /nfs/dbraw/zinc/65/89/10/976658910.db2.gz ORTHGJCWMSDOAY-QZTJIDSGSA-N 1 1 400.592 3.683 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429386037 976659324 /nfs/dbraw/zinc/65/93/24/976659324.db2.gz ORTHGJCWMSDOAY-ZWKOTPCHSA-N 1 1 400.592 3.683 20 30 HHEDMO C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+](C2CCC2)C1 ZINC000429393375 976666865 /nfs/dbraw/zinc/66/68/65/976666865.db2.gz KBBKJIDAYLCDMX-MRXNPFEDSA-N 1 1 400.592 3.633 20 30 HHEDMO N#CCCn1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1-c1ccccc1 ZINC000429722594 977013647 /nfs/dbraw/zinc/01/36/47/977013647.db2.gz STQRLOHRKOTJRQ-JOCHJYFZSA-N 1 1 413.525 3.858 20 30 HHEDMO Cc1nc([C@H]2CCCOC2)sc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000429826786 977096689 /nfs/dbraw/zinc/09/66/89/977096689.db2.gz KYDMCJOGQVVBLL-FQEVSTJZSA-N 1 1 424.570 3.565 20 30 HHEDMO Cc1nc([C@H]2CCCOC2)sc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000429826786 977096702 /nfs/dbraw/zinc/09/67/02/977096702.db2.gz KYDMCJOGQVVBLL-FQEVSTJZSA-N 1 1 424.570 3.565 20 30 HHEDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000430107995 977322580 /nfs/dbraw/zinc/32/25/80/977322580.db2.gz SWHYVEQICRQHLN-RUZDIDTESA-N 1 1 414.509 3.780 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CC3=Cc4cc(Br)ccc4OC3)C2)nc1 ZINC000430165940 977361592 /nfs/dbraw/zinc/36/15/92/977361592.db2.gz DDJSKCMWGRMEMD-GOSISDBHSA-N 1 1 412.287 3.645 20 30 HHEDMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430170639 977366276 /nfs/dbraw/zinc/36/62/76/977366276.db2.gz QWYYXGRYBWLSSX-QFIPXVFZSA-N 1 1 416.481 3.589 20 30 HHEDMO CN(C(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1)c1ccccc1 ZINC000430306697 977465802 /nfs/dbraw/zinc/46/58/02/977465802.db2.gz RACMWUANYFAJKG-KRWDZBQOSA-N 1 1 410.905 3.525 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000430348338 977493766 /nfs/dbraw/zinc/49/37/66/977493766.db2.gz SELFLVVTIWXOAV-NRFANRHFSA-N 1 1 418.541 3.535 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430642651 977664606 /nfs/dbraw/zinc/66/46/06/977664606.db2.gz VSXRRHSLNNLNNK-SIKLNZKXSA-N 1 1 421.541 3.895 20 30 HHEDMO C=CCc1ccc(OCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000430664976 977676076 /nfs/dbraw/zinc/67/60/76/977676076.db2.gz JSDZBBTWLRMEOL-KNQAVFIVSA-N 1 1 408.542 3.972 20 30 HHEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C[C@H](C)O1 ZINC000430693125 977698745 /nfs/dbraw/zinc/69/87/45/977698745.db2.gz ZMSBGRSHOXFJFS-HDICACEKSA-N 1 1 401.576 3.654 20 30 HHEDMO N#CCCn1cc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c(-c2ccncc2)n1 ZINC000430878462 977844377 /nfs/dbraw/zinc/84/43/77/977844377.db2.gz IPYZTLDEDYCAMX-UHFFFAOYSA-N 1 1 423.524 3.894 20 30 HHEDMO CCCN(C(=O)c1cccs1)C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000431158817 978059830 /nfs/dbraw/zinc/05/98/30/978059830.db2.gz DTWOMMQQKZGGOV-VGSWGCGISA-N 1 1 418.607 3.508 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3Br)CC2)cc1 ZINC000431676724 978429707 /nfs/dbraw/zinc/42/97/07/978429707.db2.gz ADMWBUWWXKTTKO-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3Br)CC2)cc1 ZINC000431676724 978429713 /nfs/dbraw/zinc/42/97/13/978429713.db2.gz ADMWBUWWXKTTKO-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO N#CCCC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000431824810 978539008 /nfs/dbraw/zinc/53/90/08/978539008.db2.gz VBYMPUMXOKAPIQ-HSZRJFAPSA-N 1 1 406.530 3.753 20 30 HHEDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000431906857 978591436 /nfs/dbraw/zinc/59/14/36/978591436.db2.gz JLTUMSHXINRSNW-CRAIPNDOSA-N 1 1 403.935 3.543 20 30 HHEDMO C=CCN1C(=O)N([C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431956110 978617889 /nfs/dbraw/zinc/61/78/89/978617889.db2.gz BGIYKXQPNPUVAB-AGILITTLSA-N 1 1 417.553 3.959 20 30 HHEDMO COc1ccccc1-c1noc(C2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)n1 ZINC000433021093 979044381 /nfs/dbraw/zinc/04/43/81/979044381.db2.gz FKZMQIUCDZPPAT-UHFFFAOYSA-N 1 1 414.469 3.644 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C[C@H](O)Cc2ccccc2)c1C#N ZINC000433067592 979057275 /nfs/dbraw/zinc/05/72/75/979057275.db2.gz LIWHZZWCTHLDJW-OAQYLSRUSA-N 1 1 408.546 3.566 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1C#N ZINC000433067592 979057277 /nfs/dbraw/zinc/05/72/77/979057277.db2.gz LIWHZZWCTHLDJW-OAQYLSRUSA-N 1 1 408.546 3.566 20 30 HHEDMO N#CCCn1cc(CNCc2cccc(C[NH+]3CCCC3)c2)c(-c2ccncc2)n1 ZINC000433316061 979231947 /nfs/dbraw/zinc/23/19/47/979231947.db2.gz GSPPIVVGIVEUCQ-UHFFFAOYSA-N 1 1 400.530 3.744 20 30 HHEDMO CCOC(=O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCC1 ZINC000434992815 980554842 /nfs/dbraw/zinc/55/48/42/980554842.db2.gz VAYAYSQHBIZLMI-UHFFFAOYSA-N 1 1 403.548 3.635 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCC(c3c[nH]cn3)CC2)c1C#N ZINC000434998606 980559680 /nfs/dbraw/zinc/55/96/80/980559680.db2.gz GAFUGXNNQXDOSN-UHFFFAOYSA-N 1 1 420.492 3.646 20 30 HHEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000435003032 980562615 /nfs/dbraw/zinc/56/26/15/980562615.db2.gz BIBLNZNRKUGKJI-CTNGQTDRSA-N 1 1 423.536 3.602 20 30 HHEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000435025383 980580498 /nfs/dbraw/zinc/58/04/98/980580498.db2.gz ISRWIXVUWYDVHI-ZCYQVOJMSA-N 1 1 403.526 3.760 20 30 HHEDMO CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000435126156 980657250 /nfs/dbraw/zinc/65/72/50/980657250.db2.gz JOUVWPQAORAJPP-XMMPIXPASA-N 1 1 414.557 3.955 20 30 HHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000435126156 980657259 /nfs/dbraw/zinc/65/72/59/980657259.db2.gz JOUVWPQAORAJPP-XMMPIXPASA-N 1 1 414.557 3.955 20 30 HHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000435126156 980657263 /nfs/dbraw/zinc/65/72/63/980657263.db2.gz JOUVWPQAORAJPP-XMMPIXPASA-N 1 1 414.557 3.955 20 30 HHEDMO N#CCCn1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2ccncc2)n1 ZINC000435137672 980668965 /nfs/dbraw/zinc/66/89/65/980668965.db2.gz NPFYXTBDLWOWFR-UHFFFAOYSA-N 1 1 402.458 3.932 20 30 HHEDMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435165729 980692323 /nfs/dbraw/zinc/69/23/23/980692323.db2.gz MZEJQMMXMWTQIO-UHFFFAOYSA-N 1 1 420.416 3.550 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000435598268 980955387 /nfs/dbraw/zinc/95/53/87/980955387.db2.gz QEXBRBCAGXARLP-PBHICJAKSA-N 1 1 418.563 3.631 20 30 HHEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCC#N)CC(F)(F)F)C1 ZINC000435819419 981045015 /nfs/dbraw/zinc/04/50/15/981045015.db2.gz QODFIHZHGWVZMD-UHFFFAOYSA-N 1 1 406.452 3.712 20 30 HHEDMO Cc1cccc2nc(C3CC[NH+]([C@@H]4CC(=O)N(c5ccc(C#N)cc5)C4=O)CC3)oc21 ZINC000435921730 981093381 /nfs/dbraw/zinc/09/33/81/981093381.db2.gz GLPHOEWWNVPVQY-HXUWFJFHSA-N 1 1 414.465 3.519 20 30 HHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2C1 ZINC000437010672 981685590 /nfs/dbraw/zinc/68/55/90/981685590.db2.gz RBLGOTLXJVHKRK-NFBKMPQASA-N 1 1 416.525 3.649 20 30 HHEDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2C1 ZINC000437010672 981685592 /nfs/dbraw/zinc/68/55/92/981685592.db2.gz RBLGOTLXJVHKRK-NFBKMPQASA-N 1 1 416.525 3.649 20 30 HHEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000448328166 981702074 /nfs/dbraw/zinc/70/20/74/981702074.db2.gz PEDSNUMVRKIMJT-OAQYLSRUSA-N 1 1 420.513 3.526 20 30 HHEDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000437078791 981749589 /nfs/dbraw/zinc/74/95/89/981749589.db2.gz RMJXJBRHNISDJH-UHFFFAOYSA-N 1 1 404.518 3.748 20 30 HHEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448463937 981798054 /nfs/dbraw/zinc/79/80/54/981798054.db2.gz DXXFUXXBOMAXAI-XLIONFOSSA-N 1 1 405.464 3.715 20 30 HHEDMO CCn1c(Cc2ccccc2F)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460217484 981993244 /nfs/dbraw/zinc/99/32/44/981993244.db2.gz AHLIFFRYKFNSBP-UHFFFAOYSA-N 1 1 418.520 3.612 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c(OC(F)F)c1 ZINC000437402257 982045958 /nfs/dbraw/zinc/04/59/58/982045958.db2.gz FUUDYJBLBLVDKU-UHFFFAOYSA-N 1 1 406.477 3.756 20 30 HHEDMO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460574413 982358254 /nfs/dbraw/zinc/35/82/54/982358254.db2.gz NAIPSBGCSLHTMS-DENIHFKCSA-N 1 1 419.577 3.873 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)[C@@H](C)C1 ZINC000460631927 982409213 /nfs/dbraw/zinc/40/92/13/982409213.db2.gz UFXUSQKUMRLDNE-GHTZIAJQSA-N 1 1 410.566 3.551 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000437909658 982457100 /nfs/dbraw/zinc/45/71/00/982457100.db2.gz MWUBEDPHUFUNMO-DNQXCXABSA-N 1 1 418.541 3.865 20 30 HHEDMO Cc1ccc(N2CCC(NC(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)[nH+]c1 ZINC000437988189 982509140 /nfs/dbraw/zinc/50/91/40/982509140.db2.gz AIEQCAJVZDLKEQ-UHFFFAOYSA-N 1 1 401.417 3.654 20 30 HHEDMO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460782527 982535071 /nfs/dbraw/zinc/53/50/71/982535071.db2.gz JHQZEMVNJSSZCW-IEBWSBKVSA-N 1 1 411.550 3.601 20 30 HHEDMO C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[N@H+](CC)CC1 ZINC000460794904 982547801 /nfs/dbraw/zinc/54/78/01/982547801.db2.gz PQTKLMOUJJTCFH-UHFFFAOYSA-N 1 1 404.356 3.816 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000438059288 982560720 /nfs/dbraw/zinc/56/07/20/982560720.db2.gz TVQQTJNGKUFOGR-QGZVFWFLSA-N 1 1 403.596 3.571 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000438059288 982560724 /nfs/dbraw/zinc/56/07/24/982560724.db2.gz TVQQTJNGKUFOGR-QGZVFWFLSA-N 1 1 403.596 3.571 20 30 HHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000438095324 982584839 /nfs/dbraw/zinc/58/48/39/982584839.db2.gz MQZVLLWGXUVULT-KRWDZBQOSA-N 1 1 400.404 3.859 20 30 HHEDMO C=CC[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000438096878 982585675 /nfs/dbraw/zinc/58/56/75/982585675.db2.gz MIVZBUSTXWRULH-GOSISDBHSA-N 1 1 417.492 3.795 20 30 HHEDMO C[NH+](C)[C@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1cccc(Cl)c1 ZINC000438599720 982930108 /nfs/dbraw/zinc/93/01/08/982930108.db2.gz DBYRTAJSZJVGMX-MHJFOBGBSA-N 1 1 412.921 3.716 20 30 HHEDMO CCOCC[NH+]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000438648975 982967175 /nfs/dbraw/zinc/96/71/75/982967175.db2.gz KXDOEQFUYVWATO-UHFFFAOYSA-N 1 1 412.465 3.676 20 30 HHEDMO CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000438661517 982979228 /nfs/dbraw/zinc/97/92/28/982979228.db2.gz SIPBNLOLYSFKLU-APWZRJJASA-N 1 1 424.932 3.834 20 30 HHEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438661055 982979270 /nfs/dbraw/zinc/97/92/70/982979270.db2.gz MOWUONHQNMXKCR-SFHVURJKSA-N 1 1 412.465 3.722 20 30 HHEDMO CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000438661792 982979802 /nfs/dbraw/zinc/97/98/02/982979802.db2.gz AQRIZXGVRNWLII-LPHOPBHVSA-N 1 1 424.932 3.834 20 30 HHEDMO CN(c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000461300861 983001372 /nfs/dbraw/zinc/00/13/72/983001372.db2.gz YWFCXCPDNVIOJY-LJQANCHMSA-N 1 1 404.543 3.599 20 30 HHEDMO C=CCOc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000461435070 983098130 /nfs/dbraw/zinc/09/81/30/983098130.db2.gz GXZSBBYTZFPPLQ-FCHUYYIVSA-N 1 1 406.526 3.854 20 30 HHEDMO N#Cc1ccc(CSCC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461441997 983106683 /nfs/dbraw/zinc/10/66/83/983106683.db2.gz CXUSPUYUUWVLFS-XZOQPEGZSA-N 1 1 405.567 3.772 20 30 HHEDMO C[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000438849449 983115720 /nfs/dbraw/zinc/11/57/20/983115720.db2.gz RUKZAXATDYDLDE-REWPJTCUSA-N 1 1 405.546 3.541 20 30 HHEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438854457 983120340 /nfs/dbraw/zinc/12/03/40/983120340.db2.gz WRQPONHOOLAPIS-NFBKMPQASA-N 1 1 405.546 3.541 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC#Cc1ccccc1 ZINC000438858602 983125097 /nfs/dbraw/zinc/12/50/97/983125097.db2.gz AVRQIYQAZRKCLO-GBXCKJPGSA-N 1 1 404.558 3.684 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC#Cc1ccccc1 ZINC000438858602 983125102 /nfs/dbraw/zinc/12/51/02/983125102.db2.gz AVRQIYQAZRKCLO-GBXCKJPGSA-N 1 1 404.558 3.684 20 30 HHEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458769 983125752 /nfs/dbraw/zinc/12/57/52/983125752.db2.gz UYCVUKLOYIVVTJ-FGZHOGPDSA-N 1 1 403.526 3.696 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000439029282 983218908 /nfs/dbraw/zinc/21/89/08/983218908.db2.gz PIPLNHYOCAPFLF-UHFFFAOYSA-N 1 1 417.431 3.734 20 30 HHEDMO C[C@@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1cccc(C#N)c1 ZINC000439597243 983465657 /nfs/dbraw/zinc/46/56/57/983465657.db2.gz NNNAZZVMPNAIGV-GOSISDBHSA-N 1 1 402.498 3.900 20 30 HHEDMO CCCc1c(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439678359 983497625 /nfs/dbraw/zinc/49/76/25/983497625.db2.gz OALQWHPPJLMGIM-ROUUACIJSA-N 1 1 408.550 3.938 20 30 HHEDMO CCCc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439706650 983510191 /nfs/dbraw/zinc/51/01/91/983510191.db2.gz WGKYAAGASCANNE-LAUBAEHRSA-N 1 1 408.550 3.890 20 30 HHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000439761181 983527849 /nfs/dbraw/zinc/52/78/49/983527849.db2.gz YRGVYRLKIRMQAM-UHFFFAOYSA-N 1 1 412.921 3.651 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000440048987 983625068 /nfs/dbraw/zinc/62/50/68/983625068.db2.gz WDHSWJZWXHOBKC-KNQAVFIVSA-N 1 1 421.541 3.701 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c1C#N ZINC000440942874 983991486 /nfs/dbraw/zinc/99/14/86/983991486.db2.gz OYLUCUFREJFAJI-NHCUHLMSSA-N 1 1 424.545 3.978 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C#N ZINC000441394122 984228018 /nfs/dbraw/zinc/22/80/18/984228018.db2.gz NYGBVQKOWSUIPX-XXBNENTESA-N 1 1 423.605 3.979 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c(OC)c1 ZINC000441446780 984256504 /nfs/dbraw/zinc/25/65/04/984256504.db2.gz YWJMVUYBPKTMGG-ZJCBTPCYSA-N 1 1 411.542 3.934 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](c3ccccc3C)OC[C@H]2C)c(OC)c1 ZINC000441446780 984256509 /nfs/dbraw/zinc/25/65/09/984256509.db2.gz YWJMVUYBPKTMGG-ZJCBTPCYSA-N 1 1 411.542 3.934 20 30 HHEDMO C[N@@H+](CCc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1)C1CC1 ZINC000442067757 984620781 /nfs/dbraw/zinc/62/07/81/984620781.db2.gz CLVNSGRBVQAPFO-UHFFFAOYSA-N 1 1 404.514 3.702 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000462177816 985157315 /nfs/dbraw/zinc/15/73/15/985157315.db2.gz BBVOCPRBAAGFKI-JPYJTQIMSA-N 1 1 415.493 3.981 20 30 HHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000443008463 985333638 /nfs/dbraw/zinc/33/36/38/985333638.db2.gz TZDIMIFYGXDGLI-JKIFEVAISA-N 1 1 415.481 3.603 20 30 HHEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443368458 985529042 /nfs/dbraw/zinc/52/90/42/985529042.db2.gz JCKJDHJSCCKLPM-RDJZCZTQSA-N 1 1 403.935 3.543 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000443371999 985532504 /nfs/dbraw/zinc/53/25/04/985532504.db2.gz LFNSPDUWRDKUOH-CYBMUJFWSA-N 1 1 400.891 3.745 20 30 HHEDMO N#CCCn1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000463024396 985984049 /nfs/dbraw/zinc/98/40/49/985984049.db2.gz KYWFZOPEABLDRZ-VWLOTQADSA-N 1 1 415.541 3.676 20 30 HHEDMO N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)c1cccc(Cl)c1 ZINC000463214345 986186409 /nfs/dbraw/zinc/18/64/09/986186409.db2.gz PKUFGKRJOVQGSO-PWRODBHTSA-N 1 1 403.954 3.992 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)CC[C@@H]3CCCC[N@@H+]3C)sc2C1 ZINC000444172404 986349560 /nfs/dbraw/zinc/34/95/60/986349560.db2.gz REQTVGGFQGLPRV-SJORKVTESA-N 1 1 402.608 3.879 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)CC[C@@H]3CCCC[N@H+]3C)sc2C1 ZINC000444172404 986349572 /nfs/dbraw/zinc/34/95/72/986349572.db2.gz REQTVGGFQGLPRV-SJORKVTESA-N 1 1 402.608 3.879 20 30 HHEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCC#N)Cc2ccccn2)C1 ZINC000444180379 986357722 /nfs/dbraw/zinc/35/77/22/986357722.db2.gz GJPJVMBDLDCRGV-UHFFFAOYSA-N 1 1 415.541 3.745 20 30 HHEDMO COc1ccc(CN2CCC[N@H+](Cc3cccc(OCCCC#N)c3)CC2=O)cc1 ZINC000468672256 986380804 /nfs/dbraw/zinc/38/08/04/986380804.db2.gz APMROBCISHKHJS-UHFFFAOYSA-N 1 1 407.514 3.612 20 30 HHEDMO COc1ccc(CN2CCC[N@@H+](Cc3cccc(OCCCC#N)c3)CC2=O)cc1 ZINC000468672256 986380813 /nfs/dbraw/zinc/38/08/13/986380813.db2.gz APMROBCISHKHJS-UHFFFAOYSA-N 1 1 407.514 3.612 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000463509551 986485047 /nfs/dbraw/zinc/48/50/47/986485047.db2.gz OOGJDIHAUCMCKN-MOPGFXCFSA-N 1 1 413.443 3.814 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000463509551 986485055 /nfs/dbraw/zinc/48/50/55/986485055.db2.gz OOGJDIHAUCMCKN-MOPGFXCFSA-N 1 1 413.443 3.814 20 30 HHEDMO C[C@@H]1C[N@@H+](CCOC2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000463663447 986645110 /nfs/dbraw/zinc/64/51/10/986645110.db2.gz IHAHYUCBTXMAJM-IYBDPMFKSA-N 1 1 411.468 3.672 20 30 HHEDMO C[C@@H]1C[N@H+](CCOC2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000463663447 986645118 /nfs/dbraw/zinc/64/51/18/986645118.db2.gz IHAHYUCBTXMAJM-IYBDPMFKSA-N 1 1 411.468 3.672 20 30 HHEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000469088976 986801648 /nfs/dbraw/zinc/80/16/48/986801648.db2.gz UCQZQOKRBJIFME-LJQANCHMSA-N 1 1 422.598 3.713 20 30 HHEDMO N#CC(CC[N@H+]1CCC[C@@H](CN2CCOCC2)C1)(c1ccccc1)c1ccccc1 ZINC000444648354 986833043 /nfs/dbraw/zinc/83/30/43/986833043.db2.gz JIIXPRKXXACOMX-HSZRJFAPSA-N 1 1 403.570 3.931 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444796720 986952628 /nfs/dbraw/zinc/95/26/28/986952628.db2.gz WWMBANOBHAAXGO-HOTGVXAUSA-N 1 1 411.575 3.829 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444796719 986952758 /nfs/dbraw/zinc/95/27/58/986952758.db2.gz WWMBANOBHAAXGO-CVEARBPZSA-N 1 1 411.575 3.829 20 30 HHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)COc1ccccc1 ZINC000444808637 986963518 /nfs/dbraw/zinc/96/35/18/986963518.db2.gz UGRPDNQZYVAGJE-SFHVURJKSA-N 1 1 403.320 3.971 20 30 HHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)COc1ccccc1 ZINC000444808637 986963520 /nfs/dbraw/zinc/96/35/20/986963520.db2.gz UGRPDNQZYVAGJE-SFHVURJKSA-N 1 1 403.320 3.971 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000444828223 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C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486822274 998956364 /nfs/dbraw/zinc/95/63/64/998956364.db2.gz JLKBNIUAKIVFFM-MFSJNOQSSA-N 1 1 408.546 3.903 20 30 HHEDMO Clc1ccc(C#CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)cc1 ZINC000486833021 998962484 /nfs/dbraw/zinc/96/24/84/998962484.db2.gz JCBHJJTYPXMODO-VGOFRKELSA-N 1 1 405.889 3.585 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000478563610 999026594 /nfs/dbraw/zinc/02/65/94/999026594.db2.gz QZXMOBXGMUCWBH-XUZZJYLKSA-N 1 1 402.542 3.751 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C[C@H](C)O1 ZINC000478791687 999143133 /nfs/dbraw/zinc/14/31/33/999143133.db2.gz CFYYJBURCUXILX-KDURUIRLSA-N 1 1 418.541 3.656 20 30 HHEDMO C=CCN(CCOC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000478854948 999177199 /nfs/dbraw/zinc/17/71/99/999177199.db2.gz LOBUGJQGVLHPME-PKOBYXMFSA-N 1 1 413.484 3.932 20 30 HHEDMO 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/nfs/dbraw/zinc/68/56/46/999685646.db2.gz HHRMGTKHMMEUSG-ZCYQVOJMSA-N 1 1 418.541 3.696 20 30 HHEDMO N#Cc1c(C#N)c2c(nc1NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)CCCCCC2 ZINC000480084657 999712890 /nfs/dbraw/zinc/71/28/90/999712890.db2.gz KCYHSGWFWZEIJQ-VQTJNVASSA-N 1 1 415.541 3.531 20 30 HHEDMO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000489183740 999717977 /nfs/dbraw/zinc/71/79/77/999717977.db2.gz JMOXJTUSDSFQOD-RUZDIDTESA-N 1 1 416.569 3.898 20 30 HHEDMO C[N@H+](Cc1ccccc1)CC1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000489183740 999717979 /nfs/dbraw/zinc/71/79/79/999717979.db2.gz JMOXJTUSDSFQOD-RUZDIDTESA-N 1 1 416.569 3.898 20 30 HHEDMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000489388855 999756609 /nfs/dbraw/zinc/75/66/09/999756609.db2.gz MORBGNAZYJZHPA-LJQANCHMSA-N 1 1 407.514 3.857 20 30 HHEDMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000489388855 999756611 /nfs/dbraw/zinc/75/66/11/999756611.db2.gz MORBGNAZYJZHPA-LJQANCHMSA-N 1 1 407.514 3.857 20 30 HHEDMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000489388853 999756662 /nfs/dbraw/zinc/75/66/62/999756662.db2.gz MORBGNAZYJZHPA-IBGZPJMESA-N 1 1 407.514 3.857 20 30 HHEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000489388853 999756665 /nfs/dbraw/zinc/75/66/65/999756665.db2.gz MORBGNAZYJZHPA-IBGZPJMESA-N 1 1 407.514 3.857 20 30 HHEDMO CCc1ccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000480331173 999773331 /nfs/dbraw/zinc/77/33/31/999773331.db2.gz FJEOPXDWYLLNIA-QHCPKHFHSA-N 1 1 407.539 3.742 20 30 HHEDMO COc1cccc(C([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2cccc(OC)c2)c1 ZINC000480342297 999775670 /nfs/dbraw/zinc/77/56/70/999775670.db2.gz ZTYBDEQTMBVHAI-UHFFFAOYSA-N 1 1 415.493 3.571 20 30 HHEDMO N#Cc1ccccc1CSCCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000489781352 999837151 /nfs/dbraw/zinc/83/71/51/999837151.db2.gz UJJTVUPSWWZLAN-OAQYLSRUSA-N 1 1 422.598 3.655 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490021145 999879218 /nfs/dbraw/zinc/87/92/18/999879218.db2.gz BBEUOEZCYKFXQN-IRXDYDNUSA-N 1 1 400.592 3.932 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490021145 999879220 /nfs/dbraw/zinc/87/92/20/999879220.db2.gz BBEUOEZCYKFXQN-IRXDYDNUSA-N 1 1 400.592 3.932 20 30 HHEDMO Cn1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)c(-c2ccc(C#N)cc2)n1 ZINC000490395086 999950609 /nfs/dbraw/zinc/95/06/09/999950609.db2.gz BRYLBXQMTGDOIM-NRFANRHFSA-N 1 1 419.916 3.849 20 30 HHEDMO Cn1cc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)c(-c2ccc(C#N)cc2)n1 ZINC000490395086 999950610 /nfs/dbraw/zinc/95/06/10/999950610.db2.gz BRYLBXQMTGDOIM-NRFANRHFSA-N 1 1 419.916 3.849 20 30 HHEDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1S(=O)(=O)CCCCC#N ZINC000490422071 999955221 /nfs/dbraw/zinc/95/52/21/999955221.db2.gz NHVKWAWIUFXGOM-JOCHJYFZSA-N 1 1 405.608 3.675 20 30 HHEDMO Cc1cc(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000490535043 999974084 /nfs/dbraw/zinc/97/40/84/999974084.db2.gz NVUSARMFPPNRSH-VWLOTQADSA-N 1 1 413.525 3.837 20 30 HHEDMO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491092038 1000044790 /nfs/dbraw/zinc/04/47/90/1000044790.db2.gz ROOZSLQOENBNIF-UHFFFAOYSA-N 1 1 413.525 3.615 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000491571082 1000084441 /nfs/dbraw/zinc/08/44/41/1000084441.db2.gz ZUUYWXAMFNBVSJ-PZJWPPBQSA-N 1 1 419.550 3.694 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000493918954 1000214512 /nfs/dbraw/zinc/21/45/12/1000214512.db2.gz BDJNAPKSCLGRCY-IERDGZPVSA-N 1 1 414.912 3.840 20 30 HHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000494163178 1000336529 /nfs/dbraw/zinc/33/65/29/1000336529.db2.gz IITWJLBZNNMBSZ-PKOBYXMFSA-N 1 1 404.848 3.839 20 30 HHEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000494163178 1000336534 /nfs/dbraw/zinc/33/65/34/1000336534.db2.gz IITWJLBZNNMBSZ-PKOBYXMFSA-N 1 1 404.848 3.839 20 30 HHEDMO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2Br)[C@H]1c1ccc(F)c(F)c1 ZINC000494202987 1000359893 /nfs/dbraw/zinc/35/98/93/1000359893.db2.gz ZPVQBVXXGRDEQH-PKOBYXMFSA-N 1 1 420.257 3.661 20 30 HHEDMO CC(C)(CNC(=O)NCCSCc1ccccc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000504779937 1000366748 /nfs/dbraw/zinc/36/67/48/1000366748.db2.gz WKPOWWADRPROIK-UHFFFAOYSA-N 1 1 422.598 3.928 20 30 HHEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1)C1CC1 ZINC000504889926 1000430586 /nfs/dbraw/zinc/43/05/86/1000430586.db2.gz SIPRGNGPXNXXAM-UHFFFAOYSA-N 1 1 406.505 3.644 20 30 HHEDMO C=CCCc1ccccc1NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000505036095 1000518137 /nfs/dbraw/zinc/51/81/37/1000518137.db2.gz SJWJRZSSVGQKIL-UHFFFAOYSA-N 1 1 406.530 3.515 20 30 HHEDMO N#Cc1cccc(NCC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000494568073 1000558284 /nfs/dbraw/zinc/55/82/84/1000558284.db2.gz WIVQXRGITGYGHF-QFIPXVFZSA-N 1 1 416.550 3.947 20 30 HHEDMO N#Cc1cccc(NCC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000494568073 1000558292 /nfs/dbraw/zinc/55/82/92/1000558292.db2.gz WIVQXRGITGYGHF-QFIPXVFZSA-N 1 1 416.550 3.947 20 30 HHEDMO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CC2)cc1 ZINC000505131440 1000567166 /nfs/dbraw/zinc/56/71/66/1000567166.db2.gz RTZZPAASEOWGIH-OAQYLSRUSA-N 1 1 421.516 3.979 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000495115943 1000851640 /nfs/dbraw/zinc/85/16/40/1000851640.db2.gz LAYDPSDSTLGSQB-HUUCEWRRSA-N 1 1 402.420 3.707 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000495115943 1000851652 /nfs/dbraw/zinc/85/16/52/1000851652.db2.gz LAYDPSDSTLGSQB-HUUCEWRRSA-N 1 1 402.420 3.707 20 30 HHEDMO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000505622934 1000939034 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FWSUYVXBEZELOJ-FQEVSTJZSA-N 1 1 405.542 3.806 20 30 HHEDMO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000497617656 1001460474 /nfs/dbraw/zinc/46/04/74/1001460474.db2.gz HMVDMBPBUJUDSN-NQIIRXRSSA-N 1 1 407.514 3.630 20 30 HHEDMO N#Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000497659611 1001475465 /nfs/dbraw/zinc/47/54/65/1001475465.db2.gz KGSKXOOQQHNVHB-LJQANCHMSA-N 1 1 402.420 3.651 20 30 HHEDMO N#Cc1ccnc(N2CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)c1 ZINC000506660660 1001486252 /nfs/dbraw/zinc/48/62/52/1001486252.db2.gz CSSQOPVBQLYFCH-UHFFFAOYSA-N 1 1 409.493 3.726 20 30 HHEDMO N#Cc1ccnc(N2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC2)c1 ZINC000506690665 1001495091 /nfs/dbraw/zinc/49/50/91/1001495091.db2.gz ROQYXTORCJMQJL-UHFFFAOYSA-N 1 1 421.508 3.523 20 30 HHEDMO CCn1cc(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000497947656 1001575347 /nfs/dbraw/zinc/57/53/47/1001575347.db2.gz ATDSVRQBTXQEAI-UHFFFAOYSA-N 1 1 400.526 3.810 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000498271548 1001746201 /nfs/dbraw/zinc/74/62/01/1001746201.db2.gz IEFRFLYKHKEXFF-DHIUTWEWSA-N 1 1 411.546 3.699 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000498271548 1001746205 /nfs/dbraw/zinc/74/62/05/1001746205.db2.gz IEFRFLYKHKEXFF-DHIUTWEWSA-N 1 1 411.546 3.699 20 30 HHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)c2)c1 ZINC000507064603 1001788608 /nfs/dbraw/zinc/78/86/08/1001788608.db2.gz MHXSYOGYXJRTLZ-HSZRJFAPSA-N 1 1 403.526 3.875 20 30 HHEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000498417215 1001846188 /nfs/dbraw/zinc/84/61/88/1001846188.db2.gz NRALLNOOCPJVJI-FGZHOGPDSA-N 1 1 412.484 3.856 20 30 HHEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000498417215 1001846200 /nfs/dbraw/zinc/84/62/00/1001846200.db2.gz NRALLNOOCPJVJI-FGZHOGPDSA-N 1 1 412.484 3.856 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)c1C#N ZINC000507238555 1001924416 /nfs/dbraw/zinc/92/44/16/1001924416.db2.gz QMJUOVWRKSFUCA-UHFFFAOYSA-N 1 1 416.529 3.566 20 30 HHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507341702 1002010701 /nfs/dbraw/zinc/01/07/01/1002010701.db2.gz QAGURQDGWMDXGX-DENIHFKCSA-N 1 1 418.541 3.947 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000507475309 1002092691 /nfs/dbraw/zinc/09/26/91/1002092691.db2.gz BBGLRNQXJPOTAG-NFBKMPQASA-N 1 1 410.558 3.542 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000507475309 1002092700 /nfs/dbraw/zinc/09/27/00/1002092700.db2.gz BBGLRNQXJPOTAG-NFBKMPQASA-N 1 1 410.558 3.542 20 30 HHEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000498777025 1002162393 /nfs/dbraw/zinc/16/23/93/1002162393.db2.gz YHDIOEPJJRFMAM-UHFFFAOYSA-N 1 1 422.598 3.807 20 30 HHEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000498777025 1002162396 /nfs/dbraw/zinc/16/23/96/1002162396.db2.gz YHDIOEPJJRFMAM-UHFFFAOYSA-N 1 1 422.598 3.807 20 30 HHEDMO CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507804524 1002354992 /nfs/dbraw/zinc/35/49/92/1002354992.db2.gz OYYWWWWWBFTCAN-UHFFFAOYSA-N 1 1 415.896 3.853 20 30 HHEDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(F)c1 ZINC000507905704 1002440250 /nfs/dbraw/zinc/44/02/50/1002440250.db2.gz CDPWQSQONZDOHK-DENIHFKCSA-N 1 1 407.468 3.918 20 30 HHEDMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1OCCCC#N ZINC000507987376 1002516242 /nfs/dbraw/zinc/51/62/42/1002516242.db2.gz YAJIPOKQLYGGNH-FQEVSTJZSA-N 1 1 422.529 3.932 20 30 HHEDMO C=CCn1c(-c2ccccc2Br)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000508480714 1002965071 /nfs/dbraw/zinc/96/50/71/1002965071.db2.gz JLPSBAWFVFFVMB-KRWDZBQOSA-N 1 1 404.356 3.670 20 30 HHEDMO C=CCn1c(CCC2CCCCC2)nnc1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000508482585 1002967402 /nfs/dbraw/zinc/96/74/02/1002967402.db2.gz YTPTTWDOEMTMDO-IBGZPJMESA-N 1 1 401.599 3.667 20 30 HHEDMO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000508506825 1002988733 /nfs/dbraw/zinc/98/87/33/1002988733.db2.gz REQQGONBGSAIPB-UHFFFAOYSA-N 1 1 421.520 3.642 20 30 HHEDMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000508528616 1003007206 /nfs/dbraw/zinc/00/72/06/1003007206.db2.gz VFNBVTDICADULJ-INIZCTEOSA-N 1 1 406.921 3.890 20 30 HHEDMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000508605475 1003060905 /nfs/dbraw/zinc/06/09/05/1003060905.db2.gz ZKLCTRZBFLKTRA-MRXNPFEDSA-N 1 1 406.921 3.890 20 30 HHEDMO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000499733190 1003079236 /nfs/dbraw/zinc/07/92/36/1003079236.db2.gz RSJWZHVYJBUJHP-GOSISDBHSA-N 1 1 402.420 3.709 20 30 HHEDMO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000499733191 1003079641 /nfs/dbraw/zinc/07/96/41/1003079641.db2.gz RSJWZHVYJBUJHP-SFHVURJKSA-N 1 1 402.420 3.709 20 30 HHEDMO C=CCn1c(Cc2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000508885203 1003308649 /nfs/dbraw/zinc/30/86/49/1003308649.db2.gz NJVNZWKNBRAQOA-QFIPXVFZSA-N 1 1 402.546 3.551 20 30 HHEDMO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508930639 1003377020 /nfs/dbraw/zinc/37/70/20/1003377020.db2.gz FUUHJTMOVSIEEM-UHFFFAOYSA-N 1 1 414.513 3.903 20 30 HHEDMO C=CCn1c([C@H]2CCCO2)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508939401 1003389296 /nfs/dbraw/zinc/38/92/96/1003389296.db2.gz SHVFWJQJMUZCJF-OAQYLSRUSA-N 1 1 407.562 3.808 20 30 HHEDMO C=CCn1c(Cc2ccccc2OC)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000508996543 1003467732 /nfs/dbraw/zinc/46/77/32/1003467732.db2.gz OBPXLHRGIKEWBL-UHFFFAOYSA-N 1 1 421.520 3.525 20 30 HHEDMO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500124706 1003487221 /nfs/dbraw/zinc/48/72/21/1003487221.db2.gz NTLTWSAWPRANEM-CQSZACIVSA-N 1 1 401.404 3.606 20 30 HHEDMO CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000500384513 1003680195 /nfs/dbraw/zinc/68/01/95/1003680195.db2.gz OQDOUGUVEDYVIC-UHFFFAOYSA-N 1 1 424.497 3.970 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500832097 1003989466 /nfs/dbraw/zinc/98/94/66/1003989466.db2.gz LGQQHVUJTBEUNY-KRWDZBQOSA-N 1 1 415.534 3.691 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512202404 1004104110 /nfs/dbraw/zinc/10/41/10/1004104110.db2.gz JXXXPAIKNVTAMZ-QGZVFWFLSA-N 1 1 410.543 3.876 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512202404 1004104118 /nfs/dbraw/zinc/10/41/18/1004104118.db2.gz JXXXPAIKNVTAMZ-QGZVFWFLSA-N 1 1 410.543 3.876 20 30 HHEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000512264777 1004166564 /nfs/dbraw/zinc/16/65/64/1004166564.db2.gz NCYJAVOUQYWKGN-NRFANRHFSA-N 1 1 415.541 3.985 20 30 HHEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000512264777 1004166571 /nfs/dbraw/zinc/16/65/71/1004166571.db2.gz NCYJAVOUQYWKGN-NRFANRHFSA-N 1 1 415.541 3.985 20 30 HHEDMO C[N@H+]1CCCC[C@@H]1CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501065956 1004168367 /nfs/dbraw/zinc/16/83/67/1004168367.db2.gz BLGHQTPLBBEIDV-UXHICEINSA-N 1 1 405.384 3.506 20 30 HHEDMO COc1cc(C#N)ccc1CN1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC)CC1 ZINC000501291605 1004335459 /nfs/dbraw/zinc/33/54/59/1004335459.db2.gz NLXONRGWYCNSAT-QHCPKHFHSA-N 1 1 418.541 3.934 20 30 HHEDMO COc1cc(C#N)ccc1CN(C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC)CC1 ZINC000501291605 1004335464 /nfs/dbraw/zinc/33/54/64/1004335464.db2.gz NLXONRGWYCNSAT-QHCPKHFHSA-N 1 1 418.541 3.934 20 30 HHEDMO COc1cc(C#N)ccc1CN(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)CC1 ZINC000501291605 1004335469 /nfs/dbraw/zinc/33/54/69/1004335469.db2.gz NLXONRGWYCNSAT-QHCPKHFHSA-N 1 1 418.541 3.934 20 30 HHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000512531153 1004364547 /nfs/dbraw/zinc/36/45/47/1004364547.db2.gz DKXBMEIYNSRPQJ-CTNGQTDRSA-N 1 1 407.562 3.981 20 30 HHEDMO CCOC(=O)C(C)(C)C1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000510160700 1004366343 /nfs/dbraw/zinc/36/63/43/1004366343.db2.gz TYVYIHANARTVAQ-AWEZNQCLSA-N 1 1 417.575 3.737 20 30 HHEDMO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)cc1 ZINC000512551957 1004379585 /nfs/dbraw/zinc/37/95/85/1004379585.db2.gz HXUUHNZYHOQCGC-UHFFFAOYSA-N 1 1 408.542 3.927 20 30 HHEDMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1F ZINC000512641415 1004453481 /nfs/dbraw/zinc/45/34/81/1004453481.db2.gz GVYQXHUAOPFRCZ-SJORKVTESA-N 1 1 415.534 3.969 20 30 HHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701697 1004504780 /nfs/dbraw/zinc/50/47/80/1004504780.db2.gz SWGUTFKCRPESQC-QHCPKHFHSA-N 1 1 406.574 3.681 20 30 HHEDMO C=CCOc1cccc(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701697 1004504785 /nfs/dbraw/zinc/50/47/85/1004504785.db2.gz SWGUTFKCRPESQC-QHCPKHFHSA-N 1 1 406.574 3.681 20 30 HHEDMO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C2 ZINC000512796134 1004563299 /nfs/dbraw/zinc/56/32/99/1004563299.db2.gz DGTUDBVJTYHKDA-UHFFFAOYSA-N 1 1 424.520 3.934 20 30 HHEDMO CCOC1CC2(C1)CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C2 ZINC000512796134 1004563306 /nfs/dbraw/zinc/56/33/06/1004563306.db2.gz DGTUDBVJTYHKDA-UHFFFAOYSA-N 1 1 424.520 3.934 20 30 HHEDMO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806403 1004569954 /nfs/dbraw/zinc/56/99/54/1004569954.db2.gz VETXAWZKMNIAIP-OAHLLOKOSA-N 1 1 413.518 3.575 20 30 HHEDMO N#Cc1ccc(OC2CC[NH+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)c(F)c1 ZINC000512816443 1004576733 /nfs/dbraw/zinc/57/67/33/1004576733.db2.gz HRZZGNRMQQTNML-HXUWFJFHSA-N 1 1 413.880 3.999 20 30 HHEDMO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512828862 1004587524 /nfs/dbraw/zinc/58/75/24/1004587524.db2.gz RZUJHSXQPPOOHK-KRWDZBQOSA-N 1 1 407.489 3.908 20 30 HHEDMO N#Cc1ccc(OC2CC[NH+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)c(F)c1 ZINC000512838862 1004599505 /nfs/dbraw/zinc/59/95/05/1004599505.db2.gz FQIKFDXQLDWYJJ-HXUWFJFHSA-N 1 1 413.880 3.999 20 30 HHEDMO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000501851677 1004775813 /nfs/dbraw/zinc/77/58/13/1004775813.db2.gz SGQTXSLEBGPYBQ-JOCHJYFZSA-N 1 1 422.598 3.663 20 30 HHEDMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000501851677 1004775828 /nfs/dbraw/zinc/77/58/28/1004775828.db2.gz SGQTXSLEBGPYBQ-JOCHJYFZSA-N 1 1 422.598 3.663 20 30 HHEDMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000501851677 1004775833 /nfs/dbraw/zinc/77/58/33/1004775833.db2.gz SGQTXSLEBGPYBQ-JOCHJYFZSA-N 1 1 422.598 3.663 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CCc2nccs2)c1C#N ZINC000510728585 1004820197 /nfs/dbraw/zinc/82/01/97/1004820197.db2.gz BGPQOTQUNWOBEF-UHFFFAOYSA-N 1 1 411.531 3.578 20 30 HHEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)NCC(C)(C)CCC#N)CC2)c1C ZINC000513135870 1004825748 /nfs/dbraw/zinc/82/57/48/1004825748.db2.gz PIYZFGKTQIWQJZ-UHFFFAOYSA-N 1 1 415.582 3.643 20 30 HHEDMO C=CCOc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCN(CC)CC2)c1 ZINC000510753068 1004833130 /nfs/dbraw/zinc/83/31/30/1004833130.db2.gz PREJSTQUTJQMEM-UHFFFAOYSA-N 1 1 408.546 3.711 20 30 HHEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(Sc4ccccn4)o3)C2=O)cc1 ZINC000513209761 1004862181 /nfs/dbraw/zinc/86/21/81/1004862181.db2.gz KUJSDKHOAMXIMA-IBGZPJMESA-N 1 1 404.495 3.588 20 30 HHEDMO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000502069265 1004888087 /nfs/dbraw/zinc/88/80/87/1004888087.db2.gz FPULNBOYUHOUIU-FQEVSTJZSA-N 1 1 408.571 3.668 20 30 HHEDMO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000502069265 1004888094 /nfs/dbraw/zinc/88/80/94/1004888094.db2.gz FPULNBOYUHOUIU-FQEVSTJZSA-N 1 1 408.571 3.668 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000513274148 1004890499 /nfs/dbraw/zinc/89/04/99/1004890499.db2.gz PXEMDOGQEGVKHE-NRFANRHFSA-N 1 1 407.514 3.507 20 30 HHEDMO Cc1ccc(S(=O)(=O)N[C@H](CC[NH+]2CCC(F)(C#N)CC2)c2ccccc2)cc1 ZINC000510874016 1004904352 /nfs/dbraw/zinc/90/43/52/1004904352.db2.gz WZGDLVCZOUFJLE-OAQYLSRUSA-N 1 1 415.534 3.732 20 30 HHEDMO CC(C)(C)Oc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000502156122 1004928170 /nfs/dbraw/zinc/92/81/70/1004928170.db2.gz PKIGHJQCCCHIAO-UHFFFAOYSA-N 1 1 421.545 3.548 20 30 HHEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000510950557 1004950404 /nfs/dbraw/zinc/95/04/04/1004950404.db2.gz LIQLFRMGGYDRFO-OAHLLOKOSA-N 1 1 422.369 3.717 20 30 HHEDMO Cc1ccc(-c2nnc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)o2)cc1 ZINC000502202685 1004955689 /nfs/dbraw/zinc/95/56/89/1004955689.db2.gz AKHRMBRUPSYACJ-UHFFFAOYSA-N 1 1 401.470 3.767 20 30 HHEDMO CCCN(C(=O)CSc1ccc(C#N)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510962109 1004955771 /nfs/dbraw/zinc/95/57/71/1004955771.db2.gz NCBDRZGEFVFCBK-UHFFFAOYSA-N 1 1 423.586 3.965 20 30 HHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000502337319 1005019873 /nfs/dbraw/zinc/01/98/73/1005019873.db2.gz AKYZWQKTKCGYMH-LJQANCHMSA-N 1 1 407.518 3.668 20 30 HHEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)ccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000511117824 1005026721 /nfs/dbraw/zinc/02/67/21/1005026721.db2.gz YWUVSQIUTIOJLP-HNNXBMFYSA-N 1 1 411.893 3.852 20 30 HHEDMO C=CC[N@H+](Cc1cc(C(=O)OC)ccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000511117824 1005026726 /nfs/dbraw/zinc/02/67/26/1005026726.db2.gz YWUVSQIUTIOJLP-HNNXBMFYSA-N 1 1 411.893 3.852 20 30 HHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000511157497 1005049892 /nfs/dbraw/zinc/04/98/92/1005049892.db2.gz RJJKADWQRPZYQM-FQEVSTJZSA-N 1 1 417.962 3.791 20 30 HHEDMO C=CCN(Cc1ccccc1)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000502403331 1005059509 /nfs/dbraw/zinc/05/95/09/1005059509.db2.gz OUPKWELBONDWPM-UHFFFAOYSA-N 1 1 406.574 3.592 20 30 HHEDMO 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N#Cc1ccc(C[NH+]2CCN(c3nnc(CC4CC4)n3Cc3cccs3)CC2)cc1 ZINC000549968555 1009574629 /nfs/dbraw/zinc/57/46/29/1009574629.db2.gz RLTPMHRYMZESIS-UHFFFAOYSA-N 1 1 418.570 3.534 20 30 HHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520466283 1009575468 /nfs/dbraw/zinc/57/54/68/1009575468.db2.gz BNUBQATTWCJHEA-WMZHIEFXSA-N 1 1 411.521 3.813 20 30 HHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520466283 1009575481 /nfs/dbraw/zinc/57/54/81/1009575481.db2.gz BNUBQATTWCJHEA-WMZHIEFXSA-N 1 1 411.521 3.813 20 30 HHEDMO Cc1nc(SCC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c(C#N)c(C)c1C ZINC000520494757 1009591653 /nfs/dbraw/zinc/59/16/53/1009591653.db2.gz UVKRMXVEZXCIMW-UHFFFAOYSA-N 1 1 422.598 3.924 20 30 HHEDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)c1 ZINC000544188963 1009791382 /nfs/dbraw/zinc/79/13/82/1009791382.db2.gz JVZCYCLDHIWBGW-IFMALSPDSA-N 1 1 422.598 3.563 20 30 HHEDMO C[NH+](C)CCn1ccc2ccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)cc21 ZINC000547270407 1010216232 /nfs/dbraw/zinc/21/62/32/1010216232.db2.gz WGMSOABBMUZBTJ-UHFFFAOYSA-N 1 1 402.907 3.529 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@H+](C)Cc2ccccc2)cc1C ZINC000521309108 1010294962 /nfs/dbraw/zinc/29/49/62/1010294962.db2.gz QJSKAWFWXHDZQA-UHFFFAOYSA-N 1 1 415.541 3.942 20 30 HHEDMO COc1cc(C#N)ccc1NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000547417927 1010296081 /nfs/dbraw/zinc/29/60/81/1010296081.db2.gz VHWQXSMBPDKAPN-FQEVSTJZSA-N 1 1 403.404 3.960 20 30 HHEDMO C=CCOc1ccc(-c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1OC ZINC000544995392 1010542135 /nfs/dbraw/zinc/54/21/35/1010542135.db2.gz IFZKRSJKIQMXPD-UHFFFAOYSA-N 1 1 407.470 3.809 20 30 HHEDMO N#Cc1cccc(OC2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000551385175 1010552693 /nfs/dbraw/zinc/55/26/93/1010552693.db2.gz GXFKIJYTIQOMQX-RUZDIDTESA-N 1 1 405.542 3.693 20 30 HHEDMO N#Cc1cccc(OC2CC[NH+](C[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)c1 ZINC000551385175 1010552706 /nfs/dbraw/zinc/55/27/06/1010552706.db2.gz GXFKIJYTIQOMQX-RUZDIDTESA-N 1 1 405.542 3.693 20 30 HHEDMO CC(=O)Nc1cccc([C@@H](C)NCC#CC[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000551396559 1010560198 /nfs/dbraw/zinc/56/01/98/1010560198.db2.gz UDWRAKDKUQIPJO-HDICACEKSA-N 1 1 406.530 3.608 20 30 HHEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC#CCN[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000551396559 1010560210 /nfs/dbraw/zinc/56/02/10/1010560210.db2.gz UDWRAKDKUQIPJO-HDICACEKSA-N 1 1 406.530 3.608 20 30 HHEDMO C=CC[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521808771 1010634106 /nfs/dbraw/zinc/63/41/06/1010634106.db2.gz MQXGROINBFAAAK-GOSISDBHSA-N 1 1 404.518 3.973 20 30 HHEDMO C=CC[N@H+](CC(=O)Nc1cccc(C(C)C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521808771 1010634111 /nfs/dbraw/zinc/63/41/11/1010634111.db2.gz MQXGROINBFAAAK-GOSISDBHSA-N 1 1 404.518 3.973 20 30 HHEDMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000521810559 1010634858 /nfs/dbraw/zinc/63/48/58/1010634858.db2.gz UMTILBCRKXNMKW-GOSISDBHSA-N 1 1 403.596 3.620 20 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CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548930468 1010765608 /nfs/dbraw/zinc/76/56/08/1010765608.db2.gz BXJSXKTYGGOAIT-DNQXCXABSA-N 1 1 416.569 3.944 20 30 HHEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000522031194 1010765913 /nfs/dbraw/zinc/76/59/13/1010765913.db2.gz BWMNMCABVCXYSX-SFHVURJKSA-N 1 1 422.529 3.834 20 30 HHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000522183294 1010852630 /nfs/dbraw/zinc/85/26/30/1010852630.db2.gz ZGUCGZCWGYDKRU-UHFFFAOYSA-N 1 1 411.521 3.805 20 30 HHEDMO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000522482600 1011039111 /nfs/dbraw/zinc/03/91/11/1011039111.db2.gz WVWZYVCFHBGLLH-FQEVSTJZSA-N 1 1 405.454 3.890 20 30 HHEDMO COCC[N@H+]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000522651621 1011138367 /nfs/dbraw/zinc/13/83/67/1011138367.db2.gz AWCCLJITDQDBOI-UHFFFAOYSA-N 1 1 413.905 3.798 20 30 HHEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2sccc2C#N)c1 ZINC000522684366 1011157660 /nfs/dbraw/zinc/15/76/60/1011157660.db2.gz VTDMTUTXIPEUFR-CYBMUJFWSA-N 1 1 400.479 3.824 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2sccc2C#N)c1 ZINC000522684366 1011157664 /nfs/dbraw/zinc/15/76/64/1011157664.db2.gz VTDMTUTXIPEUFR-CYBMUJFWSA-N 1 1 400.479 3.824 20 30 HHEDMO CC[N@@H+](CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C(C)C ZINC000523013667 1011474373 /nfs/dbraw/zinc/47/43/73/1011474373.db2.gz HJXQOOGRLBCMKV-UHFFFAOYSA-N 1 1 404.565 3.554 20 30 HHEDMO Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nn1CCC#N ZINC000540815547 1011476410 /nfs/dbraw/zinc/47/64/10/1011476410.db2.gz HYAOTAYMBUVCHE-QHCPKHFHSA-N 1 1 406.534 3.625 20 30 HHEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000540873068 1011551294 /nfs/dbraw/zinc/55/12/94/1011551294.db2.gz DDIFHOYDOXHPPU-HDICACEKSA-N 1 1 407.514 3.968 20 30 HHEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000540873068 1011551309 /nfs/dbraw/zinc/55/13/09/1011551309.db2.gz DDIFHOYDOXHPPU-HDICACEKSA-N 1 1 407.514 3.968 20 30 HHEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCSc1ccnc2cc(Cl)ccc21 ZINC000540911253 1011580803 /nfs/dbraw/zinc/58/08/03/1011580803.db2.gz NHBIHOFSMZJGHN-UHFFFAOYSA-N 1 1 400.939 3.722 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000540979669 1011613393 /nfs/dbraw/zinc/61/33/93/1011613393.db2.gz UFYVUCOFNLPQID-QGZVFWFLSA-N 1 1 418.476 3.621 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000540979669 1011613398 /nfs/dbraw/zinc/61/33/98/1011613398.db2.gz UFYVUCOFNLPQID-QGZVFWFLSA-N 1 1 418.476 3.621 20 30 HHEDMO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC000541018466 1011651767 /nfs/dbraw/zinc/65/17/67/1011651767.db2.gz DRCRLNLCBBFIDZ-CQSZACIVSA-N 1 1 413.440 3.683 20 30 HHEDMO C[C@@H](CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@@H+](C)Cc1ccccc1 ZINC000541101197 1011747740 /nfs/dbraw/zinc/74/77/40/1011747740.db2.gz MULNCPWPKANAPK-KRWDZBQOSA-N 1 1 420.492 3.915 20 30 HHEDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000541105093 1011752095 /nfs/dbraw/zinc/75/20/95/1011752095.db2.gz IQRRGFAPNCMIDV-INIZCTEOSA-N 1 1 423.908 3.853 20 30 HHEDMO N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)ccc1OCC(F)(F)F ZINC000523337344 1011812776 /nfs/dbraw/zinc/81/27/76/1011812776.db2.gz VGFDGLSUSQDGPC-MRXNPFEDSA-N 1 1 418.419 3.745 20 30 HHEDMO N#CC1(c2ccccn2)CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552211012 1012223730 /nfs/dbraw/zinc/22/37/30/1012223730.db2.gz FRLGDXMRLJGUIZ-HXUWFJFHSA-N 1 1 424.495 3.623 20 30 HHEDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000552247971 1012258395 /nfs/dbraw/zinc/25/83/95/1012258395.db2.gz KRYNKXIIYNRCPN-INIZCTEOSA-N 1 1 404.432 3.875 20 30 HHEDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000552247971 1012258408 /nfs/dbraw/zinc/25/84/08/1012258408.db2.gz KRYNKXIIYNRCPN-INIZCTEOSA-N 1 1 404.432 3.875 20 30 HHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000523666845 1012261738 /nfs/dbraw/zinc/26/17/38/1012261738.db2.gz BXSUKENREPQLGR-JOCHJYFZSA-N 1 1 418.541 3.747 20 30 HHEDMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000541599870 1012394046 /nfs/dbraw/zinc/39/40/46/1012394046.db2.gz RJYJDTRKWWCASI-FHWLQOOXSA-N 1 1 400.542 3.703 20 30 HHEDMO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1cccc2ccccc21 ZINC000537161618 1012561286 /nfs/dbraw/zinc/56/12/86/1012561286.db2.gz QSLZOAHGFLZSES-JOCHJYFZSA-N 1 1 418.566 3.742 20 30 HHEDMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537161559 1012561421 /nfs/dbraw/zinc/56/14/21/1012561421.db2.gz OZXXZFSKDYLORI-ROUUACIJSA-N 1 1 414.600 3.528 20 30 HHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537161559 1012561436 /nfs/dbraw/zinc/56/14/36/1012561436.db2.gz OZXXZFSKDYLORI-ROUUACIJSA-N 1 1 414.600 3.528 20 30 HHEDMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537172386 1012577525 /nfs/dbraw/zinc/57/75/25/1012577525.db2.gz UFNVNJRGIWICMA-HKUYNNGSSA-N 1 1 422.554 3.896 20 30 HHEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537172386 1012577534 /nfs/dbraw/zinc/57/75/34/1012577534.db2.gz UFNVNJRGIWICMA-HKUYNNGSSA-N 1 1 422.554 3.896 20 30 HHEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(C#N)ccc3NC3CC3)cc2)C[C@H](C)O1 ZINC000552586124 1012591776 /nfs/dbraw/zinc/59/17/76/1012591776.db2.gz YUPGFZWMTRHYEH-IRXDYDNUSA-N 1 1 404.514 3.994 20 30 HHEDMO C[C@H]1CCC[N@@H+](CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552814776 1012822908 /nfs/dbraw/zinc/82/29/08/1012822908.db2.gz KWJAPFUAYKLVQW-KRWDZBQOSA-N 1 1 402.970 3.666 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541973584 1012839896 /nfs/dbraw/zinc/83/98/96/1012839896.db2.gz XPTMNSSZJRXTQF-PXNSSMCTSA-N 1 1 424.570 3.827 20 30 HHEDMO C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542029049 1012925756 /nfs/dbraw/zinc/92/57/56/1012925756.db2.gz YIPZUTCUYGESDP-RDJZCZTQSA-N 1 1 410.497 3.658 20 30 HHEDMO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542075403 1012995796 /nfs/dbraw/zinc/99/57/96/1012995796.db2.gz LVVWISLFWXGPEW-GDIGMMSISA-N 1 1 411.949 3.877 20 30 HHEDMO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542075403 1012995804 /nfs/dbraw/zinc/99/58/04/1012995804.db2.gz LVVWISLFWXGPEW-GDIGMMSISA-N 1 1 411.949 3.877 20 30 HHEDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 ZINC001126744096 1071846355 /nfs/dbraw/zinc/84/63/55/1071846355.db2.gz MHUCBVCJAHNMOI-GOTSBHOMSA-N 1 1 416.481 3.725 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccccc1SCc1occc1C(=O)OC ZINC000729811827 1072121259 /nfs/dbraw/zinc/12/12/59/1072121259.db2.gz CZGCHZPXSVZPBK-MRXNPFEDSA-N 1 1 413.495 3.613 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000729808393 1072124300 /nfs/dbraw/zinc/12/43/00/1072124300.db2.gz AZCFNUFVQTXXGD-TZMCWYRMSA-N 1 1 400.700 3.511 20 30 HHEDMO COc1ccc(CNC(NCc2nc(-c3ccc(OC)cc3)n[nH]2)=[NH+]C(C)(C)C)cc1 ZINC000912507936 1072243970 /nfs/dbraw/zinc/24/39/70/1072243970.db2.gz HVLMIHDDWHLWBW-UHFFFAOYSA-N 1 1 422.533 3.523 20 30 HHEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000760391310 1072315356 /nfs/dbraw/zinc/31/53/56/1072315356.db2.gz UWLXQLOEMPEAPQ-UHFFFAOYSA-N 1 1 403.482 3.673 20 30 HHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000760391310 1072315366 /nfs/dbraw/zinc/31/53/66/1072315366.db2.gz UWLXQLOEMPEAPQ-UHFFFAOYSA-N 1 1 403.482 3.673 20 30 HHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000760418199 1072341555 /nfs/dbraw/zinc/34/15/55/1072341555.db2.gz IISMSYCMJCGFTL-JXFKEZNVSA-N 1 1 420.550 3.633 20 30 HHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000760418199 1072341565 /nfs/dbraw/zinc/34/15/65/1072341565.db2.gz IISMSYCMJCGFTL-JXFKEZNVSA-N 1 1 420.550 3.633 20 30 HHEDMO N#Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1Cl ZINC000586815451 1072434732 /nfs/dbraw/zinc/43/47/32/1072434732.db2.gz ZGYOYBRVPJTGJW-GOSISDBHSA-N 1 1 403.860 3.985 20 30 HHEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1)c1cccc(Cl)c1 ZINC000612174673 1072453887 /nfs/dbraw/zinc/45/38/87/1072453887.db2.gz XTZSAQKZDFKLSF-FQEVSTJZSA-N 1 1 401.869 3.879 20 30 HHEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1)c1cccc(Cl)c1 ZINC000612174673 1072453892 /nfs/dbraw/zinc/45/38/92/1072453892.db2.gz XTZSAQKZDFKLSF-FQEVSTJZSA-N 1 1 401.869 3.879 20 30 HHEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000586872985 1072497675 /nfs/dbraw/zinc/49/76/75/1072497675.db2.gz CCSFGFKFVMEALJ-QFIPXVFZSA-N 1 1 420.532 3.567 20 30 HHEDMO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000571464147 1072626803 /nfs/dbraw/zinc/62/68/03/1072626803.db2.gz KNXJQPSQJPCAJG-UHFFFAOYSA-N 1 1 413.566 3.608 20 30 HHEDMO CCC[C@@]1(CO)CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000571888583 1072866496 /nfs/dbraw/zinc/86/64/96/1072866496.db2.gz OMKQTRNKMOLXEP-HSZRJFAPSA-N 1 1 412.509 3.528 20 30 HHEDMO CCC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000571888583 1072866510 /nfs/dbraw/zinc/86/65/10/1072866510.db2.gz OMKQTRNKMOLXEP-HSZRJFAPSA-N 1 1 412.509 3.528 20 30 HHEDMO Cc1ccc(C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c2ccccn2)cc1 ZINC000571961242 1072955996 /nfs/dbraw/zinc/95/59/96/1072955996.db2.gz ZQDMRJTZYQQDMZ-QHCPKHFHSA-N 1 1 405.523 3.609 20 30 HHEDMO C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000554931541 1072964572 /nfs/dbraw/zinc/96/45/72/1072964572.db2.gz ZOTVABWSELTQAF-UHFFFAOYSA-N 1 1 411.550 3.603 20 30 HHEDMO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000555105806 1073158244 /nfs/dbraw/zinc/15/82/44/1073158244.db2.gz FOWFOCGLBDXACE-QFIPXVFZSA-N 1 1 409.505 3.585 20 30 HHEDMO Cc1nsc(N2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)c1C#N ZINC000572326582 1073241146 /nfs/dbraw/zinc/24/11/46/1073241146.db2.gz ZKSVYMAQQQQGFF-UHFFFAOYSA-N 1 1 424.357 3.781 20 30 HHEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000590153509 1073595098 /nfs/dbraw/zinc/59/50/98/1073595098.db2.gz HLEOBEQZGFTRDQ-UHFFFAOYSA-N 1 1 402.420 3.629 20 30 HHEDMO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cnc1C(F)(F)F ZINC000590186686 1073632090 /nfs/dbraw/zinc/63/20/90/1073632090.db2.gz OSHOFPFNGOUREL-INIZCTEOSA-N 1 1 402.420 3.614 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(Oc4cncc(Cl)c4)CC3)C2=O)cc1 ZINC000568587920 1074177423 /nfs/dbraw/zinc/17/74/23/1074177423.db2.gz YTOLRGNSIRJSPT-NRFANRHFSA-N 1 1 410.905 3.645 20 30 HHEDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573193928 1074251016 /nfs/dbraw/zinc/25/10/16/1074251016.db2.gz BGYWKMQMIOURGY-MRXNPFEDSA-N 1 1 401.457 3.504 20 30 HHEDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573193928 1074251021 /nfs/dbraw/zinc/25/10/21/1074251021.db2.gz BGYWKMQMIOURGY-MRXNPFEDSA-N 1 1 401.457 3.504 20 30 HHEDMO C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1=CC[N@@H+](C)CC1 ZINC000573825838 1074651602 /nfs/dbraw/zinc/65/16/02/1074651602.db2.gz UQCZNHQMTZLZLG-INIZCTEOSA-N 1 1 400.954 3.585 20 30 HHEDMO COc1cc(C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)ccc1O ZINC000760997003 1075107450 /nfs/dbraw/zinc/10/74/50/1075107450.db2.gz FQIUBJJWTKBTHC-GOSISDBHSA-N 1 1 414.465 3.602 20 30 HHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000575205299 1075484106 /nfs/dbraw/zinc/48/41/06/1075484106.db2.gz RWBXQYRCTPEQPY-IEBWSBKVSA-N 1 1 400.542 3.540 20 30 HHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccnc(Cl)c1C#N)CC2 ZINC001164647899 719308026 /nfs/dbraw/zinc/30/80/26/719308026.db2.gz OGNRRIDJRPTWQV-UHFFFAOYSA-N 1 1 408.884 3.553 20 30 HHEDMO 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N#Cc1c2c(cnc1N1CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C1)CCCC2 ZINC001164913825 721736986 /nfs/dbraw/zinc/73/69/86/721736986.db2.gz YIFXZZSYWWORNU-QHCPKHFHSA-N 1 1 423.511 3.965 20 30 HHEDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934313 721890829 /nfs/dbraw/zinc/89/08/29/721890829.db2.gz OSAVIURLXCTIRQ-IRXDYDNUSA-N 1 1 404.345 3.628 20 30 HHEDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934313 721890832 /nfs/dbraw/zinc/89/08/32/721890832.db2.gz OSAVIURLXCTIRQ-IRXDYDNUSA-N 1 1 404.345 3.628 20 30 HHEDMO C=CCOc1cc(C)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164938982 721926517 /nfs/dbraw/zinc/92/65/17/721926517.db2.gz FUNJWNZPYPFFCM-UHFFFAOYSA-N 1 1 408.546 3.530 20 30 HHEDMO N#Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc2ccccc12 ZINC001164960752 722059176 /nfs/dbraw/zinc/05/91/76/722059176.db2.gz KKOMAANUKNSCBL-UHFFFAOYSA-N 1 1 413.525 3.620 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@@H](Nc3nc(C(F)(F)F)ccc3C#N)C2)cc(OC)c1 ZINC000301588599 970992774 /nfs/dbraw/zinc/99/27/74/970992774.db2.gz XQSWYVZARZZHGH-OAHLLOKOSA-N 1 1 406.408 3.676 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000542131443 1013064136 /nfs/dbraw/zinc/06/41/36/1013064136.db2.gz YRKOCZJVOOYMHI-UHFFFAOYSA-N 1 1 423.561 3.535 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000302833026 971340842 /nfs/dbraw/zinc/34/08/42/971340842.db2.gz KSJWTOREVNODGO-HSZRJFAPSA-N 1 1 421.541 3.937 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000302833026 971340847 /nfs/dbraw/zinc/34/08/47/971340847.db2.gz KSJWTOREVNODGO-HSZRJFAPSA-N 1 1 421.541 3.937 20 30 HHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000303095401 971500203 /nfs/dbraw/zinc/50/02/03/971500203.db2.gz FMQCAGRRYJHYFT-QGZVFWFLSA-N 1 1 405.433 3.565 20 30 HHEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000303095401 971500211 /nfs/dbraw/zinc/50/02/11/971500211.db2.gz FMQCAGRRYJHYFT-QGZVFWFLSA-N 1 1 405.433 3.565 20 30 HHEDMO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000303305059 971614294 /nfs/dbraw/zinc/61/42/94/971614294.db2.gz DKZLFORZPPLHMN-QZTJIDSGSA-N 1 1 416.591 3.505 20 30 HHEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000303305059 971614301 /nfs/dbraw/zinc/61/43/01/971614301.db2.gz DKZLFORZPPLHMN-QZTJIDSGSA-N 1 1 416.591 3.505 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)c1C#N ZINC000303417984 971695241 /nfs/dbraw/zinc/69/52/41/971695241.db2.gz WXRUXHVXXODPHE-QGZVFWFLSA-N 1 1 406.486 3.955 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)c1C#N ZINC000303417984 971695244 /nfs/dbraw/zinc/69/52/44/971695244.db2.gz WXRUXHVXXODPHE-QGZVFWFLSA-N 1 1 406.486 3.955 20 30 HHEDMO C[C@H]1C[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000303786173 972026958 /nfs/dbraw/zinc/02/69/58/972026958.db2.gz UCSTYYGQFVWGOB-XUZZJYLKSA-N 1 1 404.558 3.918 20 30 HHEDMO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000553202998 1013163083 /nfs/dbraw/zinc/16/30/83/1013163083.db2.gz UIAVQKQKQIMUDJ-NFBKMPQASA-N 1 1 411.590 3.751 20 30 HHEDMO CSc1ccc(O[C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000303862394 972403801 /nfs/dbraw/zinc/40/38/01/972403801.db2.gz PSTYLXJEKBNIEO-GOSISDBHSA-N 1 1 409.555 3.782 20 30 HHEDMO CSc1ccc(O[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000303862394 972403808 /nfs/dbraw/zinc/40/38/08/972403808.db2.gz PSTYLXJEKBNIEO-GOSISDBHSA-N 1 1 409.555 3.782 20 30 HHEDMO C[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC(C)(C)C1 ZINC000542251780 1013211586 /nfs/dbraw/zinc/21/15/86/1013211586.db2.gz PJCTWHFHNICQKN-QZTJIDSGSA-N 1 1 412.578 3.724 20 30 HHEDMO C[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC(C)(C)C1 ZINC000542251780 1013211595 /nfs/dbraw/zinc/21/15/95/1013211595.db2.gz PJCTWHFHNICQKN-QZTJIDSGSA-N 1 1 412.578 3.724 20 30 HHEDMO C=CCOc1ccc(C[N@@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)cc1OC ZINC000537660074 1013220214 /nfs/dbraw/zinc/22/02/14/1013220214.db2.gz XJIATQKHXOHSOH-UHFFFAOYSA-N 1 1 412.530 3.990 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537706999 1013272269 /nfs/dbraw/zinc/27/22/69/1013272269.db2.gz YCGLNMWWKRBMQM-OAHLLOKOSA-N 1 1 420.498 3.696 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537706999 1013272270 /nfs/dbraw/zinc/27/22/70/1013272270.db2.gz YCGLNMWWKRBMQM-OAHLLOKOSA-N 1 1 420.498 3.696 20 30 HHEDMO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000542418365 1013370302 /nfs/dbraw/zinc/37/03/02/1013370302.db2.gz NUQSQFFGIHNPLG-DVECYGJZSA-N 1 1 418.541 3.522 20 30 HHEDMO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000542418365 1013370311 /nfs/dbraw/zinc/37/03/11/1013370311.db2.gz NUQSQFFGIHNPLG-DVECYGJZSA-N 1 1 418.541 3.522 20 30 HHEDMO CCOc1ccccc1N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000022197967 963607626 /nfs/dbraw/zinc/60/76/26/963607626.db2.gz OWFTWQOBNVJCCD-UHFFFAOYSA-N 1 1 424.570 3.658 20 30 HHEDMO N#Cc1c(NC(=O)CC[NH+]2CCN(Cc3ccccc3)CC2)sc2c1CCCC2 ZINC000023468301 963830757 /nfs/dbraw/zinc/83/07/57/963830757.db2.gz LFPLMDYLONENIM-UHFFFAOYSA-N 1 1 408.571 3.645 20 30 HHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000051050619 964450493 /nfs/dbraw/zinc/45/04/93/964450493.db2.gz DPGOVDHBHGIYKA-CTNGQTDRSA-N 1 1 412.578 3.567 20 30 HHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000051050619 964450517 /nfs/dbraw/zinc/45/05/17/964450517.db2.gz DPGOVDHBHGIYKA-CTNGQTDRSA-N 1 1 412.578 3.567 20 30 HHEDMO COc1ccc2c(CC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)coc2c1 ZINC000027241124 964828896 /nfs/dbraw/zinc/82/88/96/964828896.db2.gz SIVDQFMPNGSWPL-UHFFFAOYSA-N 1 1 403.482 3.590 20 30 HHEDMO CCCCN(C)C(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000052186087 964835409 /nfs/dbraw/zinc/83/54/09/964835409.db2.gz UZPJNSPNIWONQG-UHFFFAOYSA-N 1 1 412.578 3.521 20 30 HHEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027570822 964920752 /nfs/dbraw/zinc/92/07/52/964920752.db2.gz MSMYXJXYXFUXAX-KRWDZBQOSA-N 1 1 408.527 3.591 20 30 HHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027570822 964920759 /nfs/dbraw/zinc/92/07/59/964920759.db2.gz MSMYXJXYXFUXAX-KRWDZBQOSA-N 1 1 408.527 3.591 20 30 HHEDMO CCC[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000052825984 964994549 /nfs/dbraw/zinc/99/45/49/964994549.db2.gz RPKLTWNAWCWBSC-UHFFFAOYSA-N 1 1 405.542 3.978 20 30 HHEDMO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028690881 965162288 /nfs/dbraw/zinc/16/22/88/965162288.db2.gz JPDSZKPPPOMDMF-UHFFFAOYSA-N 1 1 421.589 3.695 20 30 HHEDMO C=CCn1c(=S)n(CN2CC[NH+](Cc3ccsc3)CC2)nc1-c1ccco1 ZINC000028786579 965182971 /nfs/dbraw/zinc/18/29/71/965182971.db2.gz NIKQADMJMLUUGL-UHFFFAOYSA-N 1 1 401.561 3.697 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000028902907 965211796 /nfs/dbraw/zinc/21/17/96/965211796.db2.gz WEBMKYJMJVSIPK-UHFFFAOYSA-N 1 1 410.949 3.713 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c(F)c1 ZINC000054211547 965428035 /nfs/dbraw/zinc/42/80/35/965428035.db2.gz KLEMVPISMHLKEB-HNNXBMFYSA-N 1 1 417.282 3.706 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1cccc(OC)c1 ZINC000054425309 965511498 /nfs/dbraw/zinc/51/14/98/965511498.db2.gz QNNOIYWRSMWIGW-UHFFFAOYSA-N 1 1 414.893 3.509 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)C[N@H+](CC)C1CC1)c1ccc2c(c1)OCO2 ZINC000029913001 965558327 /nfs/dbraw/zinc/55/83/27/965558327.db2.gz IZHSKGHNQFLTDF-UHFFFAOYSA-N 1 1 408.498 3.998 20 30 HHEDMO C=CC[N@@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccc(Cl)s1 ZINC000058452353 965738506 /nfs/dbraw/zinc/73/85/06/965738506.db2.gz IVUYAWNVNBETTA-UHFFFAOYSA-N 1 1 414.980 3.719 20 30 HHEDMO C=CC[N@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccc(Cl)s1 ZINC000058452353 965738516 /nfs/dbraw/zinc/73/85/16/965738516.db2.gz IVUYAWNVNBETTA-UHFFFAOYSA-N 1 1 414.980 3.719 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000032775951 966327563 /nfs/dbraw/zinc/32/75/63/966327563.db2.gz CGHMIVDVWPJEHU-UHFFFAOYSA-N 1 1 412.509 3.755 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000032775951 966327580 /nfs/dbraw/zinc/32/75/80/966327580.db2.gz CGHMIVDVWPJEHU-UHFFFAOYSA-N 1 1 412.509 3.755 20 30 HHEDMO Cc1ccc(-c2nc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cs2)o1 ZINC000032833292 966333576 /nfs/dbraw/zinc/33/35/76/966333576.db2.gz DZDGDDGSQUTGPI-UHFFFAOYSA-N 1 1 406.511 3.931 20 30 HHEDMO Cc1ccc(-c2nc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cs2)o1 ZINC000032833292 966333585 /nfs/dbraw/zinc/33/35/85/966333585.db2.gz DZDGDDGSQUTGPI-UHFFFAOYSA-N 1 1 406.511 3.931 20 30 HHEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643698 966819416 /nfs/dbraw/zinc/81/94/16/966819416.db2.gz SYAAFSIRXFJCHV-SFTDATJTSA-N 1 1 404.558 3.640 20 30 HHEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042643698 966819427 /nfs/dbraw/zinc/81/94/27/966819427.db2.gz SYAAFSIRXFJCHV-SFTDATJTSA-N 1 1 404.558 3.640 20 30 HHEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042643698 966819436 /nfs/dbraw/zinc/81/94/36/966819436.db2.gz SYAAFSIRXFJCHV-SFTDATJTSA-N 1 1 404.558 3.640 20 30 HHEDMO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1OC(F)F ZINC000538144957 1013705078 /nfs/dbraw/zinc/70/50/78/1013705078.db2.gz MCAWZBRAKVVFEW-CQSZACIVSA-N 1 1 411.412 3.635 20 30 HHEDMO CCC[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000047740369 968293363 /nfs/dbraw/zinc/29/33/63/968293363.db2.gz ZPJHRZSSJFDKGI-UHFFFAOYSA-N 1 1 412.921 3.521 20 30 HHEDMO CCC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000047740369 968293371 /nfs/dbraw/zinc/29/33/71/968293371.db2.gz ZPJHRZSSJFDKGI-UHFFFAOYSA-N 1 1 412.921 3.521 20 30 HHEDMO CC(=O)Nc1ccc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000048274882 968508894 /nfs/dbraw/zinc/50/88/94/968508894.db2.gz VDXFLSGUPSYBRY-UHFFFAOYSA-N 1 1 405.502 3.565 20 30 HHEDMO CC(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000065953519 968734776 /nfs/dbraw/zinc/73/47/76/968734776.db2.gz NNRYPIUHFRKGMA-UHFFFAOYSA-N 1 1 418.457 3.501 20 30 HHEDMO CC(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000065953519 968734781 /nfs/dbraw/zinc/73/47/81/968734781.db2.gz NNRYPIUHFRKGMA-UHFFFAOYSA-N 1 1 418.457 3.501 20 30 HHEDMO COc1ccc(-c2nc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n[nH]2)c(OC)c1 ZINC000072057799 968963850 /nfs/dbraw/zinc/96/38/50/968963850.db2.gz XDGXDVRTQAIBGF-QGZVFWFLSA-N 1 1 421.501 3.989 20 30 HHEDMO COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c(OC)c1 ZINC000072057799 968963855 /nfs/dbraw/zinc/96/38/55/968963855.db2.gz XDGXDVRTQAIBGF-QGZVFWFLSA-N 1 1 421.501 3.989 20 30 HHEDMO COc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)c(OC)c1 ZINC000072057799 968963859 /nfs/dbraw/zinc/96/38/59/968963859.db2.gz XDGXDVRTQAIBGF-QGZVFWFLSA-N 1 1 421.501 3.989 20 30 HHEDMO C#CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC000097491163 969145484 /nfs/dbraw/zinc/14/54/84/969145484.db2.gz MHUHQEKSLDVTJR-XZOQPEGZSA-N 1 1 418.537 3.990 20 30 HHEDMO C#CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC000097491163 969145488 /nfs/dbraw/zinc/14/54/88/969145488.db2.gz MHUHQEKSLDVTJR-XZOQPEGZSA-N 1 1 418.537 3.990 20 30 HHEDMO C[C@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000105491915 969241233 /nfs/dbraw/zinc/24/12/33/969241233.db2.gz XGFQLACAJSDHGD-SFHVURJKSA-N 1 1 410.949 3.597 20 30 HHEDMO N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000108939911 969437924 /nfs/dbraw/zinc/43/79/24/969437924.db2.gz XZPFARFUDVHYIU-XMMPIXPASA-N 1 1 424.504 3.927 20 30 HHEDMO N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000108939911 969437926 /nfs/dbraw/zinc/43/79/26/969437926.db2.gz XZPFARFUDVHYIU-XMMPIXPASA-N 1 1 424.504 3.927 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000112548273 969815893 /nfs/dbraw/zinc/81/58/93/969815893.db2.gz ZMUDIMLRDJJAJU-SJLPKXTDSA-N 1 1 423.492 3.558 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000112548273 969815899 /nfs/dbraw/zinc/81/58/99/969815899.db2.gz ZMUDIMLRDJJAJU-SJLPKXTDSA-N 1 1 423.492 3.558 20 30 HHEDMO CCn1c2ccccc2c(C(O)=CONC(=[NH2+])C(C)(C)NC(C)=O)c1-c1ccccc1 ZINC000112615291 969818871 /nfs/dbraw/zinc/81/88/71/969818871.db2.gz PUYRXRURWUXSDL-UHFFFAOYSA-N 1 1 420.513 3.714 20 30 HHEDMO CCCN(C(=O)COc1ccc(C#N)cc1OC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000116557368 969904234 /nfs/dbraw/zinc/90/42/34/969904234.db2.gz DEMYBICACKEFIY-QFIPXVFZSA-N 1 1 421.541 3.849 20 30 HHEDMO Cn1nc(CCC[N@H+](C)CC(=O)Nc2sccc2C#N)cc1-c1ccc(F)cc1 ZINC000139982987 970057663 /nfs/dbraw/zinc/05/76/63/970057663.db2.gz GOIIVIAESRWGEF-UHFFFAOYSA-N 1 1 411.506 3.662 20 30 HHEDMO Cn1nc(CCC[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1-c1ccc(F)cc1 ZINC000139982987 970057671 /nfs/dbraw/zinc/05/76/71/970057671.db2.gz GOIIVIAESRWGEF-UHFFFAOYSA-N 1 1 411.506 3.662 20 30 HHEDMO CC[C@@H](c1nn(CN2CCC(C#N)CC2)c(=S)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000140829049 970088115 /nfs/dbraw/zinc/08/81/15/970088115.db2.gz FSXKKGIZGOOTQS-IBGZPJMESA-N 1 1 414.579 3.618 20 30 HHEDMO C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)cc2)C[C@H](C)O1 ZINC000237634422 970325843 /nfs/dbraw/zinc/32/58/43/970325843.db2.gz UAKZWOZORRBXCT-OYRHEFFESA-N 1 1 406.574 3.935 20 30 HHEDMO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000255118827 970583635 /nfs/dbraw/zinc/58/36/35/970583635.db2.gz YAGZSURDCNXLFJ-UHFFFAOYSA-N 1 1 407.392 3.531 20 30 HHEDMO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000261409721 970658210 /nfs/dbraw/zinc/65/82/10/970658210.db2.gz CJUDXQCDDFKDDP-IEBWSBKVSA-N 1 1 421.888 3.668 20 30 HHEDMO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000261409721 970658215 /nfs/dbraw/zinc/65/82/15/970658215.db2.gz CJUDXQCDDFKDDP-IEBWSBKVSA-N 1 1 421.888 3.668 20 30 HHEDMO COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000305644313 972613284 /nfs/dbraw/zinc/61/32/84/972613284.db2.gz CBDJPBVBVNFDDL-JLTOFOAXSA-N 1 1 420.916 3.916 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000409518128 972972841 /nfs/dbraw/zinc/97/28/41/972972841.db2.gz KPPGCMFPRVSKJG-DLBZAZTESA-N 1 1 410.331 3.913 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000409518925 972974034 /nfs/dbraw/zinc/97/40/34/972974034.db2.gz FDERINCBYGXACB-ZWKOTPCHSA-N 1 1 410.331 3.913 20 30 HHEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000410394631 973992679 /nfs/dbraw/zinc/99/26/79/973992679.db2.gz CNIWBLOORVRRAQ-SFHVURJKSA-N 1 1 403.954 3.516 20 30 HHEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3Cl)cc2)CC1 ZINC000426163318 974276073 /nfs/dbraw/zinc/27/60/73/974276073.db2.gz VINMICONJSYESH-UHFFFAOYSA-N 1 1 411.937 3.671 20 30 HHEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000426569299 974534872 /nfs/dbraw/zinc/53/48/72/974534872.db2.gz YVDXQXNFYXVKSX-HXUWFJFHSA-N 1 1 405.542 3.822 20 30 HHEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674691 974594671 /nfs/dbraw/zinc/59/46/71/974594671.db2.gz LRKPADLNVGFPLX-ZWKOTPCHSA-N 1 1 420.513 3.526 20 30 HHEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000426752952 974636300 /nfs/dbraw/zinc/63/63/00/974636300.db2.gz BNMUSHJXLCRZPX-KRWDZBQOSA-N 1 1 402.947 3.924 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000426784426 974657587 /nfs/dbraw/zinc/65/75/87/974657587.db2.gz MHPAWMYGCMKQMY-GCJKJVERSA-N 1 1 417.525 3.511 20 30 HHEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c2ccccc21 ZINC000426787662 974659410 /nfs/dbraw/zinc/65/94/10/974659410.db2.gz GTHQKFTVVNDPTQ-FQEVSTJZSA-N 1 1 409.530 3.788 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)C[C@H]3C)sc2C1 ZINC000427019274 974830469 /nfs/dbraw/zinc/83/04/69/974830469.db2.gz JKUHKOPEBKHCQV-HZPDHXFCSA-N 1 1 402.608 3.735 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+](CC)C[C@@H](O)C(F)(F)F)cc1OC ZINC000428398421 975718930 /nfs/dbraw/zinc/71/89/30/975718930.db2.gz ICVFXOFPCFLICR-CQSZACIVSA-N 1 1 412.246 3.768 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)C[C@@H](O)C(F)(F)F)cc1OC ZINC000428398421 975718938 /nfs/dbraw/zinc/71/89/38/975718938.db2.gz ICVFXOFPCFLICR-CQSZACIVSA-N 1 1 412.246 3.768 20 30 HHEDMO C=C(C)COc1cc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000428432104 975745905 /nfs/dbraw/zinc/74/59/05/975745905.db2.gz OQFVCQPPJXZXCV-VWLOTQADSA-N 1 1 410.558 3.719 20 30 HHEDMO C=C(C)COc1cc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1OC ZINC000428432104 975745914 /nfs/dbraw/zinc/74/59/14/975745914.db2.gz OQFVCQPPJXZXCV-VWLOTQADSA-N 1 1 410.558 3.719 20 30 HHEDMO C=C(C)COc1cc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1OC ZINC000428432104 975745925 /nfs/dbraw/zinc/74/59/25/975745925.db2.gz OQFVCQPPJXZXCV-VWLOTQADSA-N 1 1 410.558 3.719 20 30 HHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](C(=O)NCC(F)(F)F)C3)c2)c1 ZINC000428485630 975785287 /nfs/dbraw/zinc/78/52/87/975785287.db2.gz SGXXFFIICQHRHB-IBGZPJMESA-N 1 1 417.431 3.638 20 30 HHEDMO Cc1ccc(N2CCC(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)[nH+]c1 ZINC000428621828 975926267 /nfs/dbraw/zinc/92/62/67/975926267.db2.gz MVOJRKIBINRVAL-UHFFFAOYSA-N 1 1 414.513 3.566 20 30 HHEDMO N#CCC[C@@H](NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000428971218 976259368 /nfs/dbraw/zinc/25/93/68/976259368.db2.gz VNDIHIKTZLBRNU-FCHUYYIVSA-N 1 1 408.571 3.948 20 30 HHEDMO N#CCC[C@@H](NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000428971218 976259375 /nfs/dbraw/zinc/25/93/75/976259375.db2.gz VNDIHIKTZLBRNU-FCHUYYIVSA-N 1 1 408.571 3.948 20 30 HHEDMO N#Cc1ccc(CN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C2CC2)cc1 ZINC000429041806 976326023 /nfs/dbraw/zinc/32/60/23/976326023.db2.gz MISASFFKDXCPDT-QHCPKHFHSA-N 1 1 420.582 3.850 20 30 HHEDMO N#Cc1ccc(CN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C2CC2)cc1 ZINC000429041806 976326032 /nfs/dbraw/zinc/32/60/32/976326032.db2.gz MISASFFKDXCPDT-QHCPKHFHSA-N 1 1 420.582 3.850 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429084978 976370587 /nfs/dbraw/zinc/37/05/87/976370587.db2.gz PHUBYMPQFFJAAT-XXBNENTESA-N 1 1 413.525 3.714 20 30 HHEDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000429147417 976434811 /nfs/dbraw/zinc/43/48/11/976434811.db2.gz FCORVPIGRSMJIK-OAHLLOKOSA-N 1 1 400.885 3.890 20 30 HHEDMO C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@H+](C2CCC2)C1 ZINC000429380535 976652900 /nfs/dbraw/zinc/65/29/00/976652900.db2.gz MHTICTLENLTNEH-INIZCTEOSA-N 1 1 400.592 3.633 20 30 HHEDMO C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+](C2CCC2)C1 ZINC000429393374 976667002 /nfs/dbraw/zinc/66/70/02/976667002.db2.gz KBBKJIDAYLCDMX-INIZCTEOSA-N 1 1 400.592 3.633 20 30 HHEDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[C@H]1C(C)C ZINC000429397655 976673668 /nfs/dbraw/zinc/67/36/68/976673668.db2.gz JHPWIUJKJPBVHD-IIMJZQEZSA-N 1 1 417.575 3.593 20 30 HHEDMO CC(C)Oc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000429619886 976906598 /nfs/dbraw/zinc/90/65/98/976906598.db2.gz IQHBXAAICBIFDU-QFIPXVFZSA-N 1 1 422.529 3.758 20 30 HHEDMO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1OCCc2sccc21 ZINC000429828452 977097911 /nfs/dbraw/zinc/09/79/11/977097911.db2.gz OGJSHAKTLNLYOC-JTSKRJEESA-N 1 1 409.555 3.604 20 30 HHEDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1OCCc2sccc21 ZINC000429828452 977097918 /nfs/dbraw/zinc/09/79/18/977097918.db2.gz OGJSHAKTLNLYOC-JTSKRJEESA-N 1 1 409.555 3.604 20 30 HHEDMO Cn1cc(C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)Cc2ccc(Cl)cc2)cn1 ZINC000430251781 977420619 /nfs/dbraw/zinc/42/06/19/977420619.db2.gz PEVAMGOPJZDIFD-UHFFFAOYSA-N 1 1 407.905 3.976 20 30 HHEDMO N#CCSc1cccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000430765135 977741723 /nfs/dbraw/zinc/74/17/23/977741723.db2.gz DYOQXZFRLNGHSW-UHFFFAOYSA-N 1 1 401.482 3.975 20 30 HHEDMO C=CCN1C(=O)N(C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431071397 978002921 /nfs/dbraw/zinc/00/29/21/978002921.db2.gz PHEPFJZLISAPQV-BJKOFHAPSA-N 1 1 417.553 3.613 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431388028 978262410 /nfs/dbraw/zinc/26/24/10/978262410.db2.gz LCTGXFORYRBPPQ-SIKLNZKXSA-N 1 1 421.541 3.749 20 30 HHEDMO CN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000431817895 978535310 /nfs/dbraw/zinc/53/53/10/978535310.db2.gz LCPQXBGMLOLWJY-DEOSSOPVSA-N 1 1 419.573 3.668 20 30 HHEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000431906860 978591231 /nfs/dbraw/zinc/59/12/31/978591231.db2.gz JLTUMSHXINRSNW-YJBOKZPZSA-N 1 1 403.935 3.543 20 30 HHEDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000431906859 978591334 /nfs/dbraw/zinc/59/13/34/978591334.db2.gz JLTUMSHXINRSNW-QAPCUYQASA-N 1 1 403.935 3.543 20 30 HHEDMO C=CCN1C(=O)N([C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431956113 978617941 /nfs/dbraw/zinc/61/79/41/978617941.db2.gz BGIYKXQPNPUVAB-QDSKXPNFSA-N 1 1 417.553 3.959 20 30 HHEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000431983172 978630764 /nfs/dbraw/zinc/63/07/64/978630764.db2.gz VENCENGINYSRQC-HDICACEKSA-N 1 1 418.541 3.600 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000432531950 978868591 /nfs/dbraw/zinc/86/85/91/978868591.db2.gz QHYVYZYLBMFAKS-SFHVURJKSA-N 1 1 424.570 3.757 20 30 HHEDMO N#Cc1cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000432915974 979010742 /nfs/dbraw/zinc/01/07/42/979010742.db2.gz GIAILBWMYNSCAR-UHFFFAOYSA-N 1 1 402.458 3.931 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1C#N ZINC000433067589 979057204 /nfs/dbraw/zinc/05/72/04/979057204.db2.gz LIWHZZWCTHLDJW-NRFANRHFSA-N 1 1 408.546 3.566 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1C#N ZINC000433067589 979057206 /nfs/dbraw/zinc/05/72/06/979057206.db2.gz LIWHZZWCTHLDJW-NRFANRHFSA-N 1 1 408.546 3.566 20 30 HHEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCCSC1 ZINC000433199048 979135194 /nfs/dbraw/zinc/13/51/94/979135194.db2.gz JLFDLQOSHLKVTL-HNNXBMFYSA-N 1 1 407.605 3.671 20 30 HHEDMO COc1cc(C[N@@H+](CCO)[C@@H]2CCCSC2)ccc1OCc1cccc(C#N)c1 ZINC000433202590 979138023 /nfs/dbraw/zinc/13/80/23/979138023.db2.gz RTZJVIBZRAEFMX-OAQYLSRUSA-N 1 1 412.555 3.836 20 30 HHEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)c1 ZINC000433298654 979222939 /nfs/dbraw/zinc/22/29/39/979222939.db2.gz APTWCBFYSLLGGO-LJQANCHMSA-N 1 1 412.331 3.502 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000434788091 980398933 /nfs/dbraw/zinc/39/89/33/980398933.db2.gz XNQCDROAXFBPLT-ICSRJNTNSA-N 1 1 404.297 3.784 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434851239 980445109 /nfs/dbraw/zinc/44/51/09/980445109.db2.gz AOUCJSACCYJOKG-HXUWFJFHSA-N 1 1 406.511 3.945 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434855959 980450387 /nfs/dbraw/zinc/45/03/87/980450387.db2.gz PXZTXTMDCOETQD-HXUWFJFHSA-N 1 1 423.517 3.819 20 30 HHEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000434929990 980505585 /nfs/dbraw/zinc/50/55/85/980505585.db2.gz DFCQENFHFNLHLY-UHFFFAOYSA-N 1 1 412.921 3.797 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000435057976 980602406 /nfs/dbraw/zinc/60/24/06/980602406.db2.gz RDFLQJOLFUHIHI-HXUWFJFHSA-N 1 1 423.517 3.819 20 30 HHEDMO N#CCCn1cc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435129228 980660475 /nfs/dbraw/zinc/66/04/75/980660475.db2.gz LWTPBQRUSMGKIC-UHFFFAOYSA-N 1 1 409.497 3.603 20 30 HHEDMO N#CCCn1cc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435129228 980660479 /nfs/dbraw/zinc/66/04/79/980660479.db2.gz LWTPBQRUSMGKIC-UHFFFAOYSA-N 1 1 409.497 3.603 20 30 HHEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2ccncc2)n1 ZINC000435137628 980668745 /nfs/dbraw/zinc/66/87/45/980668745.db2.gz MZGHMWCDEDAFNB-FQEVSTJZSA-N 1 1 401.470 3.925 20 30 HHEDMO C=CCC[C@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000435140541 980672233 /nfs/dbraw/zinc/67/22/33/980672233.db2.gz ITUUPTVJSUXYIG-VXKWHMMOSA-N 1 1 406.530 3.965 20 30 HHEDMO C=CCC[C@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000435140541 980672236 /nfs/dbraw/zinc/67/22/36/980672236.db2.gz ITUUPTVJSUXYIG-VXKWHMMOSA-N 1 1 406.530 3.965 20 30 HHEDMO Cc1cc(NC(=O)N(CCC#N)CC2CC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435525245 980919879 /nfs/dbraw/zinc/91/98/79/980919879.db2.gz ITSYVRWRFJPVCQ-OAQYLSRUSA-N 1 1 406.534 3.796 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000435598274 980955408 /nfs/dbraw/zinc/95/54/08/980955408.db2.gz QEXBRBCAGXARLP-YOEHRIQHSA-N 1 1 418.563 3.631 20 30 HHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2C1 ZINC000437010674 981685637 /nfs/dbraw/zinc/68/56/37/981685637.db2.gz RBLGOTLXJVHKRK-OFNKIYASSA-N 1 1 416.525 3.649 20 30 HHEDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2C1 ZINC000437010674 981685638 /nfs/dbraw/zinc/68/56/38/981685638.db2.gz RBLGOTLXJVHKRK-OFNKIYASSA-N 1 1 416.525 3.649 20 30 HHEDMO Cc1nc(SCC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000437055298 981726024 /nfs/dbraw/zinc/72/60/24/981726024.db2.gz MUJWDQXAAHMEFW-NRFANRHFSA-N 1 1 422.598 3.951 20 30 HHEDMO C=CCc1cc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(OC)c1OC ZINC000448468594 981806681 /nfs/dbraw/zinc/80/66/81/981806681.db2.gz VKKOOEGDOHDXRB-CTNGQTDRSA-N 1 1 413.562 3.591 20 30 HHEDMO C=CCc1cc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(OC)c1OC ZINC000448468597 981807019 /nfs/dbraw/zinc/80/70/19/981807019.db2.gz VKKOOEGDOHDXRB-TZIWHRDSSA-N 1 1 413.562 3.591 20 30 HHEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000460198563 981972817 /nfs/dbraw/zinc/97/28/17/981972817.db2.gz XDKCYDAQGOWAIY-UHFFFAOYSA-N 1 1 404.493 3.688 20 30 HHEDMO CCCN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437337120 981987303 /nfs/dbraw/zinc/98/73/03/981987303.db2.gz KSCYCLYAUARUGV-NRFANRHFSA-N 1 1 422.504 3.539 20 30 HHEDMO CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437341480 981991814 /nfs/dbraw/zinc/99/18/14/981991814.db2.gz MNTGNSSBQBYSHR-JOCHJYFZSA-N 1 1 418.541 3.708 20 30 HHEDMO C=CCc1cc(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc(OC)c1O ZINC000437349778 982000684 /nfs/dbraw/zinc/00/06/84/982000684.db2.gz VTQSMDKWVGDSGB-IERDGZPVSA-N 1 1 403.544 3.702 20 30 HHEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460272618 982048341 /nfs/dbraw/zinc/04/83/41/982048341.db2.gz ZQGMDVCAZHCCSY-RTBURBONSA-N 1 1 400.530 3.936 20 30 HHEDMO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460389033 982168385 /nfs/dbraw/zinc/16/83/85/982168385.db2.gz PMGXYZINUYNVRM-GOSISDBHSA-N 1 1 420.561 3.692 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460396250 982176815 /nfs/dbraw/zinc/17/68/15/982176815.db2.gz XMDJLQSCBUJDLL-PKOBYXMFSA-N 1 1 413.566 3.705 20 30 HHEDMO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460562389 982347769 /nfs/dbraw/zinc/34/77/69/982347769.db2.gz SFQMVROMPKNKKN-PZJWPPBQSA-N 1 1 411.594 3.957 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460802726 982555481 /nfs/dbraw/zinc/55/54/81/982555481.db2.gz CHBROUYRNZWZDN-IEBWSBKVSA-N 1 1 401.530 3.739 20 30 HHEDMO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460955734 982688974 /nfs/dbraw/zinc/68/89/74/982688974.db2.gz CXFNAFPDUQRSFK-MSOLQXFVSA-N 1 1 413.566 3.847 20 30 HHEDMO CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000438655569 982973082 /nfs/dbraw/zinc/97/30/82/982973082.db2.gz MHPQNFYZKHKIIU-JXFKEZNVSA-N 1 1 424.932 3.834 20 30 HHEDMO CSc1ccc(OCC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000438691740 983004814 /nfs/dbraw/zinc/00/48/14/983004814.db2.gz KEUIKCCFJONMIV-UHFFFAOYSA-N 1 1 410.499 3.729 20 30 HHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H]1C ZINC000461509550 983157474 /nfs/dbraw/zinc/15/74/74/983157474.db2.gz RRURLEAOJDPTAG-IRXDYDNUSA-N 1 1 406.559 3.845 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000439219540 983315745 /nfs/dbraw/zinc/31/57/45/983315745.db2.gz ANPOKHWRRIPBOV-HXUWFJFHSA-N 1 1 420.513 3.845 20 30 HHEDMO CCCc1c(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439669259 983493410 /nfs/dbraw/zinc/49/34/10/983493410.db2.gz WJAUOMUDNWAIIO-ZWKOTPCHSA-N 1 1 408.550 3.938 20 30 HHEDMO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440515729 983782650 /nfs/dbraw/zinc/78/26/50/983782650.db2.gz FSSWJFZXOKDWFI-SANMLTNESA-N 1 1 411.505 3.592 20 30 HHEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440931562 983985911 /nfs/dbraw/zinc/98/59/11/983985911.db2.gz XBQNYUFGNHTRAO-KRWDZBQOSA-N 1 1 422.510 3.589 20 30 HHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440931562 983985916 /nfs/dbraw/zinc/98/59/16/983985916.db2.gz XBQNYUFGNHTRAO-KRWDZBQOSA-N 1 1 422.510 3.589 20 30 HHEDMO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000441069240 984053585 /nfs/dbraw/zinc/05/35/85/984053585.db2.gz NVEWJTWYOKBJQG-NBGIEHNGSA-N 1 1 400.526 3.721 20 30 HHEDMO C[N@@H+](CCNC(=O)C1CCN(CC#Cc2ccccc2Cl)CC1)Cc1ccccc1 ZINC000441163163 984097041 /nfs/dbraw/zinc/09/70/41/984097041.db2.gz DOWQWLRDMMWVCR-UHFFFAOYSA-N 1 1 423.988 3.652 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441204552 984113848 /nfs/dbraw/zinc/11/38/48/984113848.db2.gz NIYYDRDEBAPDRC-VQTJNVASSA-N 1 1 424.545 3.695 20 30 HHEDMO Cc1oc(NC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000441273481 984152533 /nfs/dbraw/zinc/15/25/33/984152533.db2.gz CQLMNYBMXFJZGM-UONOGXRCSA-N 1 1 403.910 3.674 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)sc2c1CCCCC2 ZINC000441286750 984159710 /nfs/dbraw/zinc/15/97/10/984159710.db2.gz OVAOYVARRVPRQJ-DLBZAZTESA-N 1 1 401.576 3.966 20 30 HHEDMO CCOc1ccccc1CN1CC[N@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000441332731 984190148 /nfs/dbraw/zinc/19/01/48/984190148.db2.gz RTJYRKGITGWQMP-KRWDZBQOSA-N 1 1 412.559 3.553 20 30 HHEDMO CCOc1ccccc1CN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000441332731 984190152 /nfs/dbraw/zinc/19/01/52/984190152.db2.gz RTJYRKGITGWQMP-KRWDZBQOSA-N 1 1 412.559 3.553 20 30 HHEDMO CCOc1ccccc1C[N@@H+]1CCN(CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000441332731 984190156 /nfs/dbraw/zinc/19/01/56/984190156.db2.gz RTJYRKGITGWQMP-KRWDZBQOSA-N 1 1 412.559 3.553 20 30 HHEDMO CCOc1ccccc1C[N@H+]1CCN(CCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000441332731 984190160 /nfs/dbraw/zinc/19/01/60/984190160.db2.gz RTJYRKGITGWQMP-KRWDZBQOSA-N 1 1 412.559 3.553 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000441332387 984190264 /nfs/dbraw/zinc/19/02/64/984190264.db2.gz JVMWRYRIXMBUBT-RBBKRZOGSA-N 1 1 421.541 3.869 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)C[N@H+](C)C1CCC1)c1ccc2c(c1)OCO2 ZINC000441346282 984199717 /nfs/dbraw/zinc/19/97/17/984199717.db2.gz NGKPWQGYLYRSQE-UHFFFAOYSA-N 1 1 408.498 3.998 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441407017 984235719 /nfs/dbraw/zinc/23/57/19/984235719.db2.gz ZBOOSHALJMXFPZ-IMSXRSKXSA-N 1 1 408.590 3.887 20 30 HHEDMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cccs1 ZINC000441924328 984543409 /nfs/dbraw/zinc/54/34/09/984543409.db2.gz JVPOBUDBGWTSRL-OXQOHEQNSA-N 1 1 424.570 3.687 20 30 HHEDMO N#Cc1cc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1OC(F)(F)F ZINC000442194694 984716537 /nfs/dbraw/zinc/71/65/37/984716537.db2.gz DGEQSHLDGDWKCF-UHFFFAOYSA-N 1 1 404.392 3.807 20 30 HHEDMO N#Cc1ccc(OC2CN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)cc1 ZINC000461728412 984743219 /nfs/dbraw/zinc/74/32/19/984743219.db2.gz OKQLLNGBLRVCSZ-IBGZPJMESA-N 1 1 404.514 3.655 20 30 HHEDMO C[C@H](C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000462017895 984996309 /nfs/dbraw/zinc/99/63/09/984996309.db2.gz RUBZEQZPTQRTOF-SFHVURJKSA-N 1 1 402.498 3.587 20 30 HHEDMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000443010348 985334009 /nfs/dbraw/zinc/33/40/09/985334009.db2.gz DIQYPDSIFHTTHP-UZLBHIALSA-N 1 1 401.507 3.543 20 30 HHEDMO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2=O)ccc1Br ZINC000462358495 985346251 /nfs/dbraw/zinc/34/62/51/985346251.db2.gz PRTKJMRECBPVJF-SFHVURJKSA-N 1 1 402.267 3.663 20 30 HHEDMO C[C@H](c1ccsc1)[NH+]1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000462467910 985426642 /nfs/dbraw/zinc/42/66/42/985426642.db2.gz WNEITBSBMNFELX-MRXNPFEDSA-N 1 1 400.573 3.681 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462470516 985428284 /nfs/dbraw/zinc/42/82/84/985428284.db2.gz ZWSDLAZVXNGPKK-HUUCEWRRSA-N 1 1 414.600 3.876 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462470515 985428388 /nfs/dbraw/zinc/42/83/88/985428388.db2.gz ZWSDLAZVXNGPKK-GJZGRUSLSA-N 1 1 414.600 3.876 20 30 HHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCCN(c4nc(C)ccc4C#N)C3)cc2)c1C ZINC000462781323 985716425 /nfs/dbraw/zinc/71/64/25/985716425.db2.gz RLFHUGAJZZBHEU-FQEVSTJZSA-N 1 1 414.513 3.919 20 30 HHEDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000443674047 985881287 /nfs/dbraw/zinc/88/12/87/985881287.db2.gz KLCBQTFZEDKHGN-BGYRXZFFSA-N 1 1 421.541 3.756 20 30 HHEDMO COc1cccc(-c2noc([C@H](C)[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)n2)c1 ZINC000463208616 986180157 /nfs/dbraw/zinc/18/01/57/986180157.db2.gz XZZNZQRMCSOWFT-KRWDZBQOSA-N 1 1 417.513 3.932 20 30 HHEDMO N#CC1(CS(=O)(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCCCC1 ZINC000444064442 986267049 /nfs/dbraw/zinc/26/70/49/986267049.db2.gz KDLNNBMFGHVVTE-LJQANCHMSA-N 1 1 409.983 3.870 20 30 HHEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000463357636 986323278 /nfs/dbraw/zinc/32/32/78/986323278.db2.gz BNXAYPXSXJOLKU-CQSZACIVSA-N 1 1 419.319 3.941 20 30 HHEDMO Cc1cc(CCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000463480596 986456908 /nfs/dbraw/zinc/45/69/08/986456908.db2.gz HCPFWTDWZKQBGD-UHFFFAOYSA-N 1 1 410.949 3.980 20 30 HHEDMO CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000468946601 986650089 /nfs/dbraw/zinc/65/00/89/986650089.db2.gz LLHRAUDBMAKDGN-OAQYLSRUSA-N 1 1 400.482 3.950 20 30 HHEDMO CCOC(=O)c1c(C)oc2nc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)nc(N)c21 ZINC000444582284 986769174 /nfs/dbraw/zinc/76/91/74/986769174.db2.gz JHSDEKUXQLGQRS-UHFFFAOYSA-N 1 1 407.474 3.572 20 30 HHEDMO CCOC(=O)c1c(C)oc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)nc(N)c21 ZINC000444582284 986769188 /nfs/dbraw/zinc/76/91/88/986769188.db2.gz JHSDEKUXQLGQRS-UHFFFAOYSA-N 1 1 407.474 3.572 20 30 HHEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000444754956 986916935 /nfs/dbraw/zinc/91/69/35/986916935.db2.gz VFTYGNRIJQYVAH-RTBURBONSA-N 1 1 412.578 3.724 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000444806735 986962828 /nfs/dbraw/zinc/96/28/28/986962828.db2.gz WZOUWWAEXWRFGO-DLBZAZTESA-N 1 1 409.452 3.776 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000444806735 986962833 /nfs/dbraw/zinc/96/28/33/986962833.db2.gz WZOUWWAEXWRFGO-DLBZAZTESA-N 1 1 409.452 3.776 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000444806735 986962838 /nfs/dbraw/zinc/96/28/38/986962838.db2.gz WZOUWWAEXWRFGO-DLBZAZTESA-N 1 1 409.452 3.776 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469338139 987044744 /nfs/dbraw/zinc/04/47/44/987044744.db2.gz NAVBPZPJSGIUJX-XXBNENTESA-N 1 1 417.557 3.987 20 30 HHEDMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000469740129 987391517 /nfs/dbraw/zinc/39/15/17/987391517.db2.gz UQYNXFIGSMRJBW-INIZCTEOSA-N 1 1 409.433 3.755 20 30 HHEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000469740129 987391521 /nfs/dbraw/zinc/39/15/21/987391521.db2.gz UQYNXFIGSMRJBW-INIZCTEOSA-N 1 1 409.433 3.755 20 30 HHEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000469754852 987408272 /nfs/dbraw/zinc/40/82/72/987408272.db2.gz ZPDXXFSWXZAEGY-LLVKDONJSA-N 1 1 406.280 3.829 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000469758583 987411971 /nfs/dbraw/zinc/41/19/71/987411971.db2.gz RWKYTRCHDDCSAU-ZZYHAFTGSA-N 1 1 404.558 3.679 20 30 HHEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000470019119 987630841 /nfs/dbraw/zinc/63/08/41/987630841.db2.gz RLGCZQCPTUWPDE-QGZVFWFLSA-N 1 1 404.297 3.635 20 30 HHEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000470019119 987630846 /nfs/dbraw/zinc/63/08/46/987630846.db2.gz RLGCZQCPTUWPDE-QGZVFWFLSA-N 1 1 404.297 3.635 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1C ZINC000470165146 988078225 /nfs/dbraw/zinc/07/82/25/988078225.db2.gz FJEHPCGBCSESOY-NRFANRHFSA-N 1 1 405.546 3.827 20 30 HHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470541057 988548368 /nfs/dbraw/zinc/54/83/68/988548368.db2.gz DRXOUHBLJVYOMO-FQEVSTJZSA-N 1 1 411.550 3.608 20 30 HHEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000464495598 988668683 /nfs/dbraw/zinc/66/86/83/988668683.db2.gz CBXNMBFFIPRVGM-MRXNPFEDSA-N 1 1 417.575 3.881 20 30 HHEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470803573 988864544 /nfs/dbraw/zinc/86/45/44/988864544.db2.gz QTWYATKLBSMQFZ-HOTGVXAUSA-N 1 1 423.355 3.822 20 30 HHEDMO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470803573 988864565 /nfs/dbraw/zinc/86/45/65/988864565.db2.gz QTWYATKLBSMQFZ-HOTGVXAUSA-N 1 1 423.355 3.822 20 30 HHEDMO COc1cc(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000464698975 988908177 /nfs/dbraw/zinc/90/81/77/988908177.db2.gz IHLKRIURGPILAF-NRFANRHFSA-N 1 1 417.431 3.638 20 30 HHEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCCC3(CCC3)C1)CCCC2 ZINC000470870043 988939085 /nfs/dbraw/zinc/93/90/85/988939085.db2.gz OSJVABCZMDMIHL-GOSISDBHSA-N 1 1 410.562 3.622 20 30 HHEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCCC3(CCC3)C1)CCCC2 ZINC000470870043 988939095 /nfs/dbraw/zinc/93/90/95/988939095.db2.gz OSJVABCZMDMIHL-GOSISDBHSA-N 1 1 410.562 3.622 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783151 989012081 /nfs/dbraw/zinc/01/20/81/989012081.db2.gz GTUFUTFFFKXCSJ-GOSISDBHSA-N 1 1 422.485 3.773 20 30 HHEDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464824130 989061257 /nfs/dbraw/zinc/06/12/57/989061257.db2.gz UFWPRGJPGYFZMN-ICSRJNTNSA-N 1 1 408.458 3.704 20 30 HHEDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000464824130 989061270 /nfs/dbraw/zinc/06/12/70/989061270.db2.gz UFWPRGJPGYFZMN-ICSRJNTNSA-N 1 1 408.458 3.704 20 30 HHEDMO Cc1c(F)cccc1NC(=O)CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471003335 989070363 /nfs/dbraw/zinc/07/03/63/989070363.db2.gz DOPYTWQBFYUFHC-NRFANRHFSA-N 1 1 414.912 3.999 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000464833869 989074287 /nfs/dbraw/zinc/07/42/87/989074287.db2.gz SHJLJIXNJIDHLY-VJBWXMMDSA-N 1 1 406.526 3.935 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000464833869 989074296 /nfs/dbraw/zinc/07/42/96/989074296.db2.gz SHJLJIXNJIDHLY-VJBWXMMDSA-N 1 1 406.526 3.935 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000464842570 989089120 /nfs/dbraw/zinc/08/91/20/989089120.db2.gz JBZJCJCOZCANLZ-QPPBQGQZSA-N 1 1 424.585 3.760 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)c(OC)c1 ZINC000464842570 989089127 /nfs/dbraw/zinc/08/91/27/989089127.db2.gz JBZJCJCOZCANLZ-QPPBQGQZSA-N 1 1 424.585 3.760 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)c(OC)c1 ZINC000464842570 989089137 /nfs/dbraw/zinc/08/91/37/989089137.db2.gz JBZJCJCOZCANLZ-QPPBQGQZSA-N 1 1 424.585 3.760 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1C#N ZINC000464846641 989097569 /nfs/dbraw/zinc/09/75/69/989097569.db2.gz BESPBGYDBUJCRA-KNQAVFIVSA-N 1 1 424.520 3.603 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000464853432 989106808 /nfs/dbraw/zinc/10/68/08/989106808.db2.gz DRQIFMFBHVVYNU-OUMXJLHTSA-N 1 1 412.335 3.725 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+](C)CC12CCCCC2 ZINC000471038008 989112731 /nfs/dbraw/zinc/11/27/31/989112731.db2.gz INTKADCOBULZQN-SFHVURJKSA-N 1 1 400.592 3.827 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[N@H+](C)CC23CCCCC3)c1C#N ZINC000471039082 989114749 /nfs/dbraw/zinc/11/47/49/989114749.db2.gz TVUPPCJICPAXGO-UHFFFAOYSA-N 1 1 423.561 3.507 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000464946601 989239437 /nfs/dbraw/zinc/23/94/37/989239437.db2.gz YTJFOWACXGNLIE-HSZRJFAPSA-N 1 1 421.589 3.717 20 30 HHEDMO Cc1ccc(-c2noc(CCC[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)n2)cc1F ZINC000471153845 989270003 /nfs/dbraw/zinc/27/00/03/989270003.db2.gz ZRPYMSMXYXQUPY-QFIPXVFZSA-N 1 1 419.504 3.999 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1C ZINC000465188782 989525160 /nfs/dbraw/zinc/52/51/60/989525160.db2.gz BMLHKIJJPXSZLA-HXUWFJFHSA-N 1 1 407.562 3.788 20 30 HHEDMO N#Cc1ccccc1CSCCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471534181 989733344 /nfs/dbraw/zinc/73/33/44/989733344.db2.gz WEPFEBOLKQTGIZ-ZRZAMGCNSA-N 1 1 420.582 3.565 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCOc3ccc(C#N)cc3)cc2)C1 ZINC000465583014 989954554 /nfs/dbraw/zinc/95/45/54/989954554.db2.gz UDBNSDAKTWYJEJ-IBGZPJMESA-N 1 1 406.530 3.668 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000465637972 990024787 /nfs/dbraw/zinc/02/47/87/990024787.db2.gz QTGDGGRBVFISEB-RPWUZVMVSA-N 1 1 418.541 3.500 20 30 HHEDMO C=CCc1cc(CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc(OC)c1OC ZINC000465804800 990187118 /nfs/dbraw/zinc/18/71/18/990187118.db2.gz CEWMQEXKSJVEFZ-UHFFFAOYSA-N 1 1 424.545 3.604 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000466146027 991329256 /nfs/dbraw/zinc/32/92/56/991329256.db2.gz ZXPSWAZYUYEGCI-GOSISDBHSA-N 1 1 421.545 3.664 20 30 HHEDMO N#Cc1ccc(F)c(CNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000466202302 991401518 /nfs/dbraw/zinc/40/15/18/991401518.db2.gz ZVJUGUYKXGXYHD-UHFFFAOYSA-N 1 1 400.885 3.768 20 30 HHEDMO N#Cc1ccc(F)c(CNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000466202302 991401522 /nfs/dbraw/zinc/40/15/22/991401522.db2.gz ZVJUGUYKXGXYHD-UHFFFAOYSA-N 1 1 400.885 3.768 20 30 HHEDMO C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000466432621 991721192 /nfs/dbraw/zinc/72/11/92/991721192.db2.gz YDCFSKJVXGDUIN-KRWDZBQOSA-N 1 1 412.484 3.857 20 30 HHEDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000466468270 991759007 /nfs/dbraw/zinc/75/90/07/991759007.db2.gz CYMBCFQRTGDOBM-OALUTQOASA-N 1 1 412.578 3.868 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)CCC2CCOCC2)c1C#N ZINC000466472179 991763335 /nfs/dbraw/zinc/76/33/35/991763335.db2.gz WLGQUBZSROMUBW-UHFFFAOYSA-N 1 1 412.509 3.792 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CCC2CCOCC2)c1C#N ZINC000466476352 991768123 /nfs/dbraw/zinc/76/81/23/991768123.db2.gz WYTFCSCFWFAUAG-UHFFFAOYSA-N 1 1 408.546 3.712 20 30 HHEDMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ncccc3OCCCC#N)CC2)cc1 ZINC000466594898 991911207 /nfs/dbraw/zinc/91/12/07/991911207.db2.gz DZBYFGGHIOFZPV-UHFFFAOYSA-N 1 1 423.517 3.513 20 30 HHEDMO C[C@@H]1C[C@H](NC(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466611531 991928343 /nfs/dbraw/zinc/92/83/43/991928343.db2.gz VAHUNUGZBRQACW-UYAOXDASSA-N 1 1 407.518 3.939 20 30 HHEDMO C[C@H]1C[C@H](NC(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466611528 991928418 /nfs/dbraw/zinc/92/84/18/991928418.db2.gz VAHUNUGZBRQACW-AZUAARDMSA-N 1 1 407.518 3.939 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@@H]1C ZINC000467148923 992465203 /nfs/dbraw/zinc/46/52/03/992465203.db2.gz NXHXDZZXPBBTQH-UWJYYQICSA-N 1 1 407.562 3.709 20 30 HHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)C1 ZINC000467440241 992736629 /nfs/dbraw/zinc/73/66/29/992736629.db2.gz QGYQCIGTTYJUGA-OAHLLOKOSA-N 1 1 419.934 3.733 20 30 HHEDMO C[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC000467486174 992774576 /nfs/dbraw/zinc/77/45/76/992774576.db2.gz NMQDUGYIGNFULR-WMLDXEAASA-N 1 1 400.429 3.944 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)C2)n1 ZINC000472158240 993209252 /nfs/dbraw/zinc/20/92/52/993209252.db2.gz QJCWUYQJBBHLTJ-XPNTWCBSSA-N 1 1 423.605 3.591 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](N3CCCCC3)C2)c1C#N ZINC000472251245 993278165 /nfs/dbraw/zinc/27/81/65/993278165.db2.gz XMUIIQOMUJKDBJ-FQEVSTJZSA-N 1 1 423.561 3.507 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](N3CCCCC3)C2)c1C#N ZINC000472251245 993278168 /nfs/dbraw/zinc/27/81/68/993278168.db2.gz XMUIIQOMUJKDBJ-FQEVSTJZSA-N 1 1 423.561 3.507 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472300419 993313808 /nfs/dbraw/zinc/31/38/08/993313808.db2.gz PZTUHAKBBHFLCH-JRFVFWCSSA-N 1 1 402.542 3.990 20 30 HHEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000472341382 993347820 /nfs/dbraw/zinc/34/78/20/993347820.db2.gz WSQHJQSKKXSNLB-FQEVSTJZSA-N 1 1 403.448 3.739 20 30 HHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000472341382 993347824 /nfs/dbraw/zinc/34/78/24/993347824.db2.gz WSQHJQSKKXSNLB-FQEVSTJZSA-N 1 1 403.448 3.739 20 30 HHEDMO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000480751770 993618954 /nfs/dbraw/zinc/61/89/54/993618954.db2.gz VRPWSFLIVKTIBG-UHFFFAOYSA-N 1 1 402.292 3.617 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000472703079 993625421 /nfs/dbraw/zinc/62/54/21/993625421.db2.gz ULSCWKKRFQYHAM-QFIPXVFZSA-N 1 1 406.530 3.731 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c(Br)c1 ZINC000480777826 993644571 /nfs/dbraw/zinc/64/45/71/993644571.db2.gz INZNEVKBNLNLGH-UHFFFAOYSA-N 1 1 416.294 3.854 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)nnc1-c1ccco1 ZINC000480787590 993655339 /nfs/dbraw/zinc/65/53/39/993655339.db2.gz DQZMLZHAWNCKJE-IAGOWNOFSA-N 1 1 417.579 3.585 20 30 HHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000472727955 993657055 /nfs/dbraw/zinc/65/70/55/993657055.db2.gz GYHMEVKIBMJALY-SJORKVTESA-N 1 1 406.324 3.887 20 30 HHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000472727955 993657061 /nfs/dbraw/zinc/65/70/61/993657061.db2.gz GYHMEVKIBMJALY-SJORKVTESA-N 1 1 406.324 3.887 20 30 HHEDMO CCS[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000480972087 993813043 /nfs/dbraw/zinc/81/30/43/993813043.db2.gz PVSNKHRRXNTPAE-SFHVURJKSA-N 1 1 406.596 3.559 20 30 HHEDMO CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000480972087 993813053 /nfs/dbraw/zinc/81/30/53/993813053.db2.gz PVSNKHRRXNTPAE-SFHVURJKSA-N 1 1 406.596 3.559 20 30 HHEDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)nc1 ZINC000481062779 993903279 /nfs/dbraw/zinc/90/32/79/993903279.db2.gz UHHLLENGRJBRIM-UHFFFAOYSA-N 1 1 413.319 3.875 20 30 HHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000481113212 993949268 /nfs/dbraw/zinc/94/92/68/993949268.db2.gz IHZJKDTUXQXFNJ-FQEVSTJZSA-N 1 1 409.578 3.999 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000481583530 994424728 /nfs/dbraw/zinc/42/47/28/994424728.db2.gz BVHKNVOYJSDGRI-QHCPKHFHSA-N 1 1 410.468 3.716 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000481588074 994432787 /nfs/dbraw/zinc/43/27/87/994432787.db2.gz SBBLDZQTPWJRSR-NYHFZMIOSA-N 1 1 416.468 3.690 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481684437 994545058 /nfs/dbraw/zinc/54/50/58/994545058.db2.gz FAWUBDPWVCYPHV-CLOONOSVSA-N 1 1 419.525 3.852 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481684437 994545074 /nfs/dbraw/zinc/54/50/74/994545074.db2.gz FAWUBDPWVCYPHV-CLOONOSVSA-N 1 1 419.525 3.852 20 30 HHEDMO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)CC[N@H+]2C2CC2)c1 ZINC000482013305 994920954 /nfs/dbraw/zinc/92/09/54/994920954.db2.gz CKIDKGCVFNPORD-GOTSBHOMSA-N 1 1 401.510 3.958 20 30 HHEDMO CCN(C(=O)NCCOc1ccc(C#N)cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474035587 995026122 /nfs/dbraw/zinc/02/61/22/995026122.db2.gz UKWNEPWNWPZUDH-SIKLNZKXSA-N 1 1 406.530 3.804 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474503690 995463630 /nfs/dbraw/zinc/46/36/30/995463630.db2.gz XRZIAYPEQBKDKK-HSZRJFAPSA-N 1 1 409.505 3.727 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474503690 995463633 /nfs/dbraw/zinc/46/36/33/995463633.db2.gz 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CNMFBMZAUGVQPP-WOJBJXKFSA-N 1 1 409.534 3.598 20 30 HHEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000477069645 997718813 /nfs/dbraw/zinc/71/88/13/997718813.db2.gz CNMFBMZAUGVQPP-WOJBJXKFSA-N 1 1 409.534 3.598 20 30 HHEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000485419770 997854074 /nfs/dbraw/zinc/85/40/74/997854074.db2.gz GDAFEPPUNBZAEO-INIZCTEOSA-N 1 1 416.576 3.508 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H](NCc3ccccc3C[NH+]3CCCCC3)C2=O)cc1 ZINC000485441451 997883013 /nfs/dbraw/zinc/88/30/13/997883013.db2.gz WWQLJBHPQOFTJE-DEOSSOPVSA-N 1 1 402.542 3.829 20 30 HHEDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000477286700 997969218 /nfs/dbraw/zinc/96/92/18/997969218.db2.gz UQRFNYUOGJELSR-GOSISDBHSA-N 1 1 411.468 3.840 20 30 HHEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000485806352 998274478 /nfs/dbraw/zinc/27/44/78/998274478.db2.gz XDCVSIVVXFOWCN-NHYWBVRUSA-N 1 1 408.449 3.761 20 30 HHEDMO C[C@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[N@@H+](C)Cc1ccccc1 ZINC000478273022 998857069 /nfs/dbraw/zinc/85/70/69/998857069.db2.gz MIVONEUSJVEYII-MSOLQXFVSA-N 1 1 424.570 3.656 20 30 HHEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000486657812 998879909 /nfs/dbraw/zinc/87/99/09/998879909.db2.gz OQKIGHHZWJBPLO-HXUWFJFHSA-N 1 1 403.526 3.803 20 30 HHEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478333005 998895164 /nfs/dbraw/zinc/89/51/64/998895164.db2.gz AMXJEFPLFMHBRM-KRWDZBQOSA-N 1 1 412.578 3.711 20 30 HHEDMO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000486794005 998942603 /nfs/dbraw/zinc/94/26/03/998942603.db2.gz YSDMAENNQDSVNP-LJQANCHMSA-N 1 1 414.550 3.930 20 30 HHEDMO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000486794005 998942606 /nfs/dbraw/zinc/94/26/06/998942606.db2.gz YSDMAENNQDSVNP-LJQANCHMSA-N 1 1 414.550 3.930 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCC[C@@H]2CSC)cc1 ZINC000486801965 998946268 /nfs/dbraw/zinc/94/62/68/998946268.db2.gz RYECUJZMIWABRY-GOSISDBHSA-N 1 1 412.559 3.740 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCC[C@@H]2CSC)cc1 ZINC000486801965 998946270 /nfs/dbraw/zinc/94/62/70/998946270.db2.gz RYECUJZMIWABRY-GOSISDBHSA-N 1 1 412.559 3.740 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000478613382 999047147 /nfs/dbraw/zinc/04/71/47/999047147.db2.gz DGGGDZQECWCCDK-INIZCTEOSA-N 1 1 416.953 3.653 20 30 HHEDMO C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000478748472 999120697 /nfs/dbraw/zinc/12/06/97/999120697.db2.gz IYTKECLGUFAPOG-GOSISDBHSA-N 1 1 421.541 3.866 20 30 HHEDMO CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)CC2)nc1 ZINC000487398348 999160318 /nfs/dbraw/zinc/16/03/18/999160318.db2.gz JXEMEQMYZZNFQT-UHFFFAOYSA-N 1 1 406.530 3.772 20 30 HHEDMO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1C(C)(C)C#N ZINC000487411131 999165684 /nfs/dbraw/zinc/16/56/84/999165684.db2.gz HNDZISMYDMJSLG-UHFFFAOYSA-N 1 1 401.308 3.716 20 30 HHEDMO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1C(C)(C)C#N ZINC000487411131 999165691 /nfs/dbraw/zinc/16/56/91/999165691.db2.gz HNDZISMYDMJSLG-UHFFFAOYSA-N 1 1 401.308 3.716 20 30 HHEDMO CC[N@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000487429080 999173652 /nfs/dbraw/zinc/17/36/52/999173652.db2.gz LTXQQPUBTYSSSK-MRXNPFEDSA-N 1 1 402.502 3.982 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000487429080 999173654 /nfs/dbraw/zinc/17/36/54/999173654.db2.gz LTXQQPUBTYSSSK-MRXNPFEDSA-N 1 1 402.502 3.982 20 30 HHEDMO CCC[N@@H+](C)[C@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccc(Cl)cc1 ZINC000478984138 999234112 /nfs/dbraw/zinc/23/41/12/999234112.db2.gz JWNVQLCKOXXPAM-GOSISDBHSA-N 1 1 402.930 3.963 20 30 HHEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487882030 999303315 /nfs/dbraw/zinc/30/33/15/999303315.db2.gz ODJGNGAQCOTOKJ-UHFFFAOYSA-N 1 1 405.296 3.900 20 30 HHEDMO C[N@@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000479196557 999321467 /nfs/dbraw/zinc/32/14/67/999321467.db2.gz XTRRVCVYNQKIDD-XPPIMPSXSA-N 1 1 418.541 3.947 20 30 HHEDMO C[N@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000479196557 999321470 /nfs/dbraw/zinc/32/14/70/999321470.db2.gz XTRRVCVYNQKIDD-XPPIMPSXSA-N 1 1 418.541 3.947 20 30 HHEDMO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)[NH+](C)C ZINC000487969425 999331328 /nfs/dbraw/zinc/33/13/28/999331328.db2.gz PMMDWEJERRXSKE-KRWDZBQOSA-N 1 1 417.307 3.754 20 30 HHEDMO COc1ccc([C@@H]([NH2+]CC#Cc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000479492711 999442859 /nfs/dbraw/zinc/44/28/59/999442859.db2.gz ZMONZNMZLMJMTP-XMMPIXPASA-N 1 1 405.519 3.829 20 30 HHEDMO COC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000488472208 999498470 /nfs/dbraw/zinc/49/84/70/999498470.db2.gz DHDKIZDMBHMCSF-WOJBJXKFSA-N 1 1 417.431 3.655 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000488490849 999505499 /nfs/dbraw/zinc/50/54/99/999505499.db2.gz UXPLWDZCFSAWBC-KNQAVFIVSA-N 1 1 421.541 3.753 20 30 HHEDMO C=CCC[C@H](C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC)c1ccccc1 ZINC000488692053 999575101 /nfs/dbraw/zinc/57/51/01/999575101.db2.gz ATERVSYVLBWAQS-NRFANRHFSA-N 1 1 421.541 3.771 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488910114 999644251 /nfs/dbraw/zinc/64/42/51/999644251.db2.gz HDLOYNPWFHLVRF-MRXNPFEDSA-N 1 1 401.507 3.550 20 30 HHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H](C)C1 ZINC000488915772 999646128 /nfs/dbraw/zinc/64/61/28/999646128.db2.gz KLAWMWFLXUZZTK-SWXALCLLSA-N 1 1 410.562 3.620 20 30 HHEDMO Cc1ccc2c(ncc(C#N)c2N2CC[NH+](Cc3ccccn3)CC2)c1Br ZINC000479942284 999656943 /nfs/dbraw/zinc/65/69/43/999656943.db2.gz SWQKTYAHLAZHLN-UHFFFAOYSA-N 1 1 422.330 3.895 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1Cl ZINC000489013465 999671754 /nfs/dbraw/zinc/67/17/54/999671754.db2.gz NERKZWMJKXCSIU-MRXNPFEDSA-N 1 1 402.857 3.618 20 30 HHEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000489203420 999721662 /nfs/dbraw/zinc/72/16/62/999721662.db2.gz FPVVACNPBXOABC-GOSISDBHSA-N 1 1 417.575 3.833 20 30 HHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000489499798 999778973 /nfs/dbraw/zinc/77/89/73/999778973.db2.gz RAIIREQLJFVBDT-OAHLLOKOSA-N 1 1 400.910 3.922 20 30 HHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000489499798 999778974 /nfs/dbraw/zinc/77/89/74/999778974.db2.gz RAIIREQLJFVBDT-OAHLLOKOSA-N 1 1 400.910 3.922 20 30 HHEDMO COc1cc(N[C@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)cc(OC)c1 ZINC000490030238 999881142 /nfs/dbraw/zinc/88/11/42/999881142.db2.gz ZMHXCRRWFRNEOH-INIZCTEOSA-N 1 1 414.531 3.542 20 30 HHEDMO CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000490676342 999991978 /nfs/dbraw/zinc/99/19/78/999991978.db2.gz RHANYWDFAYDXGO-UHFFFAOYSA-N 1 1 424.545 3.627 20 30 HHEDMO Cn1cc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491110214 1000046283 /nfs/dbraw/zinc/04/62/83/1000046283.db2.gz CDBJFCAPLODRLE-UHFFFAOYSA-N 1 1 403.505 3.806 20 30 HHEDMO Cn1cc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491110214 1000046284 /nfs/dbraw/zinc/04/62/84/1000046284.db2.gz CDBJFCAPLODRLE-UHFFFAOYSA-N 1 1 403.505 3.806 20 30 HHEDMO Cn1cc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491110214 1000046287 /nfs/dbraw/zinc/04/62/87/1000046287.db2.gz CDBJFCAPLODRLE-UHFFFAOYSA-N 1 1 403.505 3.806 20 30 HHEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000492211012 1000115566 /nfs/dbraw/zinc/11/55/66/1000115566.db2.gz PJAAANQHHIUKLU-PXNSSMCTSA-N 1 1 406.486 3.917 20 30 HHEDMO COCC[N@H+](C)CCCC1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000492723458 1000141145 /nfs/dbraw/zinc/14/11/45/1000141145.db2.gz QHKNOMUQHLIVLB-UHFFFAOYSA-N 1 1 408.384 3.891 20 30 HHEDMO COCC[N@@H+](C)CCCC1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000492723458 1000141147 /nfs/dbraw/zinc/14/11/47/1000141147.db2.gz QHKNOMUQHLIVLB-UHFFFAOYSA-N 1 1 408.384 3.891 20 30 HHEDMO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)c1 ZINC000493966823 1000242221 /nfs/dbraw/zinc/24/22/21/1000242221.db2.gz MCVIYGQEQDYXHW-HXUWFJFHSA-N 1 1 417.488 3.616 20 30 HHEDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000504541164 1000259234 /nfs/dbraw/zinc/25/92/34/1000259234.db2.gz ZASQIFDHOCOGRH-IBGZPJMESA-N 1 1 416.443 3.671 20 30 HHEDMO COCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cc(Br)cs1 ZINC000494126488 1000319374 /nfs/dbraw/zinc/31/93/74/1000319374.db2.gz NJMDIHWKEAYAAF-UHFFFAOYSA-N 1 1 422.348 3.859 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000494202195 1000360009 /nfs/dbraw/zinc/36/00/09/1000360009.db2.gz RZEULHNOBYPLGI-DEOSSOPVSA-N 1 1 407.562 3.517 20 30 HHEDMO COCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Br)s1 ZINC000494244292 1000384314 /nfs/dbraw/zinc/38/43/14/1000384314.db2.gz HTOJNMIVQDBWSK-UHFFFAOYSA-N 1 1 422.348 3.859 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H](OCC3CC3)C2)c1C#N ZINC000494702887 1000612245 /nfs/dbraw/zinc/61/22/45/1000612245.db2.gz MAPRPOGZJOHZBJ-HXUWFJFHSA-N 1 1 424.545 3.838 20 30 HHEDMO CC(C)c1nc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)no1 ZINC000505211757 1000621774 /nfs/dbraw/zinc/62/17/74/1000621774.db2.gz VCZOKUGHBFLBKB-MRXNPFEDSA-N 1 1 413.497 3.847 20 30 HHEDMO C=CCN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000505264532 1000655943 /nfs/dbraw/zinc/65/59/43/1000655943.db2.gz CZUPSCNWRZPNAK-RPBOFIJWSA-N 1 1 414.553 3.851 20 30 HHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000494793740 1000660043 /nfs/dbraw/zinc/66/00/43/1000660043.db2.gz WAMGRUNPBVJAMG-QRVBRYPASA-N 1 1 412.578 3.867 20 30 HHEDMO N#C[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(Cl)c1Cl ZINC000505330427 1000706178 /nfs/dbraw/zinc/70/61/78/1000706178.db2.gz KESCORGYIARGRF-LPHOPBHVSA-N 1 1 418.324 3.965 20 30 HHEDMO N#C[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(Cl)c1Cl ZINC000505330427 1000706192 /nfs/dbraw/zinc/70/61/92/1000706192.db2.gz KESCORGYIARGRF-LPHOPBHVSA-N 1 1 418.324 3.965 20 30 HHEDMO CC1(C)C[N@H+](C2(CNC(=O)NC3(c4cccc(C#N)c4)CC3)CCCCC2)CCO1 ZINC000495255615 1000939862 /nfs/dbraw/zinc/93/98/62/1000939862.db2.gz JAVWUAXAUFIGIV-UHFFFAOYSA-N 1 1 410.562 3.660 20 30 HHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000505660895 1000961354 /nfs/dbraw/zinc/96/13/54/1000961354.db2.gz MWGHFFJNNVYFPA-HSZRJFAPSA-N 1 1 418.541 3.716 20 30 HHEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O ZINC000495450489 1001016665 /nfs/dbraw/zinc/01/66/65/1001016665.db2.gz QMALMSXCCNTFDP-MSOLQXFVSA-N 1 1 403.592 3.946 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1C#N ZINC000495460007 1001019940 /nfs/dbraw/zinc/01/99/40/1001019940.db2.gz HZSHSUMTOSLCMY-FCHUYYIVSA-N 1 1 422.573 3.692 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1C#N ZINC000495460007 1001019944 /nfs/dbraw/zinc/01/99/44/1001019944.db2.gz HZSHSUMTOSLCMY-FCHUYYIVSA-N 1 1 422.573 3.692 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000505919863 1001102225 /nfs/dbraw/zinc/10/22/25/1001102225.db2.gz VXWOUNICAIOKEX-TZIWHRDSSA-N 1 1 413.562 3.839 20 30 HHEDMO N#Cc1ccc(CCC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000506133447 1001239732 /nfs/dbraw/zinc/23/97/32/1001239732.db2.gz YOXHBMVPQTUOLQ-UHFFFAOYSA-N 1 1 414.509 3.927 20 30 HHEDMO CCOc1c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)nn1CC(C)C ZINC000506283135 1001327678 /nfs/dbraw/zinc/32/76/78/1001327678.db2.gz YNKDJFFTEFKWJA-UHFFFAOYSA-N 1 1 409.578 3.826 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000497393557 1001332284 /nfs/dbraw/zinc/33/22/84/1001332284.db2.gz YEJQNMIAAOCRJJ-MSOLQXFVSA-N 1 1 405.608 3.526 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000497397134 1001335155 /nfs/dbraw/zinc/33/51/55/1001335155.db2.gz MCQLGZUZHCJQDA-UXLLHSPISA-N 1 1 404.942 3.555 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000497397134 1001335159 /nfs/dbraw/zinc/33/51/59/1001335159.db2.gz MCQLGZUZHCJQDA-UXLLHSPISA-N 1 1 404.942 3.555 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000497400299 1001338879 /nfs/dbraw/zinc/33/88/79/1001338879.db2.gz IWYBDUVJRXJDSX-BGYRXZFFSA-N 1 1 411.546 3.829 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000497400299 1001338883 /nfs/dbraw/zinc/33/88/83/1001338883.db2.gz IWYBDUVJRXJDSX-BGYRXZFFSA-N 1 1 411.546 3.829 20 30 HHEDMO N#Cc1ccc(N2CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)CC2)nc1 ZINC000506435064 1001410948 /nfs/dbraw/zinc/41/09/48/1001410948.db2.gz XEXBTJKCQKVMNE-UHFFFAOYSA-N 1 1 402.473 3.994 20 30 HHEDMO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC000506462598 1001424080 /nfs/dbraw/zinc/42/40/80/1001424080.db2.gz IXGYNZVYKJFMGK-IBGZPJMESA-N 1 1 424.545 3.661 20 30 HHEDMO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC000506462598 1001424081 /nfs/dbraw/zinc/42/40/81/1001424081.db2.gz IXGYNZVYKJFMGK-IBGZPJMESA-N 1 1 424.545 3.661 20 30 HHEDMO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000506489009 1001436726 /nfs/dbraw/zinc/43/67/26/1001436726.db2.gz TVIHUNWMYSKDJD-SFHVURJKSA-N 1 1 412.509 3.792 20 30 HHEDMO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000506489009 1001436730 /nfs/dbraw/zinc/43/67/30/1001436730.db2.gz TVIHUNWMYSKDJD-SFHVURJKSA-N 1 1 412.509 3.792 20 30 HHEDMO Cc1cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nn1-c1cccc(C#N)c1 ZINC000506504793 1001443483 /nfs/dbraw/zinc/44/34/83/1001443483.db2.gz YCPBORVESGIJSI-NQIIRXRSSA-N 1 1 405.546 3.779 20 30 HHEDMO CCOc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)ccc1OCC(F)(F)F ZINC000506660186 1001486057 /nfs/dbraw/zinc/48/60/57/1001486057.db2.gz AISILBCGHRYJLG-UHFFFAOYSA-N 1 1 420.435 3.615 20 30 HHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000498417214 1001846731 /nfs/dbraw/zinc/84/67/31/1001846731.db2.gz NRALLNOOCPJVJI-FCHUYYIVSA-N 1 1 412.484 3.856 20 30 HHEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000498417214 1001846746 /nfs/dbraw/zinc/84/67/46/1001846746.db2.gz NRALLNOOCPJVJI-FCHUYYIVSA-N 1 1 412.484 3.856 20 30 HHEDMO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cc1F ZINC000507216069 1001904574 /nfs/dbraw/zinc/90/45/74/1001904574.db2.gz TWSZQOYJPKMSHZ-ZUZCIYMTSA-N 1 1 408.296 3.977 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)c1C#N ZINC000507241312 1001926611 /nfs/dbraw/zinc/92/66/11/1001926611.db2.gz XWHNBTJKZPIQGK-UHFFFAOYSA-N 1 1 420.492 3.646 20 30 HHEDMO COc1cccc([C@@H]2[C@H](NC(=O)NC3(c4cccc(C#N)c4)CC3)CC[N@H+]2C2CC2)c1 ZINC000498526744 1001948031 /nfs/dbraw/zinc/94/80/31/1001948031.db2.gz BNCKHBUOGKTQDJ-DHIUTWEWSA-N 1 1 416.525 3.833 20 30 HHEDMO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000507723766 1002310829 /nfs/dbraw/zinc/31/08/29/1002310829.db2.gz ILMHVGRSJDZZAM-AWEZNQCLSA-N 1 1 404.486 3.605 20 30 HHEDMO COc1cccc([C@H](C)[NH+]2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)c1 ZINC000507724121 1002310772 /nfs/dbraw/zinc/31/07/72/1002310772.db2.gz JDIFXWUAFFUEFS-SFHVURJKSA-N 1 1 424.570 3.628 20 30 HHEDMO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000507724081 1002311064 /nfs/dbraw/zinc/31/10/64/1002311064.db2.gz ILMHVGRSJDZZAM-CQSZACIVSA-N 1 1 404.486 3.605 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000498926082 1002323815 /nfs/dbraw/zinc/32/38/15/1002323815.db2.gz AVSCWBDYFWXEMQ-QUCCMNQESA-N 1 1 420.561 3.814 20 30 HHEDMO 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HHEDMO COc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1OCc1ccccc1 ZINC000546259126 1009281999 /nfs/dbraw/zinc/28/19/99/1009281999.db2.gz QOQGYJVVBILQSC-UHFFFAOYSA-N 1 1 414.509 3.863 20 30 HHEDMO N#CCC1CC[NH+](CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)CC1 ZINC000543811301 1009372724 /nfs/dbraw/zinc/37/27/24/1009372724.db2.gz QGTUSVFSYYHAJZ-UHFFFAOYSA-N 1 1 413.909 3.507 20 30 HHEDMO Cn1cc(-c2ccc(C[NH+]3CCN(c4oc(-c5ccco5)nc4C#N)CC3)s2)cn1 ZINC000549801778 1009408169 /nfs/dbraw/zinc/40/81/69/1009408169.db2.gz XNCYUQYUHLRBER-UHFFFAOYSA-N 1 1 420.498 3.590 20 30 HHEDMO N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)n2)c(F)c1 ZINC000543887782 1009464852 /nfs/dbraw/zinc/46/48/52/1009464852.db2.gz HVHCJQZHUXCMQH-LJQANCHMSA-N 1 1 418.476 3.669 20 30 HHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543889087 1009467212 /nfs/dbraw/zinc/46/72/12/1009467212.db2.gz AHRHNIJPJNNMHI-CABCVRRESA-N 1 1 400.914 3.639 20 30 HHEDMO 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RKNDRGRHOXXPED-UHFFFAOYSA-N 1 1 408.498 3.795 20 30 HHEDMO N#C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc(Cl)c1Cl ZINC000521293551 1010284765 /nfs/dbraw/zinc/28/47/65/1010284765.db2.gz XXOCQVHWOLLMJH-QAPCUYQASA-N 1 1 403.313 3.981 20 30 HHEDMO COc1cc(C#N)ccc1NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000547417929 1010295921 /nfs/dbraw/zinc/29/59/21/1010295921.db2.gz VHWQXSMBPDKAPN-HXUWFJFHSA-N 1 1 403.404 3.960 20 30 HHEDMO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000521530478 1010441206 /nfs/dbraw/zinc/44/12/06/1010441206.db2.gz IERBEHGXPPXLQC-SFHVURJKSA-N 1 1 410.493 3.984 20 30 HHEDMO N#Cc1cccc(COc2cccc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)c2)c1 ZINC000544930366 1010500228 /nfs/dbraw/zinc/50/02/28/1010500228.db2.gz PJBCACUYJLTWMT-UHFFFAOYSA-N 1 1 409.493 3.726 20 30 HHEDMO N#Cc1c(F)cc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000521685570 1010550134 /nfs/dbraw/zinc/55/01/34/1010550134.db2.gz HDWITUXVXLJGNQ-HXUWFJFHSA-N 1 1 423.385 3.907 20 30 HHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000548824197 1010738157 /nfs/dbraw/zinc/73/81/57/1010738157.db2.gz MCFHPSKOCXTAQD-QFIPXVFZSA-N 1 1 417.557 3.559 20 30 HHEDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000522075026 1010793780 /nfs/dbraw/zinc/79/37/80/1010793780.db2.gz LEGBFPCQSAZKDQ-UHFFFAOYSA-N 1 1 418.541 3.638 20 30 HHEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522758684 1011199469 /nfs/dbraw/zinc/19/94/69/1011199469.db2.gz JGPHLCNCAKDHQB-AEFFLSMTSA-N 1 1 417.497 3.702 20 30 HHEDMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1)CC1CC1 ZINC000536130039 1011252749 /nfs/dbraw/zinc/25/27/49/1011252749.db2.gz HVLDGBBXSSICSP-UHFFFAOYSA-N 1 1 409.983 3.734 20 30 HHEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000522846213 1011286734 /nfs/dbraw/zinc/28/67/34/1011286734.db2.gz QYAGQTNATRWBMJ-LJQANCHMSA-N 1 1 421.545 3.746 20 30 HHEDMO CC(C)(C#N)CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000540667947 1011322680 /nfs/dbraw/zinc/32/26/80/1011322680.db2.gz PXPXWFKXYOTQQQ-UHFFFAOYSA-N 1 1 416.875 3.855 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000540712165 1011362926 /nfs/dbraw/zinc/36/29/26/1011362926.db2.gz JEFINWHDFINLRF-DEOSSOPVSA-N 1 1 424.545 3.540 20 30 HHEDMO N#Cc1cccc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 ZINC000522936064 1011378182 /nfs/dbraw/zinc/37/81/82/1011378182.db2.gz BHPBMWAAGOSXLG-UHFFFAOYSA-N 1 1 405.483 3.912 20 30 HHEDMO Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000523159614 1011640200 /nfs/dbraw/zinc/64/02/00/1011640200.db2.gz LJJPTJRWQTUQFB-UHFFFAOYSA-N 1 1 400.482 3.870 20 30 HHEDMO Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000523159614 1011640210 /nfs/dbraw/zinc/64/02/10/1011640210.db2.gz LJJPTJRWQTUQFB-UHFFFAOYSA-N 1 1 400.482 3.870 20 30 HHEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536475396 1011691529 /nfs/dbraw/zinc/69/15/29/1011691529.db2.gz HRFCOLCMEPNYPS-FQEVSTJZSA-N 1 1 403.526 3.840 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536487099 1011699108 /nfs/dbraw/zinc/69/91/08/1011699108.db2.gz ZULKAAVLGOGYHU-NRFANRHFSA-N 1 1 408.590 3.706 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536487099 1011699117 /nfs/dbraw/zinc/69/91/17/1011699117.db2.gz ZULKAAVLGOGYHU-NRFANRHFSA-N 1 1 408.590 3.706 20 30 HHEDMO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)c(Cl)c1 ZINC000541101357 1011748169 /nfs/dbraw/zinc/74/81/69/1011748169.db2.gz OENQVQRHDKVUDT-QFBILLFUSA-N 1 1 424.936 3.878 20 30 HHEDMO C=CCOc1c(Br)cc(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)cc1OC ZINC000536670260 1011823992 /nfs/dbraw/zinc/82/39/92/1011823992.db2.gz OKVQPRSSVODFPZ-OAHLLOKOSA-N 1 1 424.335 3.798 20 30 HHEDMO C=CC[N@H+](Cc1nc2ccc(Cl)cc2n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674083 1011833166 /nfs/dbraw/zinc/83/31/66/1011833166.db2.gz NYQQSMVEUNMUKF-HNNXBMFYSA-N 1 1 407.909 3.952 20 30 HHEDMO C=CC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674083 1011833185 /nfs/dbraw/zinc/83/31/85/1011833185.db2.gz NYQQSMVEUNMUKF-HNNXBMFYSA-N 1 1 407.909 3.952 20 30 HHEDMO N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)C(N)=O)cc1 ZINC000523736183 1012354593 /nfs/dbraw/zinc/35/45/93/1012354593.db2.gz UAXLUDVCWQTVGT-RUZDIDTESA-N 1 1 421.504 3.786 20 30 HHEDMO N#Cc1cc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cnc1C(F)(F)F ZINC000552371246 1012380471 /nfs/dbraw/zinc/38/04/71/1012380471.db2.gz WKFAIYKKWCCIRJ-OAQYLSRUSA-N 1 1 414.431 3.710 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H](C)C1 ZINC000523784057 1012433230 /nfs/dbraw/zinc/43/32/30/1012433230.db2.gz DBBVCRUILKVDPI-HYBUGGRVSA-N 1 1 420.557 3.740 20 30 HHEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1C1CCCCC1 ZINC000537356966 1012824855 /nfs/dbraw/zinc/82/48/55/1012824855.db2.gz INZJUSUQPAVDRZ-UHFFFAOYSA-N 1 1 405.546 3.917 20 30 HHEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1C1CCCCC1 ZINC000537356966 1012824861 /nfs/dbraw/zinc/82/48/61/1012824861.db2.gz INZJUSUQPAVDRZ-UHFFFAOYSA-N 1 1 405.546 3.917 20 30 HHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000542032114 1012929907 /nfs/dbraw/zinc/92/99/07/1012929907.db2.gz IRHGBGFCIDJGJQ-UHFFFAOYSA-N 1 1 412.513 3.859 20 30 HHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542035716 1012934849 /nfs/dbraw/zinc/93/48/49/1012934849.db2.gz PDIDTTMLWICKIC-GASCZTMLSA-N 1 1 400.914 3.782 20 30 HHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000552998198 1012973094 /nfs/dbraw/zinc/97/30/94/1012973094.db2.gz WWWBOOWMSKPXJN-GASCZTMLSA-N 1 1 417.479 3.519 20 30 HHEDMO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nn1CCC#N ZINC000537515596 1013029792 /nfs/dbraw/zinc/02/97/92/1013029792.db2.gz POHBVARBPPTLGV-RTWAWAEBSA-N 1 1 406.534 3.624 20 30 HHEDMO C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3Cc4ccc(OC)cc4C3)C[C@@H]2c2ccccc2)C1=O ZINC001168269430 1071879243 /nfs/dbraw/zinc/87/92/43/1071879243.db2.gz UUHCPBNFAWTLKJ-NOOIUNMQSA-N 1 1 402.538 3.667 20 30 HHEDMO COc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@]3(C1)COCCN(c1cccc(C#N)c1)C3)C2 ZINC001168272635 1072076108 /nfs/dbraw/zinc/07/61/08/1072076108.db2.gz ILXOOHFUFKIOBH-AHWVRZQESA-N 1 1 417.553 3.653 20 30 HHEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000729811862 1072121672 /nfs/dbraw/zinc/12/16/72/1072121672.db2.gz DXOQLUVLBWVEIO-INIZCTEOSA-N 1 1 407.495 3.770 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000729811862 1072121684 /nfs/dbraw/zinc/12/16/84/1072121684.db2.gz DXOQLUVLBWVEIO-INIZCTEOSA-N 1 1 407.495 3.770 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000729809517 1072125313 /nfs/dbraw/zinc/12/53/13/1072125313.db2.gz LFOJLOHYPGCZIS-DENIHFKCSA-N 1 1 424.928 3.842 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000729809520 1072125334 /nfs/dbraw/zinc/12/53/34/1072125334.db2.gz LFOJLOHYPGCZIS-SIKLNZKXSA-N 1 1 424.928 3.842 20 30 HHEDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000586754920 1072417590 /nfs/dbraw/zinc/41/75/90/1072417590.db2.gz VUSBRDCGLQJUOY-UHFFFAOYSA-N 1 1 417.488 3.724 20 30 HHEDMO C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000586806002 1072429380 /nfs/dbraw/zinc/42/93/80/1072429380.db2.gz OYRYDXKJVZXNLJ-YLJYHZDGSA-N 1 1 412.553 3.683 20 30 HHEDMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001168296167 1072450798 /nfs/dbraw/zinc/45/07/98/1072450798.db2.gz UKANXUNRNGIXCO-YADARESESA-N 1 1 419.573 3.823 20 30 HHEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 ZINC000555296618 1073327901 /nfs/dbraw/zinc/32/79/01/1073327901.db2.gz SYFQQAFZFWPKCM-UKRRQHHQSA-N 1 1 414.859 3.607 20 30 HHEDMO CCOC(=O)c1ccc(-c2ccc(C[NH+]3CCN(c4cnccc4C#N)CC3)o2)cc1 ZINC000590053332 1073528966 /nfs/dbraw/zinc/52/89/66/1073528966.db2.gz YXRKCIKFHCREIE-UHFFFAOYSA-N 1 1 416.481 3.712 20 30 HHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000590232048 1073666386 /nfs/dbraw/zinc/66/63/86/1073666386.db2.gz OOUKOGSZKDRCOF-KRWDZBQOSA-N 1 1 424.570 3.589 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(O)cc(C(F)(F)F)c3)CC2)cc1 ZINC000590415385 1073797948 /nfs/dbraw/zinc/79/79/48/1073797948.db2.gz UETKCRFXKXYIPK-UHFFFAOYSA-N 1 1 403.404 3.631 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(O)cc(C(F)(F)F)c3)CC2)cc1 ZINC000590415385 1073797954 /nfs/dbraw/zinc/79/79/54/1073797954.db2.gz UETKCRFXKXYIPK-UHFFFAOYSA-N 1 1 403.404 3.631 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000760591536 1074095678 /nfs/dbraw/zinc/09/56/78/1074095678.db2.gz UXNBCFIXJHLYGV-YADARESESA-N 1 1 420.557 3.594 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000760591536 1074095687 /nfs/dbraw/zinc/09/56/87/1074095687.db2.gz UXNBCFIXJHLYGV-YADARESESA-N 1 1 420.557 3.594 20 30 HHEDMO N#Cc1ccc(CN2CCC[N@H+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000591415670 1074280792 /nfs/dbraw/zinc/28/07/92/1074280792.db2.gz FKNCKWBNHQFQKV-AHWVRZQESA-N 1 1 419.569 3.521 20 30 HHEDMO O=C(C[N@@H+]1CCCO[C@H](c2ccccc2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000591812884 1074590664 /nfs/dbraw/zinc/59/06/64/1074590664.db2.gz CCRRGPIUMYEKSB-NRFANRHFSA-N 1 1 416.443 3.637 20 30 HHEDMO O=C(C[N@H+]1CCCO[C@H](c2ccccc2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000591812884 1074590671 /nfs/dbraw/zinc/59/06/71/1074590671.db2.gz CCRRGPIUMYEKSB-NRFANRHFSA-N 1 1 416.443 3.637 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)C[N@@H+]1CC[C@H]2C[C@H]21)c1ccc2c(c1)OCO2 ZINC000761096973 1075404885 /nfs/dbraw/zinc/40/48/85/1075404885.db2.gz TUKAWQNSWOBRSI-FXAWDEMLSA-N 1 1 406.482 3.608 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)C[N@H+]1CC[C@H]2C[C@H]21)c1ccc2c(c1)OCO2 ZINC000761096973 1075404888 /nfs/dbraw/zinc/40/48/88/1075404888.db2.gz TUKAWQNSWOBRSI-FXAWDEMLSA-N 1 1 406.482 3.608 20 30 HHEDMO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cc1F ZINC000575097054 1075476644 /nfs/dbraw/zinc/47/66/44/1075476644.db2.gz PZJVEOLQUGZBIW-LBPRGKRZSA-N 1 1 411.296 3.584 20 30 HHEDMO N#C[C@@H](C(=O)C[N@@H+]1CCCC[C@H]1CCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000761123535 1075495891 /nfs/dbraw/zinc/49/58/91/1075495891.db2.gz PUAWBFCBWYMPQD-FPOVZHCZSA-N 1 1 414.509 3.999 20 30 HHEDMO N#C[C@@H](C(=O)C[N@H+]1CCCC[C@H]1CCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000761123535 1075495896 /nfs/dbraw/zinc/49/58/96/1075495896.db2.gz PUAWBFCBWYMPQD-FPOVZHCZSA-N 1 1 414.509 3.999 20 30 HHEDMO CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000761195746 1075583909 /nfs/dbraw/zinc/58/39/09/1075583909.db2.gz NCSTWRDQFRHHIZ-UHFFFAOYSA-N 1 1 409.534 3.532 20 30 HHEDMO CSc1nc(Cl)c(C=NO)c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625249 719067252 /nfs/dbraw/zinc/06/72/52/719067252.db2.gz NBRKZSAAPFYFMV-WBVHZDCISA-N 1 1 417.966 3.761 20 30 HHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164628410 719069009 /nfs/dbraw/zinc/06/90/09/719069009.db2.gz RPWRDASOSHNTJU-FXAWDEMLSA-N 1 1 424.932 3.884 20 30 HHEDMO N#Cc1c2c(cnc1N1CCC3(CC1)C[N@@H+](Cc1cccs1)CCO3)CCCC2 ZINC001164706812 719910086 /nfs/dbraw/zinc/91/00/86/719910086.db2.gz KPAWQIJRUGRENX-UHFFFAOYSA-N 1 1 408.571 3.765 20 30 HHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1Cl)CC2 ZINC001164711566 720097432 /nfs/dbraw/zinc/09/74/32/720097432.db2.gz QXDSTSLDOVFUPI-IBGZPJMESA-N 1 1 411.937 3.509 20 30 HHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@@H]21 ZINC001164839235 720601869 /nfs/dbraw/zinc/60/18/69/720601869.db2.gz MQLRDCUHXBUPOU-QTEQDKRBSA-N 1 1 400.530 3.681 20 30 HHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@@H]21 ZINC001164839234 720602820 /nfs/dbraw/zinc/60/28/20/720602820.db2.gz MQLRDCUHXBUPOU-JTAQYXEDSA-N 1 1 400.530 3.681 20 30 HHEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879431 721149339 /nfs/dbraw/zinc/14/93/39/721149339.db2.gz SDQZIVFZKZILOX-WOJBJXKFSA-N 1 1 417.538 3.556 20 30 HHEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5cc(F)ccc5c(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164768009 721246041 /nfs/dbraw/zinc/24/60/41/721246041.db2.gz XKTJDAWZTIDLAW-HOTGVXAUSA-N 1 1 424.911 3.591 20 30 HHEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912407 721536826 /nfs/dbraw/zinc/53/68/26/721536826.db2.gz ZPKHVUKKDWNFAK-WBVHZDCISA-N 1 1 422.838 3.633 20 30 HHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2C#N)[C@H]2CCCO[C@H]12 ZINC001164809917 721554780 /nfs/dbraw/zinc/55/47/80/721554780.db2.gz YBGKMEZJWJOVSN-KSZLIROESA-N 1 1 418.328 3.523 20 30 HHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2C#N)[C@H]2CCCO[C@H]12 ZINC001164809917 721554786 /nfs/dbraw/zinc/55/47/86/721554786.db2.gz YBGKMEZJWJOVSN-KSZLIROESA-N 1 1 418.328 3.523 20 30 HHEDMO N#Cc1cnc2cc[nH]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c1-2 ZINC001164904298 721719611 /nfs/dbraw/zinc/71/96/11/721719611.db2.gz BLSSXJIMVZEXHB-NRFANRHFSA-N 1 1 408.456 3.567 20 30 HHEDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934314 721890798 /nfs/dbraw/zinc/89/07/98/721890798.db2.gz OSAVIURLXCTIRQ-SJORKVTESA-N 1 1 404.345 3.628 20 30 HHEDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934314 721890800 /nfs/dbraw/zinc/89/08/00/721890800.db2.gz OSAVIURLXCTIRQ-SJORKVTESA-N 1 1 404.345 3.628 20 30 HHEDMO CCOC(=O)c1cc(C)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164995246 722196595 /nfs/dbraw/zinc/19/65/95/722196595.db2.gz SVKDEHLICMIMDW-DEOSSOPVSA-N 1 1 422.504 3.822 20 30 HHEDMO N#Cc1cc(C(F)(F)F)ccc1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000301642482 971012351 /nfs/dbraw/zinc/01/23/51/971012351.db2.gz ZISCJFFVNAULHA-KRWDZBQOSA-N 1 1 416.447 3.886 20 30 HHEDMO N#Cc1ccnc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC000301662472 971019440 /nfs/dbraw/zinc/01/94/40/971019440.db2.gz UZYSQONRNVBUEK-UHFFFAOYSA-N 1 1 405.380 3.957 20 30 HHEDMO N#Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nc2ccc([N+](=O)[O-])cc12 ZINC000302612587 971264054 /nfs/dbraw/zinc/26/40/54/971264054.db2.gz BSYOWCXNNGWYOX-HXUWFJFHSA-N 1 1 417.469 3.583 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000302858699 971358559 /nfs/dbraw/zinc/35/85/59/971358559.db2.gz SOTOMHAMRHXAAH-LJQANCHMSA-N 1 1 404.514 3.672 20 30 HHEDMO CC(C)[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000303286329 971598989 /nfs/dbraw/zinc/59/89/89/971598989.db2.gz AEUZVFWHVXWCTC-QFIPXVFZSA-N 1 1 408.502 3.829 20 30 HHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)o2)cc1 ZINC000537562649 1013096134 /nfs/dbraw/zinc/09/61/34/1013096134.db2.gz CRUIDPXTJAKGAL-IBGZPJMESA-N 1 1 411.469 3.773 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cc2)C1 ZINC000524298123 1013109051 /nfs/dbraw/zinc/10/90/51/1013109051.db2.gz RSUHBNHUPPSAOE-QGZVFWFLSA-N 1 1 414.513 3.810 20 30 HHEDMO Cc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000303463728 971767376 /nfs/dbraw/zinc/76/73/76/971767376.db2.gz MFDSEGSUGZGTHJ-UHFFFAOYSA-N 1 1 420.513 3.503 20 30 HHEDMO Cc1cccnc1[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000303633152 971913180 /nfs/dbraw/zinc/91/31/80/971913180.db2.gz FWIBDVWLWJIWKT-JOCHJYFZSA-N 1 1 405.546 3.876 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000303753803 972006095 /nfs/dbraw/zinc/00/60/95/972006095.db2.gz GAEXDKUYINNZOS-NRFANRHFSA-N 1 1 404.558 3.756 20 30 HHEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303761881 972011162 /nfs/dbraw/zinc/01/11/62/972011162.db2.gz ORUDMORACBHSDU-LAUBAEHRSA-N 1 1 420.557 3.720 20 30 HHEDMO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)n2c1 ZINC000537626465 1013176493 /nfs/dbraw/zinc/17/64/93/1013176493.db2.gz UDPBCPWUNFGCII-UHFFFAOYSA-N 1 1 411.868 3.849 20 30 HHEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000303882036 972422570 /nfs/dbraw/zinc/42/25/70/972422570.db2.gz RESRDSDRHUYRAL-WOJBJXKFSA-N 1 1 409.534 3.598 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000553253761 1013220298 /nfs/dbraw/zinc/22/02/98/1013220298.db2.gz YTFLPURPHQFIGF-PXNSSMCTSA-N 1 1 424.570 3.829 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000553253763 1013220874 /nfs/dbraw/zinc/22/08/74/1013220874.db2.gz YTFLPURPHQFIGF-YLJYHZDGSA-N 1 1 424.570 3.829 20 30 HHEDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1nc2c(cc1C#N)CCCC2(C)C ZINC000553268940 1013232921 /nfs/dbraw/zinc/23/29/21/1013232921.db2.gz GQLUQONQRKVZTQ-GHTZIAJQSA-N 1 1 406.578 3.820 20 30 HHEDMO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008311677 961514521 /nfs/dbraw/zinc/51/45/21/961514521.db2.gz UFAKMIWDRZLNEJ-RUZDIDTESA-N 1 1 413.525 3.780 20 30 HHEDMO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008311677 961514544 /nfs/dbraw/zinc/51/45/44/961514544.db2.gz UFAKMIWDRZLNEJ-RUZDIDTESA-N 1 1 413.525 3.780 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CCOc2ccccc2)c1C#N ZINC000008471337 961544421 /nfs/dbraw/zinc/54/44/21/961544421.db2.gz KJIJBTYGACTTIP-UHFFFAOYSA-N 1 1 416.525 3.974 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CCOc2ccccc2)c1C#N ZINC000008471337 961544427 /nfs/dbraw/zinc/54/44/27/961544427.db2.gz KJIJBTYGACTTIP-UHFFFAOYSA-N 1 1 416.525 3.974 20 30 HHEDMO COc1ccc(OCC[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000011432555 962086475 /nfs/dbraw/zinc/08/64/75/962086475.db2.gz PMVPPBXBXGDZHD-UHFFFAOYSA-N 1 1 413.543 3.847 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)cc1 ZINC000022819149 963722812 /nfs/dbraw/zinc/72/28/12/963722812.db2.gz XAWISRLQTWCWCZ-UHFFFAOYSA-N 1 1 413.521 3.861 20 30 HHEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)cc1 ZINC000022819149 963722815 /nfs/dbraw/zinc/72/28/15/963722815.db2.gz XAWISRLQTWCWCZ-UHFFFAOYSA-N 1 1 413.521 3.861 20 30 HHEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)cc1 ZINC000022819149 963722819 /nfs/dbraw/zinc/72/28/19/963722819.db2.gz XAWISRLQTWCWCZ-UHFFFAOYSA-N 1 1 413.521 3.861 20 30 HHEDMO Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c12 ZINC000023753774 963884663 /nfs/dbraw/zinc/88/46/63/963884663.db2.gz NTOAVIIOEDLTIW-UHFFFAOYSA-N 1 1 415.497 3.628 20 30 HHEDMO Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c12 ZINC000023753774 963884665 /nfs/dbraw/zinc/88/46/65/963884665.db2.gz NTOAVIIOEDLTIW-UHFFFAOYSA-N 1 1 415.497 3.628 20 30 HHEDMO CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051058925 964455214 /nfs/dbraw/zinc/45/52/14/964455214.db2.gz AHURILVKMOIEQK-SFTDATJTSA-N 1 1 412.578 3.567 20 30 HHEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000553613768 1013498535 /nfs/dbraw/zinc/49/85/35/1013498535.db2.gz INBXUAQTUCDSEW-UHFFFAOYSA-N 1 1 407.436 3.813 20 30 HHEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccco1 ZINC000026448853 964566520 /nfs/dbraw/zinc/56/65/20/964566520.db2.gz NDRROJVDYARORM-UHFFFAOYSA-N 1 1 401.532 3.959 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000052636215 964940610 /nfs/dbraw/zinc/94/06/10/964940610.db2.gz GHHKPVOQHKFCDL-JOCHJYFZSA-N 1 1 408.546 3.961 20 30 HHEDMO CCCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000052722266 964965406 /nfs/dbraw/zinc/96/54/06/964965406.db2.gz NKFVHNADBDKQCB-HNNXBMFYSA-N 1 1 404.942 3.557 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801233 964988979 /nfs/dbraw/zinc/98/89/79/964988979.db2.gz XMEVACDVHIVZPA-MRXNPFEDSA-N 1 1 414.456 3.699 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801233 964988986 /nfs/dbraw/zinc/98/89/86/964988986.db2.gz XMEVACDVHIVZPA-MRXNPFEDSA-N 1 1 414.456 3.699 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1Cl ZINC000052801298 964989002 /nfs/dbraw/zinc/98/90/02/964989002.db2.gz FSJSDEBFIGRZLZ-UHFFFAOYSA-N 1 1 407.905 3.624 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000052909994 965018413 /nfs/dbraw/zinc/01/84/13/965018413.db2.gz OENPKHNLKBHAKT-MRXNPFEDSA-N 1 1 407.580 3.640 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000028891575 965208070 /nfs/dbraw/zinc/20/80/70/965208070.db2.gz VPNKPXMUGVQTSH-UHFFFAOYSA-N 1 1 416.447 3.723 20 30 HHEDMO C[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028894558 965209488 /nfs/dbraw/zinc/20/94/88/965209488.db2.gz QSYNTUQPBWIGCX-UHFFFAOYSA-N 1 1 405.285 3.764 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028894558 965209498 /nfs/dbraw/zinc/20/94/98/965209498.db2.gz QSYNTUQPBWIGCX-UHFFFAOYSA-N 1 1 405.285 3.764 20 30 HHEDMO COc1ccc2cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c(C)nc2c1 ZINC000029985557 965583934 /nfs/dbraw/zinc/58/39/34/965583934.db2.gz AAGSUYOHHLGABC-UHFFFAOYSA-N 1 1 414.509 3.772 20 30 HHEDMO COc1ccc2cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c(C)nc2c1 ZINC000029985557 965583945 /nfs/dbraw/zinc/58/39/45/965583945.db2.gz AAGSUYOHHLGABC-UHFFFAOYSA-N 1 1 414.509 3.772 20 30 HHEDMO CC(C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)[NH+]1CCOCC1 ZINC000032058015 966185558 /nfs/dbraw/zinc/18/55/58/966185558.db2.gz VTEJYQAQKHIQHZ-FQEVSTJZSA-N 1 1 409.555 3.796 20 30 HHEDMO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000553818404 1013635034 /nfs/dbraw/zinc/63/50/34/1013635034.db2.gz ODSMPHIKVJUGBW-QGZVFWFLSA-N 1 1 407.514 3.726 20 30 HHEDMO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000553818404 1013635039 /nfs/dbraw/zinc/63/50/39/1013635039.db2.gz ODSMPHIKVJUGBW-QGZVFWFLSA-N 1 1 407.514 3.726 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000542723623 1013635377 /nfs/dbraw/zinc/63/53/77/1013635377.db2.gz YPQOTTQDTKEKKL-HROJSSOGSA-N 1 1 413.525 3.630 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 ZINC000062046418 966606707 /nfs/dbraw/zinc/60/67/07/966606707.db2.gz HQUKHSPITGNMLA-MRXNPFEDSA-N 1 1 424.932 3.841 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042684150 966828435 /nfs/dbraw/zinc/82/84/35/966828435.db2.gz STDJQVQEAXLQMG-IBGZPJMESA-N 1 1 413.525 3.641 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000063403725 966845847 /nfs/dbraw/zinc/84/58/47/966845847.db2.gz SWEPLAHSCNVXBJ-FQEVSTJZSA-N 1 1 418.541 3.677 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000063403725 966845854 /nfs/dbraw/zinc/84/58/54/966845854.db2.gz SWEPLAHSCNVXBJ-FQEVSTJZSA-N 1 1 418.541 3.677 20 30 HHEDMO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000553895845 1013683214 /nfs/dbraw/zinc/68/32/14/1013683214.db2.gz QLJWJNKBDRGRFU-IERDGZPVSA-N 1 1 415.331 3.863 20 30 HHEDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000553895845 1013683218 /nfs/dbraw/zinc/68/32/18/1013683218.db2.gz QLJWJNKBDRGRFU-IERDGZPVSA-N 1 1 415.331 3.863 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cn4cccn4)c3)CC2)cc1 ZINC000044247910 967175251 /nfs/dbraw/zinc/17/52/51/967175251.db2.gz QWCLNMAIFOYWKQ-UHFFFAOYSA-N 1 1 414.513 3.543 20 30 HHEDMO COc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000045103206 967355011 /nfs/dbraw/zinc/35/50/11/967355011.db2.gz REHKSCPEXBKKEB-KRWDZBQOSA-N 1 1 410.493 3.684 20 30 HHEDMO C[N@@H+](CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC000065444738 967468784 /nfs/dbraw/zinc/46/87/84/967468784.db2.gz AGRNBSSWMLRNLI-UHFFFAOYSA-N 1 1 406.408 3.753 20 30 HHEDMO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)o1 ZINC000048166330 968467108 /nfs/dbraw/zinc/46/71/08/968467108.db2.gz HRNFQWQKTCSVSG-IBGZPJMESA-N 1 1 405.454 3.890 20 30 HHEDMO COc1cccc(NC2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000554175936 1013837115 /nfs/dbraw/zinc/83/71/15/1013837115.db2.gz CDSSMXDOPIMLIP-IBGZPJMESA-N 1 1 406.530 3.907 20 30 HHEDMO CCOc1cccc([C@H]2C[C@@H]2NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000538304549 1013838374 /nfs/dbraw/zinc/83/83/74/1013838374.db2.gz IGMKGDXIFBTWSJ-RPWUZVMVSA-N 1 1 418.541 3.730 20 30 HHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000109574355 969536385 /nfs/dbraw/zinc/53/63/85/969536385.db2.gz ZFMXTEQGUIZTBE-NHCUHLMSSA-N 1 1 407.558 3.969 20 30 HHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000109574355 969536390 /nfs/dbraw/zinc/53/63/90/969536390.db2.gz ZFMXTEQGUIZTBE-NHCUHLMSSA-N 1 1 407.558 3.969 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1ccccc1C#N ZINC000111041235 969765147 /nfs/dbraw/zinc/76/51/47/969765147.db2.gz SIRYDFREKBHCKS-UHFFFAOYSA-N 1 1 405.477 3.981 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000116499965 969899981 /nfs/dbraw/zinc/89/99/81/969899981.db2.gz AUNGKSNWSYUGIR-MRXNPFEDSA-N 1 1 400.486 3.550 20 30 HHEDMO C[C@@H](OC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1 ZINC000116609125 969909252 /nfs/dbraw/zinc/90/92/52/969909252.db2.gz KEJKNZPLLKFUSB-UZLBHIALSA-N 1 1 417.912 3.611 20 30 HHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000116676009 969913785 /nfs/dbraw/zinc/91/37/85/969913785.db2.gz XWKRSZVMVUHNRC-HOCLYGCPSA-N 1 1 406.552 3.716 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCSCc2ccccc2C#N)cc1F ZINC000195659830 969938105 /nfs/dbraw/zinc/93/81/05/969938105.db2.gz LZFYSBYDMSKOEO-UHFFFAOYSA-N 1 1 423.517 3.924 20 30 HHEDMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)N(CCC#N)c1ccccc1 ZINC000137535793 969979788 /nfs/dbraw/zinc/97/97/88/969979788.db2.gz XRYLVEDQENHMKG-UHFFFAOYSA-N 1 1 416.319 3.707 20 30 HHEDMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N(CCC#N)c1ccccc1 ZINC000137535793 969979795 /nfs/dbraw/zinc/97/97/95/969979795.db2.gz XRYLVEDQENHMKG-UHFFFAOYSA-N 1 1 416.319 3.707 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000138519189 969999946 /nfs/dbraw/zinc/99/99/46/969999946.db2.gz VGNFMWRVLJDSBP-UHFFFAOYSA-N 1 1 411.575 3.534 20 30 HHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000229496364 970129944 /nfs/dbraw/zinc/12/99/44/970129944.db2.gz JKTYKPSBUNSQCF-IFMALSPDSA-N 1 1 418.541 3.665 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000147726726 970338590 /nfs/dbraw/zinc/33/85/90/970338590.db2.gz HRPSYSWJQHJKBY-UHFFFAOYSA-N 1 1 407.449 3.557 20 30 HHEDMO C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554634572 1013995498 /nfs/dbraw/zinc/99/54/98/1013995498.db2.gz VARFLPOPXNYUQV-UHFFFAOYSA-N 1 1 413.566 3.705 20 30 HHEDMO CC(C)[C@@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000248170311 970517567 /nfs/dbraw/zinc/51/75/67/970517567.db2.gz RLXPIZNXUFSHBA-RUZDIDTESA-N 1 1 404.558 3.579 20 30 HHEDMO COCCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(C#N)cc1 ZINC000554729800 1014033626 /nfs/dbraw/zinc/03/36/26/1014033626.db2.gz JAKMQWMUECXMLS-OAQYLSRUSA-N 1 1 413.468 3.695 20 30 HHEDMO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000409492339 972943060 /nfs/dbraw/zinc/94/30/60/972943060.db2.gz PVRUQMQRSONJCY-UONOGXRCSA-N 1 1 415.481 3.508 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)C[C@H](C)O1 ZINC000409711586 973183894 /nfs/dbraw/zinc/18/38/94/973183894.db2.gz LODLWPFYHABNAI-HDICACEKSA-N 1 1 415.497 3.605 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)C[C@H](C)O1 ZINC000409711586 973183900 /nfs/dbraw/zinc/18/39/00/973183900.db2.gz LODLWPFYHABNAI-HDICACEKSA-N 1 1 415.497 3.605 20 30 HHEDMO C=CCN1CC[C@H]([N@@H+](CC)Cc2ccc(OCc3cccs3)c(OC)c2)C1=O ZINC000410318344 973862777 /nfs/dbraw/zinc/86/27/77/973862777.db2.gz WJLXYUUOOVSFMW-IBGZPJMESA-N 1 1 400.544 3.945 20 30 HHEDMO C=CCN1CC[C@@H]([N@@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)C1=O ZINC000410369919 973964869 /nfs/dbraw/zinc/96/48/69/973964869.db2.gz QHKQNBLICMABRN-OAQYLSRUSA-N 1 1 408.477 3.615 20 30 HHEDMO C=CCN1CC[C@@H]([N@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)C1=O ZINC000410369919 973964879 /nfs/dbraw/zinc/96/48/79/973964879.db2.gz QHKQNBLICMABRN-OAQYLSRUSA-N 1 1 408.477 3.615 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN([C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000426368506 974418266 /nfs/dbraw/zinc/41/82/66/974418266.db2.gz YXPGSSWSCLWMDP-QFIPXVFZSA-N 1 1 408.933 3.525 20 30 HHEDMO N#Cc1ncn(-c2ccccc2NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000426798937 974668672 /nfs/dbraw/zinc/66/86/72/974668672.db2.gz GSUOCPADLGLIDD-QGZVFWFLSA-N 1 1 415.501 3.584 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000426832162 974696979 /nfs/dbraw/zinc/69/69/79/974696979.db2.gz GPUBIEVAKVPQQR-QHCPKHFHSA-N 1 1 413.562 3.600 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@H]1C ZINC000426985076 974799946 /nfs/dbraw/zinc/79/99/46/974799946.db2.gz DQRJPHKYCHVEPI-PXNSSMCTSA-N 1 1 420.513 3.620 20 30 HHEDMO N#CCCn1ncc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1-c1ccccc1 ZINC000428193885 975519368 /nfs/dbraw/zinc/51/93/68/975519368.db2.gz CPPAAHYNATYUNE-UHFFFAOYSA-N 1 1 413.525 3.642 20 30 HHEDMO C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000428207507 975531232 /nfs/dbraw/zinc/53/12/32/975531232.db2.gz NNXFRVOPWUUYRX-IBGZPJMESA-N 1 1 413.525 3.640 20 30 HHEDMO CCS[C@@H]1CCCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000428337975 975648720 /nfs/dbraw/zinc/64/87/20/975648720.db2.gz WPEVTGUULGDQQM-NHCUHLMSSA-N 1 1 400.592 3.840 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C2)nc1 ZINC000428770161 976042245 /nfs/dbraw/zinc/04/22/45/976042245.db2.gz DWWMXIPNFAYSGI-QHCPKHFHSA-N 1 1 412.493 3.640 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C2)nc1 ZINC000428770161 976042258 /nfs/dbraw/zinc/04/22/58/976042258.db2.gz DWWMXIPNFAYSGI-QHCPKHFHSA-N 1 1 412.493 3.640 20 30 HHEDMO CC(C)[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H](C)c1ccccc1 ZINC000428851757 976139039 /nfs/dbraw/zinc/13/90/39/976139039.db2.gz RZNUJLIBPIELBJ-FPOVZHCZSA-N 1 1 410.587 3.929 20 30 HHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)C1 ZINC000428990204 976271539 /nfs/dbraw/zinc/27/15/39/976271539.db2.gz HNRJWOSYGRKPQY-FUHIMQAGSA-N 1 1 414.619 3.879 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1C#N ZINC000429014323 976295726 /nfs/dbraw/zinc/29/57/26/976295726.db2.gz YDYBZDPDLDFMDZ-GSHUGGBRSA-N 1 1 411.594 3.692 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429032294 976316265 /nfs/dbraw/zinc/31/62/65/976316265.db2.gz WOQDHDUKEITOTK-DEOSSOPVSA-N 1 1 418.541 3.547 20 30 HHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429047569 976334121 /nfs/dbraw/zinc/33/41/21/976334121.db2.gz XLCVNDVWIMDYBJ-NRFANRHFSA-N 1 1 422.529 3.758 20 30 HHEDMO C=CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000429079294 976364228 /nfs/dbraw/zinc/36/42/28/976364228.db2.gz AGGKSNFYIMPIDB-RBBKRZOGSA-N 1 1 407.562 3.599 20 30 HHEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000429246491 976536088 /nfs/dbraw/zinc/53/60/88/976536088.db2.gz GRTMFTVACLBMPR-HNNXBMFYSA-N 1 1 412.534 3.787 20 30 HHEDMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429246643 976536178 /nfs/dbraw/zinc/53/61/78/976536178.db2.gz OYMWXFUGCFOHPF-UHFFFAOYSA-N 1 1 413.591 3.998 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C2CCC2)C[C@@H](C)C1 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/nfs/dbraw/zinc/00/64/18/977006418.db2.gz GQZKVQCEIKXDDT-UHFFFAOYSA-N 1 1 402.498 3.985 20 30 HHEDMO Cc1sc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c(C#N)c1C ZINC000429724113 977014529 /nfs/dbraw/zinc/01/45/29/977014529.db2.gz LWKUIONSEHFGSW-UHFFFAOYSA-N 1 1 401.507 3.995 20 30 HHEDMO Cc1sc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c(C#N)c1C ZINC000429724113 977014543 /nfs/dbraw/zinc/01/45/43/977014543.db2.gz LWKUIONSEHFGSW-UHFFFAOYSA-N 1 1 401.507 3.995 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000429861946 977133178 /nfs/dbraw/zinc/13/31/78/977133178.db2.gz XWUPGECHYULEBP-UHFFFAOYSA-N 1 1 418.566 3.759 20 30 HHEDMO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000430180890 977374205 /nfs/dbraw/zinc/37/42/05/977374205.db2.gz SOKSDZLWQUMUHE-SFHVURJKSA-N 1 1 403.438 3.653 20 30 HHEDMO COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000430188970 977380486 /nfs/dbraw/zinc/38/04/86/977380486.db2.gz ULVKGNFZFZEXJR-HXUWFJFHSA-N 1 1 403.438 3.653 20 30 HHEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000432489914 978844765 /nfs/dbraw/zinc/84/47/65/978844765.db2.gz NEIILZWJRZQQQR-OAQYLSRUSA-N 1 1 421.497 3.941 20 30 HHEDMO C[C@H](c1nc(Cc2ccc(F)cc2)no1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000433207223 979142185 /nfs/dbraw/zinc/14/21/85/979142185.db2.gz JQIZOJPRCLDUHU-GOSISDBHSA-N 1 1 419.504 3.940 20 30 HHEDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000433245530 979175810 /nfs/dbraw/zinc/17/58/10/979175810.db2.gz IVZSEWWZJSJTNW-HDICACEKSA-N 1 1 408.502 3.923 20 30 HHEDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000433245530 979175818 /nfs/dbraw/zinc/17/58/18/979175818.db2.gz IVZSEWWZJSJTNW-HDICACEKSA-N 1 1 408.502 3.923 20 30 HHEDMO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCO1 ZINC000433472207 979323728 /nfs/dbraw/zinc/32/37/28/979323728.db2.gz UUNQIHJBGBAUJD-GOSISDBHSA-N 1 1 408.502 3.973 20 30 HHEDMO C[N@H+](Cc1ccccc1)CC1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434842748 980438254 /nfs/dbraw/zinc/43/82/54/980438254.db2.gz LWFHNAPCLFWNOD-NRFANRHFSA-N 1 1 408.571 3.569 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434870454 980459008 /nfs/dbraw/zinc/45/90/08/980459008.db2.gz QPQGBCZTUOFMDY-UWJYYQICSA-N 1 1 408.571 3.889 20 30 HHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000434979337 980546249 /nfs/dbraw/zinc/54/62/49/980546249.db2.gz SHDGMIXWAQSTQW-WOJBJXKFSA-N 1 1 409.534 3.598 20 30 HHEDMO Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000435068378 980612308 /nfs/dbraw/zinc/61/23/08/980612308.db2.gz VFVWVZSOJGDMTP-UHFFFAOYSA-N 1 1 416.525 3.961 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435128441 980659903 /nfs/dbraw/zinc/65/99/03/980659903.db2.gz HSNAUKMHLDNYTD-OAQYLSRUSA-N 1 1 414.557 3.955 20 30 HHEDMO CCOC(=O)[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)Cc2ccccc21 ZINC000435138271 980669592 /nfs/dbraw/zinc/66/95/92/980669592.db2.gz RALNAVMRHBALCE-QFIPXVFZSA-N 1 1 415.497 3.521 20 30 HHEDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)Cc2ccccc21 ZINC000435138271 980669594 /nfs/dbraw/zinc/66/95/94/980669594.db2.gz RALNAVMRHBALCE-QFIPXVFZSA-N 1 1 415.497 3.521 20 30 HHEDMO CC(C)Oc1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1C#N ZINC000435546615 980933978 /nfs/dbraw/zinc/93/39/78/980933978.db2.gz VDKGISIJNBNRBV-GOSISDBHSA-N 1 1 422.529 3.888 20 30 HHEDMO CC(C)Oc1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1C#N ZINC000435546615 980933982 /nfs/dbraw/zinc/93/39/82/980933982.db2.gz VDKGISIJNBNRBV-GOSISDBHSA-N 1 1 422.529 3.888 20 30 HHEDMO C[N@@H+](Cc1ccccc1CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C1CCCCC1 ZINC000435627651 980966557 /nfs/dbraw/zinc/96/65/57/980966557.db2.gz RVANRTBCFWTBJW-UHFFFAOYSA-N 1 1 422.504 3.717 20 30 HHEDMO C=CCC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000435760652 981019251 /nfs/dbraw/zinc/01/92/51/981019251.db2.gz LOOMVMIRNRRMKE-HJOGWXRNSA-N 1 1 407.558 3.876 20 30 HHEDMO Cc1oc(C#N)cc1C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000436207855 981250055 /nfs/dbraw/zinc/25/00/55/981250055.db2.gz HPEOCLAPQBNKGO-QGZVFWFLSA-N 1 1 405.420 3.986 20 30 HHEDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000448251307 981654754 /nfs/dbraw/zinc/65/47/54/981654754.db2.gz DHUMPUUPYLHVAM-UHFFFAOYSA-N 1 1 414.509 3.966 20 30 HHEDMO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448378406 981735446 /nfs/dbraw/zinc/73/54/46/981735446.db2.gz YYVXXDJYLRTDET-HYBUGGRVSA-N 1 1 400.526 3.962 20 30 HHEDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000448418271 981767730 /nfs/dbraw/zinc/76/77/30/981767730.db2.gz PWDKZGZVRMYMMB-UHFFFAOYSA-N 1 1 401.470 3.574 20 30 HHEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000437150802 981799468 /nfs/dbraw/zinc/79/94/68/981799468.db2.gz LOIPHKVYCAOGGC-HNNXBMFYSA-N 1 1 410.428 3.885 20 30 HHEDMO Cn1cc[nH+]c1CC1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000448522797 981851773 /nfs/dbraw/zinc/85/17/73/981851773.db2.gz VPTOSYYRJRBUCG-UHFFFAOYSA-N 1 1 421.545 3.646 20 30 HHEDMO CCn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460173079 981945437 /nfs/dbraw/zinc/94/54/37/981945437.db2.gz PUAJYRSDNCSLDD-UHFFFAOYSA-N 1 1 416.529 3.558 20 30 HHEDMO Cc1ccc([C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000437348464 981998887 /nfs/dbraw/zinc/99/88/87/981998887.db2.gz QDGGFLZGQINYES-AVRDEDQJSA-N 1 1 400.544 3.942 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c(OC(F)F)c1 ZINC000437415252 982056607 /nfs/dbraw/zinc/05/66/07/982056607.db2.gz DMYHIVSLFIZVQY-UHFFFAOYSA-N 1 1 419.497 3.792 20 30 HHEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460281067 982057277 /nfs/dbraw/zinc/05/72/77/982057277.db2.gz MAZVRGCPNCZDTD-QFIPXVFZSA-N 1 1 400.530 3.937 20 30 HHEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460286924 982063246 /nfs/dbraw/zinc/06/32/46/982063246.db2.gz XFVGIGLXWAKGIE-LJQANCHMSA-N 1 1 400.530 3.937 20 30 HHEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460377509 982155427 /nfs/dbraw/zinc/15/54/27/982155427.db2.gz YWEVTVZYDKICHR-UHFFFAOYSA-N 1 1 402.546 3.937 20 30 HHEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000460381310 982160235 /nfs/dbraw/zinc/16/02/35/982160235.db2.gz CKHFNUDHBXKUSZ-UHFFFAOYSA-N 1 1 406.509 3.768 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460383140 982161684 /nfs/dbraw/zinc/16/16/84/982161684.db2.gz DFDTZNXOIZDCDF-ICSRJNTNSA-N 1 1 408.550 3.614 20 30 HHEDMO CN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460441438 982232059 /nfs/dbraw/zinc/23/20/59/982232059.db2.gz WTNMAHAELKLLSN-HSZRJFAPSA-N 1 1 412.541 3.732 20 30 HHEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C#N)cs2)c1 ZINC000437659146 982275572 /nfs/dbraw/zinc/27/55/72/982275572.db2.gz PBAFBPVBOXOEBT-CYBMUJFWSA-N 1 1 400.479 3.824 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C#N)cs2)c1 ZINC000437659146 982275576 /nfs/dbraw/zinc/27/55/76/982275576.db2.gz PBAFBPVBOXOEBT-CYBMUJFWSA-N 1 1 400.479 3.824 20 30 HHEDMO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460562390 982347757 /nfs/dbraw/zinc/34/77/57/982347757.db2.gz SFQMVROMPKNKKN-TZIWHRDSSA-N 1 1 411.594 3.957 20 30 HHEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460580476 982364958 /nfs/dbraw/zinc/36/49/58/982364958.db2.gz WFSCKUQNFPIVQU-RHSMWYFYSA-N 1 1 421.387 3.778 20 30 HHEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3OC(F)F)C2)nc1 ZINC000437887941 982438409 /nfs/dbraw/zinc/43/84/09/982438409.db2.gz GEPKULXNKFEDEL-QGZVFWFLSA-N 1 1 400.429 3.714 20 30 HHEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)nc1 ZINC000437887941 982438414 /nfs/dbraw/zinc/43/84/14/982438414.db2.gz GEPKULXNKFEDEL-QGZVFWFLSA-N 1 1 400.429 3.714 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000437909655 982457171 /nfs/dbraw/zinc/45/71/71/982457171.db2.gz MWUBEDPHUFUNMO-BJKOFHAPSA-N 1 1 418.541 3.865 20 30 HHEDMO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460773807 982526950 /nfs/dbraw/zinc/52/69/50/982526950.db2.gz LQOGONPVGLYSCB-GOSISDBHSA-N 1 1 421.545 3.957 20 30 HHEDMO C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[N@H+](CC)CC1 ZINC000460944716 982680935 /nfs/dbraw/zinc/68/09/35/982680935.db2.gz HTBQXGGFHRWNHL-UHFFFAOYSA-N 1 1 422.346 3.955 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460945353 982681442 /nfs/dbraw/zinc/68/14/42/982681442.db2.gz AFSBMLGHPZDJDJ-HKUYNNGSSA-N 1 1 413.566 3.847 20 30 HHEDMO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460955157 982688351 /nfs/dbraw/zinc/68/83/51/982688351.db2.gz BJUHUEPYCDJIHZ-QGZVFWFLSA-N 1 1 403.477 3.796 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461449103 983113959 /nfs/dbraw/zinc/11/39/59/983113959.db2.gz PTIFSPZDVFYOGA-NHCUHLMSSA-N 1 1 406.526 3.854 20 30 HHEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H]1C ZINC000461509548 983157380 /nfs/dbraw/zinc/15/73/80/983157380.db2.gz RRURLEAOJDPTAG-DLBZAZTESA-N 1 1 406.559 3.845 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000439231432 983321092 /nfs/dbraw/zinc/32/10/92/983321092.db2.gz CERWZUABRGEDGN-SFHVURJKSA-N 1 1 417.962 3.744 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1C#N ZINC000439303252 983354054 /nfs/dbraw/zinc/35/40/54/983354054.db2.gz WWSPCYSHWBTRFU-JOCHJYFZSA-N 1 1 424.520 3.934 20 30 HHEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439432809 983406493 /nfs/dbraw/zinc/40/64/93/983406493.db2.gz WGEIMMWWYDMJIE-OAHLLOKOSA-N 1 1 403.935 3.945 20 30 HHEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439432809 983406497 /nfs/dbraw/zinc/40/64/97/983406497.db2.gz WGEIMMWWYDMJIE-OAHLLOKOSA-N 1 1 403.935 3.945 20 30 HHEDMO C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1Cl ZINC000440061550 983628779 /nfs/dbraw/zinc/62/87/79/983628779.db2.gz KVFNGCLQUOWCFE-FPOVZHCZSA-N 1 1 424.932 3.638 20 30 HHEDMO Cc1nc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1C#N ZINC000440431142 983754985 /nfs/dbraw/zinc/75/49/85/983754985.db2.gz OSBVNBSROHVYFJ-SFHVURJKSA-N 1 1 416.447 3.788 20 30 HHEDMO CC1(c2ccc(Br)cc2)CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000440501388 983777755 /nfs/dbraw/zinc/77/77/55/983777755.db2.gz CYYVHSBUSXYSAD-IBGZPJMESA-N 1 1 412.331 3.901 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000441195419 984110043 /nfs/dbraw/zinc/11/00/43/984110043.db2.gz HPOTXIATBREZRF-ZHRRBRCNSA-N 1 1 423.561 3.643 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000441195419 984110050 /nfs/dbraw/zinc/11/00/50/984110050.db2.gz HPOTXIATBREZRF-ZHRRBRCNSA-N 1 1 423.561 3.643 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441204550 984113709 /nfs/dbraw/zinc/11/37/09/984113709.db2.gz NIYYDRDEBAPDRC-UXHICEINSA-N 1 1 424.545 3.695 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000441648455 984373490 /nfs/dbraw/zinc/37/34/90/984373490.db2.gz PRVCIRHDTHGSER-MRXNPFEDSA-N 1 1 415.497 3.798 20 30 HHEDMO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@H+]1CC[C@@H]([C@H]3CCOC3)C1)CCCC2 ZINC000441665364 984382714 /nfs/dbraw/zinc/38/27/14/984382714.db2.gz RYWFONSJEFUPQE-MOPGFXCFSA-N 1 1 418.541 3.525 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000462187490 985169503 /nfs/dbraw/zinc/16/95/03/985169503.db2.gz GISVYJCXKLIXHP-FDDCHVKYSA-N 1 1 415.493 3.981 20 30 HHEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443130675 985395404 /nfs/dbraw/zinc/39/54/04/985395404.db2.gz NQXFKHXTMQGPKC-JXFKEZNVSA-N 1 1 417.962 3.885 20 30 HHEDMO C[C@H](c1ccsc1)[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000462457427 985419748 /nfs/dbraw/zinc/41/97/48/985419748.db2.gz ZQHFYMOUXLFZEN-OAHLLOKOSA-N 1 1 402.951 3.981 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1C ZINC000443361239 985523467 /nfs/dbraw/zinc/52/34/67/985523467.db2.gz MJEFEHDHVRQDIQ-YLJYHZDGSA-N 1 1 420.513 3.620 20 30 HHEDMO COc1cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000443594612 985770721 /nfs/dbraw/zinc/77/07/21/985770721.db2.gz RJKSBWSSAHZEET-JOCHJYFZSA-N 1 1 417.513 3.650 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000468291118 985988767 /nfs/dbraw/zinc/98/87/67/985988767.db2.gz VJPCEBRBFYYASH-UHFFFAOYSA-N 1 1 410.514 3.641 20 30 HHEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C#N)c2ccc(F)cc2)C1 ZINC000443900375 986097917 /nfs/dbraw/zinc/09/79/17/986097917.db2.gz NHCCFHRXMMTRQF-NRFANRHFSA-N 1 1 404.489 3.928 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c(OC)c1 ZINC000463202754 986173541 /nfs/dbraw/zinc/17/35/41/986173541.db2.gz ZLVPOGJQNLHVGS-KDQFFHPLSA-N 1 1 417.590 3.815 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c(OC)c1 ZINC000463202752 986173800 /nfs/dbraw/zinc/17/38/00/986173800.db2.gz ZLVPOGJQNLHVGS-DODNOZFWSA-N 1 1 417.590 3.815 20 30 HHEDMO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000444036090 986233072 /nfs/dbraw/zinc/23/30/72/986233072.db2.gz XCHJCFDJSMRJTP-UHFFFAOYSA-N 1 1 401.557 3.525 20 30 HHEDMO C[N@@H+](CCc1cccc(Br)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000463420587 986391697 /nfs/dbraw/zinc/39/16/97/986391697.db2.gz ADEAMQNZVUYDHA-MRXNPFEDSA-N 1 1 404.333 3.662 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000463442217 986420549 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C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000481417667 994251256 /nfs/dbraw/zinc/25/12/56/994251256.db2.gz KIBSYPBZYFMOLW-KKSFZXQISA-N 1 1 412.534 3.903 20 30 HHEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473497003 994342559 /nfs/dbraw/zinc/34/25/59/994342559.db2.gz PTVZGUXBDRCFFU-NBGIEHNGSA-N 1 1 403.526 3.840 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccc(F)c(F)c1 ZINC000481578140 994416522 /nfs/dbraw/zinc/41/65/22/994416522.db2.gz CFKHSWCMJXEECJ-SFTDATJTSA-N 1 1 402.441 3.994 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1c(OC)cc(OC)cc1OC)c1ccc(F)c(F)c1 ZINC000481605320 994456991 /nfs/dbraw/zinc/45/69/91/994456991.db2.gz HDGXCUGAADZGEI-JOCHJYFZSA-N 1 1 420.456 3.514 20 30 HHEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481848635 994704095 /nfs/dbraw/zinc/70/40/95/994704095.db2.gz OZEOJTVCEIVDDB-KWOQKUFVSA-N 1 1 403.526 3.839 20 30 HHEDMO 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RDXVIKTWWCZYJG-APWZRJJASA-N 1 1 412.534 3.693 20 30 HHEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000485141783 997525508 /nfs/dbraw/zinc/52/55/08/997525508.db2.gz CAXWBANOWZCGKS-OTQYULQBSA-N 1 1 401.551 3.845 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(Br)ccc3F)C2=O)cc1 ZINC000485229942 997606667 /nfs/dbraw/zinc/60/66/67/997606667.db2.gz KDBAHTAGGFQLMZ-GOSISDBHSA-N 1 1 402.267 3.745 20 30 HHEDMO C[N@H+]1CC[C@H](CNC(=O)CNc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477004734 997636271 /nfs/dbraw/zinc/63/62/71/997636271.db2.gz PYVNYWGWKHXWLR-IERDGZPVSA-N 1 1 400.885 3.572 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477044324 997680331 /nfs/dbraw/zinc/68/03/31/997680331.db2.gz BFDHGAIFVINLIS-XMMPIXPASA-N 1 1 424.545 3.839 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485336858 997754063 /nfs/dbraw/zinc/75/40/63/997754063.db2.gz LREKFVGXYNXMDC-ISKFKSNPSA-N 1 1 402.542 3.873 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485336858 997754084 /nfs/dbraw/zinc/75/40/84/997754084.db2.gz LREKFVGXYNXMDC-ISKFKSNPSA-N 1 1 402.542 3.873 20 30 HHEDMO CCO[C@@H](C)c1nc(CN2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cs1 ZINC000477283276 997964583 /nfs/dbraw/zinc/96/45/83/997964583.db2.gz VLOVFOLBOVZYGF-SFHVURJKSA-N 1 1 414.575 3.699 20 30 HHEDMO C[N@H+]1CC[C@H](CNC(=O)CNc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477485258 998205991 /nfs/dbraw/zinc/20/59/91/998205991.db2.gz OUAUGCWMYDYRGB-IIBYNOLFSA-N 1 1 400.885 3.572 20 30 HHEDMO Cn1c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nc2ccc(Br)cc21 ZINC000485810859 998278952 /nfs/dbraw/zinc/27/89/52/998278952.db2.gz GVZDHHQTMILMDB-UHFFFAOYSA-N 1 1 424.346 3.920 20 30 HHEDMO Cn1c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nc2ccc(Br)cc21 ZINC000485810859 998278961 /nfs/dbraw/zinc/27/89/61/998278961.db2.gz GVZDHHQTMILMDB-UHFFFAOYSA-N 1 1 424.346 3.920 20 30 HHEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000485832555 998298358 /nfs/dbraw/zinc/29/83/58/998298358.db2.gz KIKSHBBWVODQIN-KRWDZBQOSA-N 1 1 402.947 3.924 20 30 HHEDMO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000477687607 998399958 /nfs/dbraw/zinc/39/99/58/998399958.db2.gz FVZDHCUMFOSNGJ-IBGZPJMESA-N 1 1 405.498 3.535 20 30 HHEDMO CCN(C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1)CC(F)(F)F ZINC000477713456 998434874 /nfs/dbraw/zinc/43/48/74/998434874.db2.gz DPEGGOFGOHQRHK-SFANZJOMSA-N 1 1 416.532 3.512 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1)CC(F)(F)F ZINC000477723420 998451004 /nfs/dbraw/zinc/45/10/04/998451004.db2.gz IYOAHTKUNHNWOL-AWEZNQCLSA-N 1 1 416.875 3.746 20 30 HHEDMO CSc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000486126265 998574431 /nfs/dbraw/zinc/57/44/31/998574431.db2.gz WPQNMRGFUXLYKH-UHFFFAOYSA-N 1 1 410.499 3.536 20 30 HHEDMO CSc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000486126265 998574436 /nfs/dbraw/zinc/57/44/36/998574436.db2.gz WPQNMRGFUXLYKH-UHFFFAOYSA-N 1 1 410.499 3.536 20 30 HHEDMO C=CCSc1ccccc1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000486210061 998648986 /nfs/dbraw/zinc/64/89/86/998648986.db2.gz ABJBERMTLPFYCX-FQEVSTJZSA-N 1 1 423.582 3.592 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000486263415 998683424 /nfs/dbraw/zinc/68/34/24/998683424.db2.gz ZVOOHUDWHAVOMS-NQIIRXRSSA-N 1 1 422.525 3.754 20 30 HHEDMO C=CCSc1ccccc1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000486419585 998758397 /nfs/dbraw/zinc/75/83/97/998758397.db2.gz YQQARXJWGQWEGM-UHFFFAOYSA-N 1 1 409.555 3.534 20 30 HHEDMO COc1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)ccc1OCc1cccc(C#N)c1 ZINC000486791662 998941900 /nfs/dbraw/zinc/94/19/00/998941900.db2.gz OJLWJVCMQOZKQK-REWPJTCUSA-N 1 1 410.539 3.852 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000478563611 999026468 /nfs/dbraw/zinc/02/64/68/999026468.db2.gz QZXMOBXGMUCWBH-ZJSXRUAMSA-N 1 1 402.542 3.751 20 30 HHEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000487086391 999058674 /nfs/dbraw/zinc/05/86/74/999058674.db2.gz LMCYMDZLHGYFNC-XUZZJYLKSA-N 1 1 405.542 3.642 20 30 HHEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000487086387 999058711 /nfs/dbraw/zinc/05/87/11/999058711.db2.gz LMCYMDZLHGYFNC-URXFXBBRSA-N 1 1 405.542 3.642 20 30 HHEDMO C=CCN1C(=O)c2ccc(C(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)cc2C1=O ZINC000478639867 999060269 /nfs/dbraw/zinc/06/02/69/999060269.db2.gz PLLHDQBODMSFFK-SFHVURJKSA-N 1 1 423.557 3.585 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487353844 999144514 /nfs/dbraw/zinc/14/45/14/999144514.db2.gz KRQSXDGZVIZGRS-KNQAVFIVSA-N 1 1 421.541 3.753 20 30 HHEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000487417209 999168584 /nfs/dbraw/zinc/16/85/84/999168584.db2.gz LGKVZIUUIONKRG-OAHLLOKOSA-N 1 1 412.921 3.763 20 30 HHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000487417209 999168585 /nfs/dbraw/zinc/16/85/85/999168585.db2.gz LGKVZIUUIONKRG-OAHLLOKOSA-N 1 1 412.921 3.763 20 30 HHEDMO CC[N@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000487429079 999173517 /nfs/dbraw/zinc/17/35/17/999173517.db2.gz LTXQQPUBTYSSSK-INIZCTEOSA-N 1 1 402.502 3.982 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000487429079 999173520 /nfs/dbraw/zinc/17/35/20/999173520.db2.gz LTXQQPUBTYSSSK-INIZCTEOSA-N 1 1 402.502 3.982 20 30 HHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000479040863 999262127 /nfs/dbraw/zinc/26/21/27/999262127.db2.gz DFZZAEXTACQRCI-OALUTQOASA-N 1 1 400.567 3.614 20 30 HHEDMO N#CC1(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC000479282142 999363584 /nfs/dbraw/zinc/36/35/84/999363584.db2.gz KPRVHYLWBHGTBB-XMMPIXPASA-N 1 1 416.569 3.573 20 30 HHEDMO N#CC1(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC000479282142 999363586 /nfs/dbraw/zinc/36/35/86/999363586.db2.gz KPRVHYLWBHGTBB-XMMPIXPASA-N 1 1 416.569 3.573 20 30 HHEDMO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000488459493 999493001 /nfs/dbraw/zinc/49/30/01/999493001.db2.gz GDRYQUZYJMWRLK-IFXJQAMLSA-N 1 1 413.905 3.681 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000488490854 999505469 /nfs/dbraw/zinc/50/54/69/999505469.db2.gz UXPLWDZCFSAWBC-UGKGYDQZSA-N 1 1 421.541 3.753 20 30 HHEDMO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000488568368 999530484 /nfs/dbraw/zinc/53/04/84/999530484.db2.gz MDGCQJVZHDLDPW-UHFFFAOYSA-N 1 1 418.419 3.866 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000488568368 999530487 /nfs/dbraw/zinc/53/04/87/999530487.db2.gz MDGCQJVZHDLDPW-UHFFFAOYSA-N 1 1 418.419 3.866 20 30 HHEDMO COC[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000488790809 999608774 /nfs/dbraw/zinc/60/87/74/999608774.db2.gz XOUCLHBUMVAYRS-LJQANCHMSA-N 1 1 424.850 3.804 20 30 HHEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccccc1Oc1ccccc1C#N ZINC000488836853 999623001 /nfs/dbraw/zinc/62/30/01/999623001.db2.gz BNWAEVYPRKOHKH-GOSISDBHSA-N 1 1 405.498 3.676 20 30 HHEDMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489113896 999703285 /nfs/dbraw/zinc/70/32/85/999703285.db2.gz IDJDKJVNMFLTKR-QFBILLFUSA-N 1 1 401.507 3.543 20 30 HHEDMO CC(C)[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)N1CC[NH+](C)CC1 ZINC000480121205 999722706 /nfs/dbraw/zinc/72/27/06/999722706.db2.gz PPPCXOLGZRGBQI-QFIPXVFZSA-N 1 1 422.598 3.711 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@@H]1CCO[C@@H]1C ZINC000489398092 999758772 /nfs/dbraw/zinc/75/87/72/999758772.db2.gz HOHTVLHCIFGPKI-WIYYLYMNSA-N 1 1 416.566 3.546 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@@H]1CCO[C@@H]1C ZINC000489398092 999758773 /nfs/dbraw/zinc/75/87/73/999758773.db2.gz HOHTVLHCIFGPKI-WIYYLYMNSA-N 1 1 416.566 3.546 20 30 HHEDMO Cc1ccc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000480379930 999784681 /nfs/dbraw/zinc/78/46/81/999784681.db2.gz WMAPEUWJBMUZJE-QHCPKHFHSA-N 1 1 407.539 3.796 20 30 HHEDMO N#Cc1cc(F)ccc1CN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000489633910 999807005 /nfs/dbraw/zinc/80/70/05/999807005.db2.gz LSKUPRJTGJQPJD-UHFFFAOYSA-N 1 1 411.506 3.559 20 30 HHEDMO Cc1oc(NC(=O)[C@H](C)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C#N)c1C ZINC000489677801 999815976 /nfs/dbraw/zinc/81/59/76/999815976.db2.gz LWENRUALMMHKTB-SFHVURJKSA-N 1 1 408.546 3.939 20 30 HHEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4nc5c(s4)CCCC5)C3)C2=O)cc1 ZINC000490017130 999878424 /nfs/dbraw/zinc/87/84/24/999878424.db2.gz MCCAIQNZUHAYNM-FXAWDEMLSA-N 1 1 406.555 3.878 20 30 HHEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](c4nc5c(s4)CCCC5)C3)C2=O)cc1 ZINC000490017130 999878426 /nfs/dbraw/zinc/87/84/26/999878426.db2.gz MCCAIQNZUHAYNM-FXAWDEMLSA-N 1 1 406.555 3.878 20 30 HHEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Oc2ccccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000490252066 999922040 /nfs/dbraw/zinc/92/20/40/999922040.db2.gz UHGRKPCXJSXHLY-ZAOYMGCJSA-N 1 1 413.468 3.944 20 30 HHEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](C)Oc2ccccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000490252066 999922042 /nfs/dbraw/zinc/92/20/42/999922042.db2.gz UHGRKPCXJSXHLY-ZAOYMGCJSA-N 1 1 413.468 3.944 20 30 HHEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[C@@H]2C1 ZINC000490402186 999951931 /nfs/dbraw/zinc/95/19/31/999951931.db2.gz PIEUAKUBNNMYRD-WMZHIEFXSA-N 1 1 404.514 3.890 20 30 HHEDMO C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490797117 1000007440 /nfs/dbraw/zinc/00/74/40/1000007440.db2.gz NSLJEZJRWHOYAN-SIKLNZKXSA-N 1 1 418.541 3.694 20 30 HHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000490967134 1000028810 /nfs/dbraw/zinc/02/88/10/1000028810.db2.gz PPDASLKODNDSDG-UHFFFAOYSA-N 1 1 401.599 3.658 20 30 HHEDMO C=C(C)CN(CC)C(=O)C[N@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000490967134 1000028813 /nfs/dbraw/zinc/02/88/13/1000028813.db2.gz PPDASLKODNDSDG-UHFFFAOYSA-N 1 1 401.599 3.658 20 30 HHEDMO CC(C)(CCC#N)CNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000491082221 1000043615 /nfs/dbraw/zinc/04/36/15/1000043615.db2.gz DLEGVEMPCWZFOJ-UHFFFAOYSA-N 1 1 409.534 3.935 20 30 HHEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000491146864 1000050209 /nfs/dbraw/zinc/05/02/09/1000050209.db2.gz PGUFLRXYVKDMHQ-FQEVSTJZSA-N 1 1 414.513 3.513 20 30 HHEDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)C1 ZINC000492416790 1000125714 /nfs/dbraw/zinc/12/57/14/1000125714.db2.gz LFBJEVMBURJGMP-OAHLLOKOSA-N 1 1 404.352 3.791 20 30 HHEDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000504541165 1000258960 /nfs/dbraw/zinc/25/89/60/1000258960.db2.gz ZASQIFDHOCOGRH-LJQANCHMSA-N 1 1 416.443 3.671 20 30 HHEDMO C[C@H]1[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000494019532 1000271405 /nfs/dbraw/zinc/27/14/05/1000271405.db2.gz USNXDYYTSRKLLY-WMZHIEFXSA-N 1 1 413.525 3.857 20 30 HHEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494163177 1000336748 /nfs/dbraw/zinc/33/67/48/1000336748.db2.gz IITWJLBZNNMBSZ-MJGOQNOKSA-N 1 1 404.848 3.839 20 30 HHEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494163177 1000336752 /nfs/dbraw/zinc/33/67/52/1000336752.db2.gz IITWJLBZNNMBSZ-MJGOQNOKSA-N 1 1 404.848 3.839 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000494195702 1000356226 /nfs/dbraw/zinc/35/62/26/1000356226.db2.gz QVJFPPUEWWNCID-CVDCTZTESA-N 1 1 421.541 3.607 20 30 HHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000504965695 1000476424 /nfs/dbraw/zinc/47/64/24/1000476424.db2.gz POAKYIYHPJOIHO-UHFFFAOYSA-N 1 1 408.521 3.892 20 30 HHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494753315 1000635542 /nfs/dbraw/zinc/63/55/42/1000635542.db2.gz XVOZLSQVBPLUDL-OPYAIIAOSA-N 1 1 412.578 3.867 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc([S@@](C)=O)cc1 ZINC000494985420 1000763658 /nfs/dbraw/zinc/76/36/58/1000763658.db2.gz JWBLGXKCLKFCIU-MUUNZHRXSA-N 1 1 415.584 3.697 20 30 HHEDMO N#Cc1cccnc1N1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000495079277 1000816744 /nfs/dbraw/zinc/81/67/44/1000816744.db2.gz NDLWRSOVHATPNK-UHFFFAOYSA-N 1 1 412.419 3.684 20 30 HHEDMO CCN1CC[NH+](Cc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)CC1 ZINC000505527530 1000873254 /nfs/dbraw/zinc/87/32/54/1000873254.db2.gz VEGNDIPHNVIWFK-UHFFFAOYSA-N 1 1 406.505 3.505 20 30 HHEDMO N#CCCn1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(-c2ccccc2)n1 ZINC000505642714 1000950345 /nfs/dbraw/zinc/95/03/45/1000950345.db2.gz WZNHWJVAIYUGBV-UHFFFAOYSA-N 1 1 416.485 3.694 20 30 HHEDMO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc2F)CC1 ZINC000505682678 1000973470 /nfs/dbraw/zinc/97/34/70/1000973470.db2.gz GQUMVWORCQIQQS-LJQANCHMSA-N 1 1 400.885 3.616 20 30 HHEDMO CCCOCc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505773640 1001015917 /nfs/dbraw/zinc/01/59/17/1001015917.db2.gz QMFDKMXHHQXJQK-UHFFFAOYSA-N 1 1 420.557 3.902 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000505784984 1001022344 /nfs/dbraw/zinc/02/23/44/1001022344.db2.gz RRSOQPIIIRTFKE-QUCCMNQESA-N 1 1 404.297 3.784 20 30 HHEDMO N#C[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C(F)(F)F)c1 ZINC000505922020 1001102843 /nfs/dbraw/zinc/10/28/43/1001102843.db2.gz CSGNYBOSIRIAEH-WOJBJXKFSA-N 1 1 417.431 3.677 20 30 HHEDMO N#C[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C(F)(F)F)c1 ZINC000505922020 1001102849 /nfs/dbraw/zinc/10/28/49/1001102849.db2.gz CSGNYBOSIRIAEH-WOJBJXKFSA-N 1 1 417.431 3.677 20 30 HHEDMO N#Cc1ccc(CC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000506131277 1001238583 /nfs/dbraw/zinc/23/85/83/1001238583.db2.gz ILNMFSGQUOPWET-UHFFFAOYSA-N 1 1 400.482 3.537 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000497411589 1001346704 /nfs/dbraw/zinc/34/67/04/1001346704.db2.gz LKNKIIFNBAGZAF-UHFFFAOYSA-N 1 1 403.473 3.963 20 30 HHEDMO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000497413237 1001349597 /nfs/dbraw/zinc/34/95/97/1001349597.db2.gz AHURILVKMOIEQK-NHCUHLMSSA-N 1 1 412.578 3.567 20 30 HHEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@H](C)O1 ZINC000506371714 1001383953 /nfs/dbraw/zinc/38/39/53/1001383953.db2.gz VSEKTIJMFHBASC-ROUUACIJSA-N 1 1 421.516 3.655 20 30 HHEDMO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000506479372 1001431636 /nfs/dbraw/zinc/43/16/36/1001431636.db2.gz ITTWGTJQYNYIDQ-GOSISDBHSA-N 1 1 412.509 3.792 20 30 HHEDMO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000506479372 1001431639 /nfs/dbraw/zinc/43/16/39/1001431639.db2.gz ITTWGTJQYNYIDQ-GOSISDBHSA-N 1 1 412.509 3.792 20 30 HHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000498157871 1001667705 /nfs/dbraw/zinc/66/77/05/1001667705.db2.gz WKCCTARHBDVEQT-UHFFFAOYSA-N 1 1 410.566 3.924 20 30 HHEDMO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000498221764 1001704682 /nfs/dbraw/zinc/70/46/82/1001704682.db2.gz LCEXRSBNAFLBFW-LJQANCHMSA-N 1 1 424.570 3.634 20 30 HHEDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)nn1-c1cccc(C#N)c1 ZINC000507083467 1001797304 /nfs/dbraw/zinc/79/73/04/1001797304.db2.gz HOLCASNBBLLIBY-IRLDBZIGSA-N 1 1 419.916 3.881 20 30 HHEDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)nn1-c1cccc(C#N)c1 ZINC000507083467 1001797311 /nfs/dbraw/zinc/79/73/11/1001797311.db2.gz HOLCASNBBLLIBY-IRLDBZIGSA-N 1 1 419.916 3.881 20 30 HHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000507085510 1001798323 /nfs/dbraw/zinc/79/83/23/1001798323.db2.gz LXDPOHKTBUIYCC-QFIPXVFZSA-N 1 1 403.526 3.875 20 30 HHEDMO C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498381401 1001811633 /nfs/dbraw/zinc/81/16/33/1001811633.db2.gz BKCDOBCZZONZEM-GOEBONIOSA-N 1 1 402.420 3.612 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507179139 1001866309 /nfs/dbraw/zinc/86/63/09/1001866309.db2.gz JSWTYOWLHKCWLO-HXUWFJFHSA-N 1 1 408.546 3.750 20 30 HHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507341705 1002010596 /nfs/dbraw/zinc/01/05/96/1002010596.db2.gz QAGURQDGWMDXGX-SIKLNZKXSA-N 1 1 418.541 3.947 20 30 HHEDMO CCCCCC(=O)NC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000498662818 1002057062 /nfs/dbraw/zinc/05/70/62/1002057062.db2.gz MNFVMYNSMTXIAO-SFHVURJKSA-N 1 1 416.541 3.622 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000498864111 1002249968 /nfs/dbraw/zinc/24/99/68/1002249968.db2.gz IOYKGOUDAKGRNG-FQEVSTJZSA-N 1 1 419.550 3.968 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000498873040 1002259822 /nfs/dbraw/zinc/25/98/22/1002259822.db2.gz CPJLRVUGQUNDQQ-IBGZPJMESA-N 1 1 405.523 3.578 20 30 HHEDMO CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000507687625 1002280391 /nfs/dbraw/zinc/28/03/91/1002280391.db2.gz LPXJXKWGOWUHLU-HXUWFJFHSA-N 1 1 424.589 3.582 20 30 HHEDMO COc1cccc([C@H](C)[NH+]2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000507702428 1002294022 /nfs/dbraw/zinc/29/40/22/1002294022.db2.gz CGTLLAIBPOWSNB-LEWJYISDSA-N 1 1 420.557 3.709 20 30 HHEDMO COc1cccc([C@@H](C)[NH+]2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)c1 ZINC000507724120 1002311119 /nfs/dbraw/zinc/31/11/19/1002311119.db2.gz JDIFXWUAFFUEFS-GOSISDBHSA-N 1 1 424.570 3.628 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000498926066 1002323760 /nfs/dbraw/zinc/32/37/60/1002323760.db2.gz AVSCWBDYFWXEMQ-AZUAARDMSA-N 1 1 420.561 3.814 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000498926066 1002323774 /nfs/dbraw/zinc/32/37/74/1002323774.db2.gz AVSCWBDYFWXEMQ-AZUAARDMSA-N 1 1 420.561 3.814 20 30 HHEDMO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000507748019 1002323895 /nfs/dbraw/zinc/32/38/95/1002323895.db2.gz MTBVICVJUQZZOK-FQEVSTJZSA-N 1 1 416.569 3.790 20 30 HHEDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCN1CC(F)F ZINC000498928515 1002326222 /nfs/dbraw/zinc/32/62/22/1002326222.db2.gz XWAIFNSRLLRLFL-GJZGRUSLSA-N 1 1 424.561 3.734 20 30 HHEDMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507835148 1002377006 /nfs/dbraw/zinc/37/70/06/1002377006.db2.gz XYYLZYNMEKGLRG-PYZOSGAUSA-N 1 1 407.558 3.875 20 30 HHEDMO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)OC(C)(C)C ZINC000499251313 1002650089 /nfs/dbraw/zinc/65/00/89/1002650089.db2.gz WANPFPPOPCCXPR-UHFFFAOYSA-N 1 1 405.564 3.879 20 30 HHEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)OC(C)(C)C ZINC000499251313 1002650096 /nfs/dbraw/zinc/65/00/96/1002650096.db2.gz WANPFPPOPCCXPR-UHFFFAOYSA-N 1 1 405.564 3.879 20 30 HHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000508121949 1002650955 /nfs/dbraw/zinc/65/09/55/1002650955.db2.gz STABRRULKGIOCT-MAUKXSAKSA-N 1 1 419.460 3.954 20 30 HHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000508121949 1002650961 /nfs/dbraw/zinc/65/09/61/1002650961.db2.gz STABRRULKGIOCT-MAUKXSAKSA-N 1 1 419.460 3.954 20 30 HHEDMO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000508481891 1002966568 /nfs/dbraw/zinc/96/65/68/1002966568.db2.gz UUZKOXYKWMITGY-LJQANCHMSA-N 1 1 421.545 3.734 20 30 HHEDMO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508487671 1002971252 /nfs/dbraw/zinc/97/12/52/1002971252.db2.gz GSTNUZOIYKFSBY-QZTJIDSGSA-N 1 1 401.530 3.911 20 30 HHEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508499461 1002982022 /nfs/dbraw/zinc/98/20/22/1002982022.db2.gz ZNBZCMFNHYEICD-SIKLNZKXSA-N 1 1 407.562 3.805 20 30 HHEDMO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000508507784 1002989457 /nfs/dbraw/zinc/98/94/57/1002989457.db2.gz UXWAWQCTTAUDOR-AWEZNQCLSA-N 1 1 410.349 3.595 20 30 HHEDMO Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508535769 1003012232 /nfs/dbraw/zinc/01/22/32/1003012232.db2.gz XECUUKNRKMSUKK-UHFFFAOYSA-N 1 1 412.541 3.846 20 30 HHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000508669777 1003109518 /nfs/dbraw/zinc/10/95/18/1003109518.db2.gz JPEDKVKDJJHSDN-ZBWQPJPKSA-N 1 1 410.562 3.681 20 30 HHEDMO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000508681614 1003120031 /nfs/dbraw/zinc/12/00/31/1003120031.db2.gz LHVPQTFNYCOKPQ-UHFFFAOYSA-N 1 1 407.518 3.672 20 30 HHEDMO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508795214 1003223594 /nfs/dbraw/zinc/22/35/94/1003223594.db2.gz NETLSNLTFXWHKA-NFBKMPQASA-N 1 1 416.573 3.920 20 30 HHEDMO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508831309 1003252750 /nfs/dbraw/zinc/25/27/50/1003252750.db2.gz BGJCJMKCMDXPSB-MRXNPFEDSA-N 1 1 403.958 3.961 20 30 HHEDMO C=CCn1c(Cc2ccccn2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000508855609 1003275322 /nfs/dbraw/zinc/27/53/22/1003275322.db2.gz IHNNHQAHLRUMNA-FQEVSTJZSA-N 1 1 408.594 3.931 20 30 HHEDMO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508864859 1003284819 /nfs/dbraw/zinc/28/48/19/1003284819.db2.gz QXMZKXKQCKPVFO-INIZCTEOSA-N 1 1 424.530 3.984 20 30 HHEDMO C=CCn1c(COc2ccccc2F)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000508874461 1003293940 /nfs/dbraw/zinc/29/39/40/1003293940.db2.gz QPJDMZKTDNKDKP-UHFFFAOYSA-N 1 1 413.522 3.566 20 30 HHEDMO C=CCn1c(Cc2ccccc2C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000508906718 1003344710 /nfs/dbraw/zinc/34/47/10/1003344710.db2.gz IDFFUJGSLCBVAS-UHFFFAOYSA-N 1 1 412.541 3.557 20 30 HHEDMO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508909012 1003350309 /nfs/dbraw/zinc/35/03/09/1003350309.db2.gz XHTSQEPRRBNGNU-ZWKOTPCHSA-N 1 1 401.530 3.911 20 30 HHEDMO C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000508912975 1003352587 /nfs/dbraw/zinc/35/25/87/1003352587.db2.gz NRDATNPZVRSDNS-IBGZPJMESA-N 1 1 413.566 3.703 20 30 HHEDMO C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508935696 1003380805 /nfs/dbraw/zinc/38/08/05/1003380805.db2.gz OLIYKPFPTSFIMR-XLIONFOSSA-N 1 1 423.561 3.601 20 30 HHEDMO N#CC1(c2ccccc2)CCC([NH2+]CCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000500096896 1003457839 /nfs/dbraw/zinc/45/78/39/1003457839.db2.gz XSAZHMDPTHHOAD-UHFFFAOYSA-N 1 1 402.586 3.798 20 30 HHEDMO C=CCn1c(CC(C)(C)C)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508994775 1003466233 /nfs/dbraw/zinc/46/62/33/1003466233.db2.gz JGESOVNHKFXIRK-KDURUIRLSA-N 1 1 403.615 3.768 20 30 HHEDMO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000509093953 1003547955 /nfs/dbraw/zinc/54/79/55/1003547955.db2.gz AQFRUWXWWFSTFB-UHFFFAOYSA-N 1 1 419.481 3.812 20 30 HHEDMO COc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1OCCCC#N ZINC000509095928 1003549519 /nfs/dbraw/zinc/54/95/19/1003549519.db2.gz FUZWUIQQBNHVBF-UHFFFAOYSA-N 1 1 404.514 3.962 20 30 HHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000509374705 1003802689 /nfs/dbraw/zinc/80/26/89/1003802689.db2.gz SYILUHHRJOUFCH-CYBMUJFWSA-N 1 1 405.321 3.628 20 30 HHEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1)C(C)C ZINC000509462708 1003880551 /nfs/dbraw/zinc/88/05/51/1003880551.db2.gz JWPCZLKLPZGVKL-XMMPIXPASA-N 1 1 404.558 3.940 20 30 HHEDMO COc1cccc(-c2c[nH]cc2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000509464903 1003882903 /nfs/dbraw/zinc/88/29/03/1003882903.db2.gz QXPGMALZVTZMKD-UHFFFAOYSA-N 1 1 414.509 3.910 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500832098 1003989519 /nfs/dbraw/zinc/98/95/19/1003989519.db2.gz LGQQHVUJTBEUNY-QGZVFWFLSA-N 1 1 415.534 3.691 20 30 HHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000509809327 1004115232 /nfs/dbraw/zinc/11/52/32/1004115232.db2.gz UJXPAQWFPMUBTG-UEXGIBASSA-N 1 1 412.553 3.778 20 30 HHEDMO Cc1sc(NC(=O)CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C#N)c1C ZINC000512236297 1004137089 /nfs/dbraw/zinc/13/70/89/1004137089.db2.gz GLNDXBAEMYNZEG-QHCPKHFHSA-N 1 1 408.571 3.773 20 30 HHEDMO COCc1cccc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000501046850 1004148349 /nfs/dbraw/zinc/14/83/49/1004148349.db2.gz BOIFCCAGSRQKOW-OAQYLSRUSA-N 1 1 414.347 3.978 20 30 HHEDMO Cc1oc(NC(=O)[C@@H](C)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C#N)c1C ZINC000512285411 1004188125 /nfs/dbraw/zinc/18/81/25/1004188125.db2.gz IBRVMSHGEZSOHG-HOYKHHGWSA-N 1 1 406.530 3.693 20 30 HHEDMO C=CC[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000512379189 1004258897 /nfs/dbraw/zinc/25/88/97/1004258897.db2.gz FDXRZKGAWWIFCW-UHFFFAOYSA-N 1 1 406.442 3.944 20 30 HHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000512379189 1004258902 /nfs/dbraw/zinc/25/89/02/1004258902.db2.gz FDXRZKGAWWIFCW-UHFFFAOYSA-N 1 1 406.442 3.944 20 30 HHEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510099394 1004323097 /nfs/dbraw/zinc/32/30/97/1004323097.db2.gz OLTYBZMKNKGTEW-DYESRHJHSA-N 1 1 420.557 3.625 20 30 HHEDMO COc1cc(C#N)ccc1CN1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC)CC1 ZINC000501291604 1004335633 /nfs/dbraw/zinc/33/56/33/1004335633.db2.gz NLXONRGWYCNSAT-HSZRJFAPSA-N 1 1 418.541 3.934 20 30 HHEDMO 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/nfs/dbraw/zinc/23/86/78/1010238678.db2.gz OWUVZQIPGZMLTH-HXUWFJFHSA-N 1 1 413.315 3.850 20 30 HHEDMO N#C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc(Cl)c1Cl ZINC000521293552 1010284579 /nfs/dbraw/zinc/28/45/79/1010284579.db2.gz XXOCQVHWOLLMJH-YJBOKZPZSA-N 1 1 403.313 3.981 20 30 HHEDMO COc1cc(C#N)ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000547415504 1010294390 /nfs/dbraw/zinc/29/43/90/1010294390.db2.gz FHKLVPVRPYCZRT-QGZVFWFLSA-N 1 1 418.419 3.982 20 30 HHEDMO C=CCCCCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000521514277 1010428938 /nfs/dbraw/zinc/42/89/38/1010428938.db2.gz QSKPVAKKOAUPSJ-KRIYCRJKSA-N 1 1 417.981 3.843 20 30 HHEDMO COc1ccc([C@H](CCC#N)[NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000545013044 1010556133 /nfs/dbraw/zinc/55/61/33/1010556133.db2.gz IHOLFPPUNOSNLR-GOTSBHOMSA-N 1 1 407.514 3.739 20 30 HHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000521740438 1010585253 /nfs/dbraw/zinc/58/52/53/1010585253.db2.gz ZNRMDMFFWMVZFG-PKOBYXMFSA-N 1 1 422.554 3.583 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536184812 1011321401 /nfs/dbraw/zinc/32/14/01/1011321401.db2.gz FMEYJBQWLNAAMP-LKUPVBHCSA-N 1 1 422.554 3.581 20 30 HHEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1-c1ccc(F)cc1 ZINC000540748720 1011402053 /nfs/dbraw/zinc/40/20/53/1011402053.db2.gz UEEAIUAKMJHOPQ-UHFFFAOYSA-N 1 1 417.488 3.540 20 30 HHEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1-c1ccc(F)cc1 ZINC000540748720 1011402062 /nfs/dbraw/zinc/40/20/62/1011402062.db2.gz UEEAIUAKMJHOPQ-UHFFFAOYSA-N 1 1 417.488 3.540 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000540826431 1011490404 /nfs/dbraw/zinc/49/04/04/1011490404.db2.gz GEJYZALNKXEBRC-JOCHJYFZSA-N 1 1 424.520 3.934 20 30 HHEDMO Cc1ccncc1N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000536336253 1011537592 /nfs/dbraw/zinc/53/75/92/1011537592.db2.gz BIXCRSOFFZXYCV-INIZCTEOSA-N 1 1 423.586 3.599 20 30 HHEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000540873075 1011551080 /nfs/dbraw/zinc/55/10/80/1011551080.db2.gz DDIFHOYDOXHPPU-ROUUACIJSA-N 1 1 407.514 3.968 20 30 HHEDMO C=CCc1cc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc(OC)c1OC ZINC000523430720 1011920289 /nfs/dbraw/zinc/92/02/89/1011920289.db2.gz IOKYWESRDAQVDJ-UHFFFAOYSA-N 1 1 401.551 3.592 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C1 ZINC000551773351 1011934201 /nfs/dbraw/zinc/93/42/01/1011934201.db2.gz YPNLZMOSCUMVFP-SFHVURJKSA-N 1 1 416.525 3.534 20 30 HHEDMO N#Cc1cccc(OC2CC[NH+]([C@H](Cc3ccc(C(F)(F)F)cc3)C(N)=O)CC2)c1 ZINC000541351152 1012065743 /nfs/dbraw/zinc/06/57/43/1012065743.db2.gz UCCFNVSASWWUGU-HXUWFJFHSA-N 1 1 417.431 3.517 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000552191689 1012204352 /nfs/dbraw/zinc/20/43/52/1012204352.db2.gz OOPQMTLAOFFYCI-FDDCHVKYSA-N 1 1 402.546 3.642 20 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Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1C#N ZINC000541617683 1012422978 /nfs/dbraw/zinc/42/29/78/1012422978.db2.gz DNQNUTQYDDDLKE-WOJBJXKFSA-N 1 1 400.567 3.759 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1C#N ZINC000541617683 1012422989 /nfs/dbraw/zinc/42/29/89/1012422989.db2.gz DNQNUTQYDDDLKE-WOJBJXKFSA-N 1 1 400.567 3.759 20 30 HHEDMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537172388 1012577463 /nfs/dbraw/zinc/57/74/63/1012577463.db2.gz UFNVNJRGIWICMA-MJGOQNOKSA-N 1 1 422.554 3.896 20 30 HHEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537172388 1012577466 /nfs/dbraw/zinc/57/74/66/1012577466.db2.gz UFNVNJRGIWICMA-MJGOQNOKSA-N 1 1 422.554 3.896 20 30 HHEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000537247800 1012692953 /nfs/dbraw/zinc/69/29/53/1012692953.db2.gz HCDGIMXPDBDAMT-VXKWHMMOSA-N 1 1 420.582 3.609 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(N[C@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000537304667 1012762485 /nfs/dbraw/zinc/76/24/85/1012762485.db2.gz TVZNIZHXEAOJJA-NRFANRHFSA-N 1 1 408.933 3.571 20 30 HHEDMO N#Cc1cc(F)cc(C2(C(=O)NC[C@@H]([NH2+]Cc3ccccc3)c3ccco3)CC2)c1 ZINC000552873366 1012880274 /nfs/dbraw/zinc/88/02/74/1012880274.db2.gz SUDIYUVVNGTLNK-OAQYLSRUSA-N 1 1 403.457 3.969 20 30 HHEDMO C[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542025958 1012919944 /nfs/dbraw/zinc/91/99/44/1012919944.db2.gz PHYRCQXBOVMAMF-FQEVSTJZSA-N 1 1 419.573 3.613 20 30 HHEDMO C[C@@H](c1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)[NH+]1CCOCC1 ZINC000552951661 1012938120 /nfs/dbraw/zinc/93/81/20/1012938120.db2.gz DCOZNHRDWLRBBZ-PXNSSMCTSA-N 1 1 422.504 3.556 20 30 HHEDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000553060681 1013034090 /nfs/dbraw/zinc/03/40/90/1013034090.db2.gz JMTPXVVPHBLSNJ-STZQEDGTSA-N 1 1 420.532 3.693 20 30 HHEDMO N#CC1(c2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4Cl)CC3)cc2)CC1 ZINC000537519985 1013035595 /nfs/dbraw/zinc/03/55/95/1013035595.db2.gz MUQWCSLSSLGXEN-UHFFFAOYSA-N 1 1 422.960 3.837 20 30 HHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cncc(Br)c2)no1 ZINC001211975316 1071828828 /nfs/dbraw/zinc/82/88/28/1071828828.db2.gz CYRIAJOIOIODAV-CVEARBPZSA-N 1 1 409.328 3.972 20 30 HHEDMO C#CCN(CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C(=O)OC(C)(C)C ZINC001625982505 1072024569 /nfs/dbraw/zinc/02/45/69/1072024569.db2.gz LTUYJUVKAJXASS-UHFFFAOYSA-N 1 1 410.518 3.864 20 30 HHEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168275516 1072155990 /nfs/dbraw/zinc/15/59/90/1072155990.db2.gz MGOILUZOCPTZHN-GJZGRUSLSA-N 1 1 411.449 3.653 20 30 HHEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168275513 1072156074 /nfs/dbraw/zinc/15/60/74/1072156074.db2.gz MGOILUZOCPTZHN-CABCVRRESA-N 1 1 411.449 3.653 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000570889474 1072402868 /nfs/dbraw/zinc/40/28/68/1072402868.db2.gz XWHBWKWKEJNRQT-LIVBEALHSA-N 1 1 401.576 3.963 20 30 HHEDMO N#Cc1cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000571489766 1072637889 /nfs/dbraw/zinc/63/78/89/1072637889.db2.gz HKDFNJKAUJHPDW-UYAOXDASSA-N 1 1 413.481 3.973 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000587992456 1072734879 /nfs/dbraw/zinc/73/48/79/1072734879.db2.gz LSZRBEDENBUUBU-RSXGOPAZSA-N 1 1 414.553 3.652 20 30 HHEDMO C=CCCCN(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000554883326 1072935492 /nfs/dbraw/zinc/93/54/92/1072935492.db2.gz CEFBCFWBVFWQIC-KRIYCRJKSA-N 1 1 417.981 3.795 20 30 HHEDMO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554929977 1072964161 /nfs/dbraw/zinc/96/41/61/1072964161.db2.gz HAEMSFDTBIQQDX-OAQYLSRUSA-N 1 1 418.501 3.750 20 30 HHEDMO 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ZINC000555286089 1073308096 /nfs/dbraw/zinc/30/80/96/1073308096.db2.gz DPEAIDSUORHORN-SFHVURJKSA-N 1 1 402.420 3.539 20 30 HHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000588979045 1073368920 /nfs/dbraw/zinc/36/89/20/1073368920.db2.gz WQKXZZVLSOKSHQ-FQEVSTJZSA-N 1 1 417.431 3.831 20 30 HHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000588979045 1073368926 /nfs/dbraw/zinc/36/89/26/1073368926.db2.gz WQKXZZVLSOKSHQ-FQEVSTJZSA-N 1 1 417.431 3.831 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@H]4C[N@@H+](C)C[C@@H]43)sc2C1 ZINC000590010630 1073449204 /nfs/dbraw/zinc/44/92/04/1073449204.db2.gz RFPZIQRMBSCZDI-FCEWJHQRSA-N 1 1 414.619 3.735 20 30 HHEDMO CCC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)Cc1ccc(C#N)cc1 ZINC000555461770 1073509639 /nfs/dbraw/zinc/50/96/39/1073509639.db2.gz VLTSLPSKPYUQQX-UHFFFAOYSA-N 1 1 411.527 3.746 20 30 HHEDMO CCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)Cc1ccc(C#N)cc1 ZINC000555461770 1073509647 /nfs/dbraw/zinc/50/96/47/1073509647.db2.gz VLTSLPSKPYUQQX-UHFFFAOYSA-N 1 1 411.527 3.746 20 30 HHEDMO C[N@H+](CCO)Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)ccc1Cl ZINC000590537897 1073882511 /nfs/dbraw/zinc/88/25/11/1073882511.db2.gz FAAWOBHDBRUOJD-UHFFFAOYSA-N 1 1 403.935 3.508 20 30 HHEDMO C[N@@H+](CCO)Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)ccc1Cl ZINC000590537897 1073882524 /nfs/dbraw/zinc/88/25/24/1073882524.db2.gz FAAWOBHDBRUOJD-UHFFFAOYSA-N 1 1 403.935 3.508 20 30 HHEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000573606693 1074566675 /nfs/dbraw/zinc/56/66/75/1074566675.db2.gz FNUCMEXJWGYRNT-UHFFFAOYSA-N 1 1 423.524 3.587 20 30 HHEDMO Cn1cc(-c2ccc3c(c2)N(CC2C[NH+](Cc4ccc(C#N)o4)C2)CC3(C)C)cn1 ZINC000595280576 1075424488 /nfs/dbraw/zinc/42/44/88/1075424488.db2.gz UOMPBSAJIRUSKO-UHFFFAOYSA-N 1 1 401.514 3.781 20 30 HHEDMO C=CCn1c(-c2ncccc2C)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000575096849 1075477098 /nfs/dbraw/zinc/47/70/98/1075477098.db2.gz GEWWFZNGBMMKFD-UHFFFAOYSA-N 1 1 406.509 3.686 20 30 HHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211021 1075544057 /nfs/dbraw/zinc/54/40/57/1075544057.db2.gz KIHHLOASSHCABL-MSOLQXFVSA-N 1 1 422.508 3.570 20 30 HHEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211021 1075544062 /nfs/dbraw/zinc/54/40/62/1075544062.db2.gz KIHHLOASSHCABL-MSOLQXFVSA-N 1 1 422.508 3.570 20 30 HHEDMO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211356 1075544113 /nfs/dbraw/zinc/54/41/13/1075544113.db2.gz TUTYKYMIJAAHRO-HXUWFJFHSA-N 1 1 418.545 3.649 20 30 HHEDMO C=CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211356 1075544118 /nfs/dbraw/zinc/54/41/18/1075544118.db2.gz TUTYKYMIJAAHRO-HXUWFJFHSA-N 1 1 418.545 3.649 20 30 HHEDMO C=CC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213367 1075544474 /nfs/dbraw/zinc/54/44/74/1075544474.db2.gz DXHMFIWMVLUUOY-QGZVFWFLSA-N 1 1 401.474 3.770 20 30 HHEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213367 1075544477 /nfs/dbraw/zinc/54/44/77/1075544477.db2.gz DXHMFIWMVLUUOY-QGZVFWFLSA-N 1 1 401.474 3.770 20 30 HHEDMO C=CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213444 1075544509 /nfs/dbraw/zinc/54/45/09/1075544509.db2.gz OUUDBGDTFTUGSZ-KRWDZBQOSA-N 1 1 402.506 3.737 20 30 HHEDMO C=CC[N@H+](Cc1cccc(C(=O)NCC(C)C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213368 1075544944 /nfs/dbraw/zinc/54/49/44/1075544944.db2.gz FDGIWFRHWVFYFW-IBGZPJMESA-N 1 1 418.545 3.797 20 30 HHEDMO CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N ZINC001545672258 1075693240 /nfs/dbraw/zinc/69/32/40/1075693240.db2.gz GSOXEOYEYINVCX-SJORKVTESA-N 1 1 402.974 3.848 20 30 HHEDMO N#CC1(c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2)CCOCC1 ZINC001164628052 719094045 /nfs/dbraw/zinc/09/40/45/719094045.db2.gz LXQPWYZDZBUXDM-FYYLOGMGSA-N 1 1 402.542 3.754 20 30 HHEDMO 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C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C#N)c(Cl)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164810189 721587701 /nfs/dbraw/zinc/58/77/01/721587701.db2.gz VBTWIMHSEDFFNX-QRVBRYPASA-N 1 1 418.328 3.523 20 30 HHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#C[Si](C)(C)C)ccn2)[C@@H]2CCCO[C@H]21 ZINC001164807703 721589095 /nfs/dbraw/zinc/58/90/95/721589095.db2.gz PRDYQHQWJWNXJZ-CQOQZXRMSA-N 1 1 420.633 3.574 20 30 HHEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(c3C#N)CCCC4)C[C@@H]21 ZINC001165025121 721831456 /nfs/dbraw/zinc/83/14/56/721831456.db2.gz LTSQOGBWEXQVOM-WDJPJFJCSA-N 1 1 401.558 3.964 20 30 HHEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5ccc(C#N)cc54)CC3)C2)cc1 ZINC001164940564 721922679 /nfs/dbraw/zinc/92/26/79/721922679.db2.gz TWTWWZQALUFYGC-UHFFFAOYSA-N 1 1 413.525 3.681 20 30 HHEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056195 722019706 /nfs/dbraw/zinc/01/97/06/722019706.db2.gz ZMVJTXSTHYDGGN-UHFFFAOYSA-N 1 1 420.904 3.554 20 30 HHEDMO N#Cc1ccc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C(F)(F)F)c1 ZINC000301345704 970878971 /nfs/dbraw/zinc/87/89/71/970878971.db2.gz GQTVRFBFNDPRFO-SFHVURJKSA-N 1 1 416.447 3.886 20 30 HHEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000301394965 970907096 /nfs/dbraw/zinc/90/70/96/970907096.db2.gz DWSDWDYJNADSQU-UHFFFAOYSA-N 1 1 410.424 3.736 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000302604601 971262567 /nfs/dbraw/zinc/26/25/67/971262567.db2.gz SAVOOVMWYAEBFI-FQEVSTJZSA-N 1 1 416.529 3.824 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000302604601 971262571 /nfs/dbraw/zinc/26/25/71/971262571.db2.gz SAVOOVMWYAEBFI-FQEVSTJZSA-N 1 1 416.529 3.824 20 30 HHEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)C2=O)cc1 ZINC000537561608 1013092239 /nfs/dbraw/zinc/09/22/39/1013092239.db2.gz HOSOZTADUNOYBA-CTNGQTDRSA-N 1 1 418.545 3.709 20 30 HHEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)C2=O)cc1 ZINC000537561608 1013092262 /nfs/dbraw/zinc/09/22/62/1013092262.db2.gz HOSOZTADUNOYBA-CTNGQTDRSA-N 1 1 418.545 3.709 20 30 HHEDMO CC(C)[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000303286325 971599284 /nfs/dbraw/zinc/59/92/84/971599284.db2.gz AEUZVFWHVXWCTC-JOCHJYFZSA-N 1 1 408.502 3.829 20 30 HHEDMO CCCO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000303419247 971697325 /nfs/dbraw/zinc/69/73/25/971697325.db2.gz XVHZTINVSKNOHG-IBGZPJMESA-N 1 1 412.534 3.838 20 30 HHEDMO CCCO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000303419247 971697333 /nfs/dbraw/zinc/69/73/33/971697333.db2.gz XVHZTINVSKNOHG-IBGZPJMESA-N 1 1 412.534 3.838 20 30 HHEDMO CCN(C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000303456492 971760111 /nfs/dbraw/zinc/76/01/11/971760111.db2.gz KTLVAXAVIUXMRD-OALUTQOASA-N 1 1 408.521 3.818 20 30 HHEDMO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000303529332 971830250 /nfs/dbraw/zinc/83/02/50/971830250.db2.gz GGNGJYCYQTUHTD-INIZCTEOSA-N 1 1 415.896 3.853 20 30 HHEDMO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000303529332 971830251 /nfs/dbraw/zinc/83/02/51/971830251.db2.gz GGNGJYCYQTUHTD-INIZCTEOSA-N 1 1 415.896 3.853 20 30 HHEDMO C#CCNC(=O)c1ccc(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)nc1 ZINC000303560258 971854890 /nfs/dbraw/zinc/85/48/90/971854890.db2.gz WYIMPYJIRGQDTO-OAQYLSRUSA-N 1 1 416.550 3.718 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565669 971859449 /nfs/dbraw/zinc/85/94/49/971859449.db2.gz INURLHVGXZQYLT-MDNUFGMLSA-N 1 1 416.606 3.750 20 30 HHEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000303641511 971921556 /nfs/dbraw/zinc/92/15/56/971921556.db2.gz IDANAMISUZWUQA-MRXNPFEDSA-N 1 1 403.404 3.701 20 30 HHEDMO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F 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/nfs/dbraw/zinc/37/17/57/972371757.db2.gz APIOEYNRVTWEOR-SFTDATJTSA-N 1 1 421.545 3.742 20 30 HHEDMO C=CC[N@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630231 1013184259 /nfs/dbraw/zinc/18/42/59/1013184259.db2.gz NMRKLPOWJITYAE-SJORKVTESA-N 1 1 405.502 3.744 20 30 HHEDMO C=CC[N@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630230 1013183778 /nfs/dbraw/zinc/18/37/78/1013183778.db2.gz NMRKLPOWJITYAE-IRXDYDNUSA-N 1 1 405.502 3.744 20 30 HHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630333 1013184106 /nfs/dbraw/zinc/18/41/06/1013184106.db2.gz QAHRYNXSVLEDPQ-INIZCTEOSA-N 1 1 403.465 3.941 20 30 HHEDMO [NH2+]=C(NCC1(N2CCSCC2)CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303865928 972408014 /nfs/dbraw/zinc/40/80/14/972408014.db2.gz BXWXJEIHNHCGHG-UHFFFAOYSA-N 1 1 402.486 3.673 20 30 HHEDMO COc1ccc(NC(=[NH2+])NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Cl ZINC000303890853 972430812 /nfs/dbraw/zinc/43/08/12/972430812.db2.gz MTMKLKAFEVQDPX-IYBDPMFKSA-N 1 1 416.953 3.885 20 30 HHEDMO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)N(Cc4ccccc4)C4CC4)CC3)n2c1 ZINC000537635725 1013191357 /nfs/dbraw/zinc/19/13/57/1013191357.db2.gz PGNDXAAGCQXTRV-UHFFFAOYSA-N 1 1 413.525 3.609 20 30 HHEDMO N#Cc1c(NC(=O)CN2CC[NH+](Cc3cccs3)CC2)sc2c1CCCCC2 ZINC000019540092 963368647 /nfs/dbraw/zinc/36/86/47/963368647.db2.gz BXUVUZHOXFBLEQ-UHFFFAOYSA-N 1 1 414.600 3.706 20 30 HHEDMO CCc1ccc2c(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1 ZINC000022819143 963722781 /nfs/dbraw/zinc/72/27/81/963722781.db2.gz YRTJTQVCHQCRET-UHFFFAOYSA-N 1 1 401.510 3.935 20 30 HHEDMO CCc1ccc2c(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1 ZINC000022819143 963722786 /nfs/dbraw/zinc/72/27/86/963722786.db2.gz YRTJTQVCHQCRET-UHFFFAOYSA-N 1 1 401.510 3.935 20 30 HHEDMO CCc1ccc2c(C[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1 ZINC000022819143 963722793 /nfs/dbraw/zinc/72/27/93/963722793.db2.gz YRTJTQVCHQCRET-UHFFFAOYSA-N 1 1 401.510 3.935 20 30 HHEDMO 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COc1cc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C2CC2)ccc1OC(F)F ZINC000029702812 965464237 /nfs/dbraw/zinc/46/42/37/965464237.db2.gz SQAAUBOWTUTEEM-UHFFFAOYSA-N 1 1 407.461 3.604 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC3(CCOCC3)[C@H]2C)c1C#N ZINC000542646909 1013578591 /nfs/dbraw/zinc/57/85/91/1013578591.db2.gz UOWAQDNWNFQZCS-LJQANCHMSA-N 1 1 406.530 3.795 20 30 HHEDMO CC(C)C[C@H](NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000058580339 965792818 /nfs/dbraw/zinc/79/28/18/965792818.db2.gz FXXXVMKHCHDJNL-QHCPKHFHSA-N 1 1 404.558 3.974 20 30 HHEDMO CC(C)C[C@H](NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000058580339 965792835 /nfs/dbraw/zinc/79/28/35/965792835.db2.gz FXXXVMKHCHDJNL-QHCPKHFHSA-N 1 1 404.558 3.974 20 30 HHEDMO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000033226780 966397618 /nfs/dbraw/zinc/39/76/18/966397618.db2.gz NZWKVALPZIYCFJ-LJQANCHMSA-N 1 1 403.526 3.549 20 30 HHEDMO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 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/nfs/dbraw/zinc/84/42/90/966844290.db2.gz JKSAKHBKBISISS-FQEVSTJZSA-N 1 1 412.490 3.604 20 30 HHEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000538125283 1013687087 /nfs/dbraw/zinc/68/70/87/1013687087.db2.gz TVXREVKQMOUUMC-KRWDZBQOSA-N 1 1 403.486 3.820 20 30 HHEDMO CC(C)[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000063750404 966946695 /nfs/dbraw/zinc/94/66/95/966946695.db2.gz IILYXXMTBVJQNU-UHFFFAOYSA-N 1 1 405.542 3.976 20 30 HHEDMO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000553907528 1013691571 /nfs/dbraw/zinc/69/15/71/1013691571.db2.gz MFGFMXOKNQUNDO-MRXNPFEDSA-N 1 1 410.543 3.561 20 30 HHEDMO COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000553907528 1013691578 /nfs/dbraw/zinc/69/15/78/1013691578.db2.gz MFGFMXOKNQUNDO-MRXNPFEDSA-N 1 1 410.543 3.561 20 30 HHEDMO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000553910748 1013695274 /nfs/dbraw/zinc/69/52/74/1013695274.db2.gz TTYHUBUKSUTJSV-OXJNMPFZSA-N 1 1 401.432 3.651 20 30 HHEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000553910748 1013695281 /nfs/dbraw/zinc/69/52/81/1013695281.db2.gz TTYHUBUKSUTJSV-OXJNMPFZSA-N 1 1 401.432 3.651 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000045804673 967556601 /nfs/dbraw/zinc/55/66/01/967556601.db2.gz WKXVBBXOVKMCOQ-HZPDHXFCSA-N 1 1 416.953 3.509 20 30 HHEDMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cnccc1C#N)c1ccc(Cl)cc1 ZINC000553998958 1013745438 /nfs/dbraw/zinc/74/54/38/1013745438.db2.gz FPSPCBPEXVELEN-KRWDZBQOSA-N 1 1 410.827 3.962 20 30 HHEDMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1cnccc1C#N)c1ccc(Cl)cc1 ZINC000553998958 1013745444 /nfs/dbraw/zinc/74/54/44/1013745444.db2.gz FPSPCBPEXVELEN-KRWDZBQOSA-N 1 1 410.827 3.962 20 30 HHEDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000538212403 1013765279 /nfs/dbraw/zinc/76/52/79/1013765279.db2.gz IJFKWWLDXYTDDR-SFHVURJKSA-N 1 1 423.536 3.519 20 30 HHEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)Nc1ccccc1 ZINC000047591836 968251527 /nfs/dbraw/zinc/25/15/27/968251527.db2.gz UCTCULQXGLNCBZ-UHFFFAOYSA-N 1 1 410.543 3.788 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)Nc1ccccc1 ZINC000047591836 968251538 /nfs/dbraw/zinc/25/15/38/968251538.db2.gz UCTCULQXGLNCBZ-UHFFFAOYSA-N 1 1 410.543 3.788 20 30 HHEDMO COc1ccc(-c2nc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n[nH]2)c(OC)c1 ZINC000072057800 968964337 /nfs/dbraw/zinc/96/43/37/968964337.db2.gz XDGXDVRTQAIBGF-KRWDZBQOSA-N 1 1 421.501 3.989 20 30 HHEDMO COc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c(OC)c1 ZINC000072057800 968964343 /nfs/dbraw/zinc/96/43/43/968964343.db2.gz XDGXDVRTQAIBGF-KRWDZBQOSA-N 1 1 421.501 3.989 20 30 HHEDMO COc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)c(OC)c1 ZINC000072057800 968964349 /nfs/dbraw/zinc/96/43/49/968964349.db2.gz XDGXDVRTQAIBGF-KRWDZBQOSA-N 1 1 421.501 3.989 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000554181289 1013840533 /nfs/dbraw/zinc/84/05/33/1013840533.db2.gz SOSAENIAGOUAKS-IBGZPJMESA-N 1 1 407.514 3.842 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC000554181289 1013840540 /nfs/dbraw/zinc/84/05/40/1013840540.db2.gz SOSAENIAGOUAKS-IBGZPJMESA-N 1 1 407.514 3.842 20 30 HHEDMO C=CCc1ccc(OCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c(OC)c1 ZINC000106154955 969295269 /nfs/dbraw/zinc/29/52/69/969295269.db2.gz DNQPQPGYYLCYIK-UHFFFAOYSA-N 1 1 408.542 3.845 20 30 HHEDMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCOc1ccccc1C#N ZINC000108718552 969413624 /nfs/dbraw/zinc/41/36/24/969413624.db2.gz CSOSXVVGFCVRAA-UHFFFAOYSA-N 1 1 402.292 3.579 20 30 HHEDMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCOc1ccccc1C#N ZINC000108718552 969413628 /nfs/dbraw/zinc/41/36/28/969413628.db2.gz CSOSXVVGFCVRAA-UHFFFAOYSA-N 1 1 402.292 3.579 20 30 HHEDMO Cc1cc(Br)c(NC(=O)CO[NH+]=C(N)CC(C)C)c(Br)c1 ZINC000109012226 969448286 /nfs/dbraw/zinc/44/82/86/969448286.db2.gz JMIXGIOVGNWOCQ-UHFFFAOYSA-N 1 1 421.133 3.793 20 30 HHEDMO C=CCNC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000111213521 969805520 /nfs/dbraw/zinc/80/55/20/969805520.db2.gz CHKQRYBRRWFFCN-UHFFFAOYSA-N 1 1 413.547 3.610 20 30 HHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000112544484 969815352 /nfs/dbraw/zinc/81/53/52/969815352.db2.gz ITSKDHZSFYFFBJ-LPHOPBHVSA-N 1 1 400.523 3.655 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000112548270 969815780 /nfs/dbraw/zinc/81/57/80/969815780.db2.gz ZMUDIMLRDJJAJU-FUHWJXTLSA-N 1 1 423.492 3.558 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000112548270 969815787 /nfs/dbraw/zinc/81/57/87/969815787.db2.gz ZMUDIMLRDJJAJU-FUHWJXTLSA-N 1 1 423.492 3.558 20 30 HHEDMO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000116402065 969891608 /nfs/dbraw/zinc/89/16/08/969891608.db2.gz YQQJGPYVFQFJDK-UHFFFAOYSA-N 1 1 418.541 3.972 20 30 HHEDMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccc(C#N)cc2)c1 ZINC000116453044 969896015 /nfs/dbraw/zinc/89/60/15/969896015.db2.gz GHUOMMRXTFGPJG-INIZCTEOSA-N 1 1 408.477 3.691 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccc(C#N)cc2)c1 ZINC000116453044 969896020 /nfs/dbraw/zinc/89/60/20/969896020.db2.gz GHUOMMRXTFGPJG-INIZCTEOSA-N 1 1 408.477 3.691 20 30 HHEDMO C[C@H](OC[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1 ZINC000116609119 969908458 /nfs/dbraw/zinc/90/84/58/969908458.db2.gz KEJKNZPLLKFUSB-OXJNMPFZSA-N 1 1 417.912 3.611 20 30 HHEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000195633041 969921520 /nfs/dbraw/zinc/92/15/20/969921520.db2.gz XTNJNRGYJMYTNO-UHFFFAOYSA-N 1 1 401.432 3.584 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000138343927 969989653 /nfs/dbraw/zinc/98/96/53/969989653.db2.gz PCYICFLEJLDOHL-IBGZPJMESA-N 1 1 414.303 3.723 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000138343927 969989660 /nfs/dbraw/zinc/98/96/60/969989660.db2.gz PCYICFLEJLDOHL-IBGZPJMESA-N 1 1 414.303 3.723 20 30 HHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000554481117 1013965046 /nfs/dbraw/zinc/96/50/46/1013965046.db2.gz WAVYATOFTQRVPZ-UHFFFAOYSA-N 1 1 417.598 3.587 20 30 HHEDMO CN(c1ccccc1CN1CCC(C#N)(c2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000554559746 1013977201 /nfs/dbraw/zinc/97/72/01/1013977201.db2.gz AYCBCHGGOHNQBD-UHFFFAOYSA-N 1 1 403.574 3.669 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH+]2CCC(CC#N)CC2)cc1 ZINC000554631974 1013994305 /nfs/dbraw/zinc/99/43/05/1013994305.db2.gz PNVMPQPMPQTBAA-UHFFFAOYSA-N 1 1 405.502 3.539 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000195587180 970532179 /nfs/dbraw/zinc/53/21/79/970532179.db2.gz SPWYPEYMURFHOX-UHFFFAOYSA-N 1 1 414.303 3.762 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000195587180 970532183 /nfs/dbraw/zinc/53/21/83/970532183.db2.gz SPWYPEYMURFHOX-UHFFFAOYSA-N 1 1 414.303 3.762 20 30 HHEDMO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000304488839 972601618 /nfs/dbraw/zinc/60/16/18/972601618.db2.gz MTPVPOIRMOEJDQ-INIZCTEOSA-N 1 1 412.481 3.888 20 30 HHEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000379704692 972772802 /nfs/dbraw/zinc/77/28/02/972772802.db2.gz KBGLQDZSRNQAMW-YJBOKZPZSA-N 1 1 403.935 3.543 20 30 HHEDMO N#Cc1ccsc1N1CC[C@@H]([NH2+][C@H]2CCOc3c(Br)cccc32)C1=O ZINC000409846165 973314344 /nfs/dbraw/zinc/31/43/44/973314344.db2.gz YCDXKAOVBUVFKU-LSDHHAIUSA-N 1 1 418.316 3.601 20 30 HHEDMO CC[N@@H+](CCC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1)CC1CC1 ZINC000409891248 973354178 /nfs/dbraw/zinc/35/41/78/973354178.db2.gz KXPMEKZJBZWBAF-UHFFFAOYSA-N 1 1 405.546 3.718 20 30 HHEDMO C=CCN1CC[C@@H]([N@@H+](CC)Cc2ccc(OCc3cccs3)c(OC)c2)C1=O ZINC000410318345 973862961 /nfs/dbraw/zinc/86/29/61/973862961.db2.gz WJLXYUUOOVSFMW-LJQANCHMSA-N 1 1 400.544 3.945 20 30 HHEDMO N#CC1(CCC[NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)CCOCC1 ZINC000410411904 974009808 /nfs/dbraw/zinc/00/98/08/974009808.db2.gz WIDCSWWTEMGUGD-UHFFFAOYSA-N 1 1 403.573 3.821 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000426176451 974286915 /nfs/dbraw/zinc/28/69/15/974286915.db2.gz MWHLXKCODAOJNV-GJZGRUSLSA-N 1 1 417.575 3.737 20 30 HHEDMO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000426479513 974475205 /nfs/dbraw/zinc/47/52/05/974475205.db2.gz LFZZBQATDZJREN-HSZRJFAPSA-N 1 1 400.567 3.905 20 30 HHEDMO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000426479513 974475212 /nfs/dbraw/zinc/47/52/12/974475212.db2.gz LFZZBQATDZJREN-HSZRJFAPSA-N 1 1 400.567 3.905 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)CC2)cc1 ZINC000426502998 974492525 /nfs/dbraw/zinc/49/25/25/974492525.db2.gz HDBBAMRWKDQFTO-JOCHJYFZSA-N 1 1 410.562 3.657 20 30 HHEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000426562057 974530095 /nfs/dbraw/zinc/53/00/95/974530095.db2.gz YVDXQXNFYXVKSX-FQEVSTJZSA-N 1 1 405.542 3.822 20 30 HHEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426797220 974667753 /nfs/dbraw/zinc/66/77/53/974667753.db2.gz APOYJBRAXAVXNU-KRWDZBQOSA-N 1 1 402.947 3.924 20 30 HHEDMO N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)cc2)nc1 ZINC000428531250 975825210 /nfs/dbraw/zinc/82/52/10/975825210.db2.gz FKEDKPSXSOZJCG-OAQYLSRUSA-N 1 1 414.465 3.564 20 30 HHEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428701634 975992568 /nfs/dbraw/zinc/99/25/68/975992568.db2.gz RVXZDPXXGIUDBR-FQEVSTJZSA-N 1 1 409.534 3.527 20 30 HHEDMO N#CCC[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000428963127 976251838 /nfs/dbraw/zinc/25/18/38/976251838.db2.gz CBYNAJORJONLNJ-XZOQPEGZSA-N 1 1 406.530 3.622 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@H](C3CCC3)C2)sc2c1CCCCC2 ZINC000429006084 976286263 /nfs/dbraw/zinc/28/62/63/976286263.db2.gz KNDHTIPMTXXJCM-QGZVFWFLSA-N 1 1 401.576 3.966 20 30 HHEDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000429186425 976476258 /nfs/dbraw/zinc/47/62/58/976476258.db2.gz GTLZGOTXRMUBPL-DEOSSOPVSA-N 1 1 406.530 3.588 20 30 HHEDMO COc1ccc(Br)c(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)c1 ZINC000429291397 976571341 /nfs/dbraw/zinc/57/13/41/976571341.db2.gz GGQYPYJDMZBBBG-UHFFFAOYSA-N 1 1 402.292 3.790 20 30 HHEDMO COc1ccc(Br)c(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)c1 ZINC000429291397 976571353 /nfs/dbraw/zinc/57/13/53/976571353.db2.gz GGQYPYJDMZBBBG-UHFFFAOYSA-N 1 1 402.292 3.790 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[N@H+](C4CCC4)C[C@H](C)C3)sc2C1 ZINC000429383553 976656494 /nfs/dbraw/zinc/65/64/94/976656494.db2.gz RADNMCIDPWHQFJ-DLBZAZTESA-N 1 1 414.619 3.879 20 30 HHEDMO N#CCCn1ncc(C(=O)N2CC[NH+](CCc3cccs3)CC2)c1-c1ccccc1 ZINC000429606435 976889968 /nfs/dbraw/zinc/88/99/68/976889968.db2.gz SXHSRAXXCGDCLB-UHFFFAOYSA-N 1 1 419.554 3.526 20 30 HHEDMO Cc1ccc2c(C[NH+]3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccc(O)c2n1 ZINC000429685240 976978783 /nfs/dbraw/zinc/97/87/83/976978783.db2.gz LFIQTBODSOBOBD-UHFFFAOYSA-N 1 1 415.453 3.691 20 30 HHEDMO C[C@H]1C[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000429810845 977085783 /nfs/dbraw/zinc/08/57/83/977085783.db2.gz CBHLXESZZTXDLK-SIKLNZKXSA-N 1 1 413.525 3.857 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430642652 977664667 /nfs/dbraw/zinc/66/46/67/977664667.db2.gz VSXRRHSLNNLNNK-UGKGYDQZSA-N 1 1 421.541 3.895 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430647230 977666703 /nfs/dbraw/zinc/66/67/03/977666703.db2.gz FFCQCLXUKZIXNI-PGRDOPGGSA-N 1 1 407.562 3.516 20 30 HHEDMO C=CCN1C(=O)N([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C(=O)[C@H]1Cc1ccccc1 ZINC000431224087 978104868 /nfs/dbraw/zinc/10/48/68/978104868.db2.gz MJOOOWAJRXJAOL-UEVCKROQSA-N 1 1 403.526 3.568 20 30 HHEDMO C=CCN1C(=O)N(C[C@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431265063 978150934 /nfs/dbraw/zinc/15/09/34/978150934.db2.gz GNMUHVSNUHUCBG-DHIUTWEWSA-N 1 1 403.526 3.713 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](Oc4ccncc4)C3)sc2C1 ZINC000431610380 978382925 /nfs/dbraw/zinc/38/29/25/978382925.db2.gz PXSRRPKXSLUTLK-NVXWUHKLSA-N 1 1 410.543 3.621 20 30 HHEDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000431906858 978591193 /nfs/dbraw/zinc/59/11/93/978591193.db2.gz JLTUMSHXINRSNW-MAUKXSAKSA-N 1 1 403.935 3.543 20 30 HHEDMO C=CCOc1ccc(CNc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)cc1Cl ZINC000432747215 978957256 /nfs/dbraw/zinc/95/72/56/978957256.db2.gz MMTUKMNXAUQYRT-UHFFFAOYSA-N 1 1 413.909 4.177 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433057857 979054076 /nfs/dbraw/zinc/05/40/76/979054076.db2.gz IOUUIDFSCGIVEM-FUHWJXTLSA-N 1 1 411.571 3.751 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433057857 979054081 /nfs/dbraw/zinc/05/40/81/979054081.db2.gz IOUUIDFSCGIVEM-FUHWJXTLSA-N 1 1 411.571 3.751 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@@H](O)Cc3ccccc3)sc2C1 ZINC000433065376 979056371 /nfs/dbraw/zinc/05/63/71/979056371.db2.gz CGAHMXWUEKCSIX-AEFFLSMTSA-N 1 1 411.571 3.609 20 30 HHEDMO Cc1cnc(C2CC[NH+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)s1 ZINC000433133732 979091830 /nfs/dbraw/zinc/09/18/30/979091830.db2.gz FKCIJGADEALVPT-UHFFFAOYSA-N 1 1 421.488 3.818 20 30 HHEDMO Cn1c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)nc2cc(Cl)ccc21 ZINC000433322981 979236224 /nfs/dbraw/zinc/23/62/24/979236224.db2.gz SUXAUVCCSIYYIU-UHFFFAOYSA-N 1 1 405.893 3.689 20 30 HHEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccc(C#N)cc1 ZINC000434327573 980092082 /nfs/dbraw/zinc/09/20/82/980092082.db2.gz QNYSQWCTQSBKME-NRFANRHFSA-N 1 1 415.497 3.528 20 30 HHEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CNc1ccc(C#N)cc1 ZINC000434360152 980114314 /nfs/dbraw/zinc/11/43/14/980114314.db2.gz OLLFARNHSNCGCR-QFIPXVFZSA-N 1 1 414.513 3.561 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686586 980339036 /nfs/dbraw/zinc/33/90/36/980339036.db2.gz ADKXXOFDCMRYIA-HNNXBMFYSA-N 1 1 423.586 3.848 20 30 HHEDMO COC(=O)[C@H](Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000434869243 980458264 /nfs/dbraw/zinc/45/82/64/980458264.db2.gz MLVDXVONKRMCOE-HSZRJFAPSA-N 1 1 420.513 3.617 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870152 980459076 /nfs/dbraw/zinc/45/90/76/980459076.db2.gz PJQYFTLOVIFMGY-UWJYYQICSA-N 1 1 408.571 3.747 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434870451 980459249 /nfs/dbraw/zinc/45/92/49/980459249.db2.gz QPQGBCZTUOFMDY-DYESRHJHSA-N 1 1 408.571 3.889 20 30 HHEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C2(c3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000435043094 980590593 /nfs/dbraw/zinc/59/05/93/980590593.db2.gz OVWBDRDDTSOAMJ-OALUTQOASA-N 1 1 403.526 3.515 20 30 HHEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c(-c2ccncc2)n1 ZINC000435127166 980658329 /nfs/dbraw/zinc/65/83/29/980658329.db2.gz ANTRIKOZPXPILC-NRFANRHFSA-N 1 1 415.497 3.967 20 30 HHEDMO COc1cc(C)c(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000435134734 980665757 /nfs/dbraw/zinc/66/57/57/980665757.db2.gz YVNWXCMLBDGNOC-UHFFFAOYSA-N 1 1 405.502 3.816 20 30 HHEDMO COc1ccc(C#N)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435760154 981019286 /nfs/dbraw/zinc/01/92/86/981019286.db2.gz NBEMPWVSHLQDFA-UHFFFAOYSA-N 1 1 402.498 3.927 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C3(c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 ZINC000436103067 981201441 /nfs/dbraw/zinc/20/14/41/981201441.db2.gz MRLABBORTIXESD-KDURUIRLSA-N 1 1 403.526 3.515 20 30 HHEDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436344052 981312935 /nfs/dbraw/zinc/31/29/35/981312935.db2.gz KIPQUHWUPLNAEQ-MOPGFXCFSA-N 1 1 420.557 3.773 20 30 HHEDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000436445129 981375732 /nfs/dbraw/zinc/37/57/32/981375732.db2.gz CAJQDXFRAFGRCI-UHFFFAOYSA-N 1 1 421.888 3.700 20 30 HHEDMO C[NH+](C)Cc1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000436699653 981519910 /nfs/dbraw/zinc/51/99/10/981519910.db2.gz WAGFMARKQPQDNR-MRXNPFEDSA-N 1 1 406.511 3.827 20 30 HHEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000448321144 981698081 /nfs/dbraw/zinc/69/80/81/981698081.db2.gz LOKWGRLDEPVXQZ-OAQYLSRUSA-N 1 1 420.513 3.526 20 30 HHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)c2C1 ZINC000437062065 981733409 /nfs/dbraw/zinc/73/34/09/981733409.db2.gz WMVKQQGSHUIKEO-UHFFFAOYSA-N 1 1 406.486 3.672 20 30 HHEDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)c2C1 ZINC000437062065 981733417 /nfs/dbraw/zinc/73/34/17/981733417.db2.gz WMVKQQGSHUIKEO-UHFFFAOYSA-N 1 1 406.486 3.672 20 30 HHEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000437150812 981800183 /nfs/dbraw/zinc/80/01/83/981800183.db2.gz LOIPHKVYCAOGGC-OAHLLOKOSA-N 1 1 410.428 3.885 20 30 HHEDMO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000448519354 981845480 /nfs/dbraw/zinc/84/54/80/981845480.db2.gz DGRGOURJSRGNQV-DVRPDQNBSA-N 1 1 422.573 3.907 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000460134112 981908747 /nfs/dbraw/zinc/90/87/47/981908747.db2.gz MGQSBJRQQDHBAD-QFIPXVFZSA-N 1 1 406.530 3.731 20 30 HHEDMO CCCN(C(=O)C(=O)Nc1cccc(C#N)c1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437349110 981999566 /nfs/dbraw/zinc/99/95/66/981999566.db2.gz VBVXHXUJPRIGCS-QFIPXVFZSA-N 1 1 418.541 3.708 20 30 HHEDMO CCn1c(-c2ccccc2C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460313656 982092347 /nfs/dbraw/zinc/09/23/47/982092347.db2.gz UBIIFIVVOXVWJQ-UHFFFAOYSA-N 1 1 400.530 3.857 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460396247 982176754 /nfs/dbraw/zinc/17/67/54/982176754.db2.gz XMDJLQSCBUJDLL-HKUYNNGSSA-N 1 1 413.566 3.705 20 30 HHEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460545552 982331974 /nfs/dbraw/zinc/33/19/74/982331974.db2.gz AGLZMRIMQUWVPU-KSEOMHKRSA-N 1 1 409.578 3.847 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)[C@H](C)C1 ZINC000460631928 982409301 /nfs/dbraw/zinc/40/93/01/982409301.db2.gz UFXUSQKUMRLDNE-NQIIRXRSSA-N 1 1 410.566 3.551 20 30 HHEDMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[N@H+]1C ZINC000437883701 982434793 /nfs/dbraw/zinc/43/47/93/982434793.db2.gz PAVGAUCPNLILPH-HRAATJIYSA-N 1 1 405.502 3.757 20 30 HHEDMO N#Cc1ccc(Oc2cccc(NC(=O)NCCCC[N@@H+]3CCC[C@H]3CO)c2)cc1 ZINC000438021932 982529106 /nfs/dbraw/zinc/52/91/06/982529106.db2.gz IFKBKSBNCOPLBK-FQEVSTJZSA-N 1 1 408.502 3.709 20 30 HHEDMO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460783868 982536359 /nfs/dbraw/zinc/53/63/59/982536359.db2.gz ZBYOIHJFPIWUKB-LQWHRVPQSA-N 1 1 411.550 3.533 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000438051291 982552856 /nfs/dbraw/zinc/55/28/56/982552856.db2.gz GKUYMHLAOHAMGJ-NEWSRXKRSA-N 1 1 411.468 3.560 20 30 HHEDMO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460931351 982669483 /nfs/dbraw/zinc/66/94/83/982669483.db2.gz KQHCBEZSNLRYLH-UHFFFAOYSA-N 1 1 409.578 3.930 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460960128 982691849 /nfs/dbraw/zinc/69/18/49/982691849.db2.gz PGVMLIIBPOFDNC-XLIONFOSSA-N 1 1 413.566 3.705 20 30 HHEDMO N#Cc1ccc([C@H](C(N)=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC000438513044 982852777 /nfs/dbraw/zinc/85/27/77/982852777.db2.gz YTZIAKDOXQHCLE-HSZRJFAPSA-N 1 1 402.542 3.605 20 30 HHEDMO C=CCc1cc(C[NH+]2CCN(c3ncnc4sc(C)cc43)CC2)cc(OC)c1O ZINC000438554950 982896513 /nfs/dbraw/zinc/89/65/13/982896513.db2.gz QBLLBJFNSMQTPN-UHFFFAOYSA-N 1 1 410.543 3.765 20 30 HHEDMO C[NH+](C)[C@@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1cccc(Cl)c1 ZINC000438599722 982929944 /nfs/dbraw/zinc/92/99/44/982929944.db2.gz DBYRTAJSZJVGMX-SOAGJPPSSA-N 1 1 412.921 3.716 20 30 HHEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000438627801 982948093 /nfs/dbraw/zinc/94/80/93/982948093.db2.gz BHTARRMFHDGUQM-KSSFIOAISA-N 1 1 412.456 3.836 20 30 HHEDMO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000438819918 983092953 /nfs/dbraw/zinc/09/29/53/983092953.db2.gz NMMSYNZWOSVRQB-LJQANCHMSA-N 1 1 418.513 3.995 20 30 HHEDMO C=CCOc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000461435071 983098409 /nfs/dbraw/zinc/09/84/09/983098409.db2.gz GXZSBBYTZFPPLQ-FGZHOGPDSA-N 1 1 406.526 3.854 20 30 HHEDMO C=CCOc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000461435072 983098532 /nfs/dbraw/zinc/09/85/32/983098532.db2.gz GXZSBBYTZFPPLQ-VXKWHMMOSA-N 1 1 406.526 3.854 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000439239177 983325291 /nfs/dbraw/zinc/32/52/91/983325291.db2.gz UBESOELXCGZNHE-SFHVURJKSA-N 1 1 417.962 3.744 20 30 HHEDMO N#CC1(NC(=O)C[NH+]2CCC(c3cccc(Br)c3)CC2)CCCCC1 ZINC000439326698 983366817 /nfs/dbraw/zinc/36/68/17/983366817.db2.gz VJZFJEOVAMKCED-UHFFFAOYSA-N 1 1 404.352 3.971 20 30 HHEDMO C[C@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1ccccc1C#N ZINC000439596075 983465185 /nfs/dbraw/zinc/46/51/85/983465185.db2.gz NEYAEKPWYHQZQU-SFHVURJKSA-N 1 1 402.498 3.900 20 30 HHEDMO CCCc1c(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cnn1-c1cccc(C#N)c1 ZINC000439676624 983496621 /nfs/dbraw/zinc/49/66/21/983496621.db2.gz WZAIAHFVTITTIE-NQIIRXRSSA-N 1 1 406.534 3.644 20 30 HHEDMO CCCc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439706648 983510108 /nfs/dbraw/zinc/51/01/08/983510108.db2.gz WGKYAAGASCANNE-DYESRHJHSA-N 1 1 408.550 3.890 20 30 HHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]2CCCC[C@@H]12 ZINC000439979705 983603578 /nfs/dbraw/zinc/60/35/78/983603578.db2.gz MOYUVZABGIVWMC-WAARBJQMSA-N 1 1 416.591 3.742 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000440048988 983625182 /nfs/dbraw/zinc/62/51/82/983625182.db2.gz WDHSWJZWXHOBKC-SIKLNZKXSA-N 1 1 421.541 3.701 20 30 HHEDMO C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1Cl ZINC000440061552 983628705 /nfs/dbraw/zinc/62/87/05/983628705.db2.gz KVFNGCLQUOWCFE-TZIWHRDSSA-N 1 1 424.932 3.638 20 30 HHEDMO CC[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1nccs1 ZINC000440688825 983853940 /nfs/dbraw/zinc/85/39/40/983853940.db2.gz BJZDUNWDPJNTNN-NRFANRHFSA-N 1 1 411.531 3.928 20 30 HHEDMO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2ccccc21 ZINC000441143047 984089052 /nfs/dbraw/zinc/08/90/52/984089052.db2.gz USCIKZXKTHENOB-LJQANCHMSA-N 1 1 423.538 3.600 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441204554 984114398 /nfs/dbraw/zinc/11/43/98/984114398.db2.gz NIYYDRDEBAPDRC-WOJBJXKFSA-N 1 1 424.545 3.695 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441272571 984152130 /nfs/dbraw/zinc/15/21/30/984152130.db2.gz AEXCSSYEHDDYQM-ZACQAIPSSA-N 1 1 401.576 3.964 20 30 HHEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000441327801 984187191 /nfs/dbraw/zinc/18/71/91/984187191.db2.gz BQZFQRRUEJYRFD-MGPUTAFESA-N 1 1 412.509 3.602 20 30 HHEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000441327801 984187197 /nfs/dbraw/zinc/18/71/97/984187197.db2.gz BQZFQRRUEJYRFD-MGPUTAFESA-N 1 1 412.509 3.602 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000441388979 984224984 /nfs/dbraw/zinc/22/49/84/984224984.db2.gz UEDINCIMLIULFH-CZUORRHYSA-N 1 1 410.331 3.911 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000441388977 984225073 /nfs/dbraw/zinc/22/50/73/984225073.db2.gz UEDINCIMLIULFH-CJNGLKHVSA-N 1 1 410.331 3.911 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441401835 984232788 /nfs/dbraw/zinc/23/27/88/984232788.db2.gz GRRFRIIINIQKER-OPYAIIAOSA-N 1 1 412.603 3.968 20 30 HHEDMO N#CCCN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000441411919 984237985 /nfs/dbraw/zinc/23/79/85/984237985.db2.gz OGNVIQPHJHKRPV-UWJYYQICSA-N 1 1 400.954 3.535 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000441420268 984241693 /nfs/dbraw/zinc/24/16/93/984241693.db2.gz YYDBTXJSIWXWQF-PGRDOPGGSA-N 1 1 414.981 3.844 20 30 HHEDMO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1C#N ZINC000441887618 984520305 /nfs/dbraw/zinc/52/03/05/984520305.db2.gz KEJALZTYVBLXMZ-LJQANCHMSA-N 1 1 424.932 3.630 20 30 HHEDMO Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1C#N ZINC000441887618 984520306 /nfs/dbraw/zinc/52/03/06/984520306.db2.gz KEJALZTYVBLXMZ-LJQANCHMSA-N 1 1 424.932 3.630 20 30 HHEDMO Cc1cccc(N2CCC(NC(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)[nH+]1 ZINC000442080658 984626658 /nfs/dbraw/zinc/62/66/58/984626658.db2.gz OHFFGJIXLHGNKQ-UHFFFAOYSA-N 1 1 419.407 3.951 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000461838573 984844657 /nfs/dbraw/zinc/84/46/57/984844657.db2.gz ZPSVSHQRJVGLKM-NYVOZVTQSA-N 1 1 422.577 3.552 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000462087048 985059051 /nfs/dbraw/zinc/05/90/51/985059051.db2.gz APVVZILYOZATHG-OAHLLOKOSA-N 1 1 412.457 3.516 20 30 HHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000462176516 985156245 /nfs/dbraw/zinc/15/62/45/985156245.db2.gz NXXAORNCQHHBDF-QHCPKHFHSA-N 1 1 414.571 3.502 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000462190525 985172809 /nfs/dbraw/zinc/17/28/09/985172809.db2.gz LXHYKBOFEZWFQB-WZONZLPQSA-N 1 1 412.493 3.996 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462231007 985212153 /nfs/dbraw/zinc/21/21/53/985212153.db2.gz IWKFRYMPERCMSF-HNNXBMFYSA-N 1 1 411.481 3.601 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)Cc1c[nH]c2ccccc12 ZINC000442873945 985254600 /nfs/dbraw/zinc/25/46/00/985254600.db2.gz AIZOXTJWPNOHQG-UHFFFAOYSA-N 1 1 421.545 3.955 20 30 HHEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1cccs1 ZINC000462304673 985290677 /nfs/dbraw/zinc/29/06/77/985290677.db2.gz XTNDNEQUYSSVBK-FZKQIMNGSA-N 1 1 409.964 3.635 20 30 HHEDMO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2=O)ccc1Br ZINC000462358494 985346497 /nfs/dbraw/zinc/34/64/97/985346497.db2.gz PRTKJMRECBPVJF-GOSISDBHSA-N 1 1 402.267 3.663 20 30 HHEDMO COc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000462483466 985439584 /nfs/dbraw/zinc/43/95/84/985439584.db2.gz LXBJFDBYBVGXOU-XMSQKQJNSA-N 1 1 406.530 3.761 20 30 HHEDMO CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC2(CCCC2)O1 ZINC000443325226 985494555 /nfs/dbraw/zinc/49/45/55/985494555.db2.gz FZMSJZATLVJVSO-UHFFFAOYSA-N 1 1 408.464 3.597 20 30 HHEDMO CC1(C)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC2(CCCC2)O1 ZINC000443325226 985494568 /nfs/dbraw/zinc/49/45/68/985494568.db2.gz FZMSJZATLVJVSO-UHFFFAOYSA-N 1 1 408.464 3.597 20 30 HHEDMO C[N@@H+](CCNC(=O)C1CCN(c2ccc(Cl)cc2C#N)CC1)Cc1ccccc1 ZINC000462911070 985842821 /nfs/dbraw/zinc/84/28/21/985842821.db2.gz NBXBYOYMEBVJOO-UHFFFAOYSA-N 1 1 410.949 3.676 20 30 HHEDMO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(F)c(C#N)c4)CC3)cc2NC1=O ZINC000468270210 985972322 /nfs/dbraw/zinc/97/23/22/985972322.db2.gz KRHNRQHHKHQUOE-AWEZNQCLSA-N 1 1 407.445 3.512 20 30 HHEDMO Cc1nc2ccccc2n1CCCCC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000463117260 986082107 /nfs/dbraw/zinc/08/21/07/986082107.db2.gz GLWCWIMBAJMCOT-CLOONOSVSA-N 1 1 413.525 3.861 20 30 HHEDMO Cc1nc2ccccc2n1CCCCC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000463117260 986082124 /nfs/dbraw/zinc/08/21/24/986082124.db2.gz GLWCWIMBAJMCOT-CLOONOSVSA-N 1 1 413.525 3.861 20 30 HHEDMO Cc1nc2ccccc2n1CCCCC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000463117263 986082364 /nfs/dbraw/zinc/08/23/64/986082364.db2.gz GLWCWIMBAJMCOT-UQBPGWFLSA-N 1 1 413.525 3.861 20 30 HHEDMO Cc1nc2ccccc2n1CCCCC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000463117263 986082376 /nfs/dbraw/zinc/08/23/76/986082376.db2.gz GLWCWIMBAJMCOT-UQBPGWFLSA-N 1 1 413.525 3.861 20 30 HHEDMO Cc1nc2ccccc2n1CCCCC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000463117261 986082543 /nfs/dbraw/zinc/08/25/43/986082543.db2.gz GLWCWIMBAJMCOT-DFBJGRDBSA-N 1 1 413.525 3.861 20 30 HHEDMO Cc1nc2ccccc2n1CCCCC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000463117261 986082553 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AMMVYEGXEREONA-GOSISDBHSA-N 1 1 401.601 3.745 20 30 HHEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccccc2OCc2ccccc2)c1 ZINC000548908192 1010756897 /nfs/dbraw/zinc/75/68/97/1010756897.db2.gz GZCSOUOZRAYXKY-UHFFFAOYSA-N 1 1 406.507 3.701 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H](C)C1 ZINC000522365481 1010960389 /nfs/dbraw/zinc/96/03/89/1010960389.db2.gz XQZKUTXCMDRAMW-XMSQKQJNSA-N 1 1 422.529 3.612 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000540605115 1011258689 /nfs/dbraw/zinc/25/86/89/1011258689.db2.gz FRFDWSJTCTVZHB-JOCHJYFZSA-N 1 1 408.933 3.571 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000536170883 1011302011 /nfs/dbraw/zinc/30/20/11/1011302011.db2.gz VTBYYNLYZJZGGP-VQTJNVASSA-N 1 1 401.432 3.802 20 30 HHEDMO C[C@@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[N@H+]1CCCC[C@H]1C ZINC000523053540 1011522732 /nfs/dbraw/zinc/52/27/32/1011522732.db2.gz VDQXWNBKYWTTBA-MSOLQXFVSA-N 1 1 420.513 3.668 20 30 HHEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000536342033 1011545609 /nfs/dbraw/zinc/54/56/09/1011545609.db2.gz HIRFKEBNBCHQTL-UHFFFAOYSA-N 1 1 420.542 3.518 20 30 HHEDMO C[N@@H+]1CC[C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000536372440 1011581765 /nfs/dbraw/zinc/58/17/65/1011581765.db2.gz RMPZDIHRPRBRRH-OFNKIYASSA-N 1 1 424.932 3.882 20 30 HHEDMO C[N@H+]1CC[C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000536372440 1011581777 /nfs/dbraw/zinc/58/17/77/1011581777.db2.gz RMPZDIHRPRBRRH-OFNKIYASSA-N 1 1 424.932 3.882 20 30 HHEDMO Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)sc2n1 ZINC000541085831 1011727603 /nfs/dbraw/zinc/72/76/03/1011727603.db2.gz XCCHLYQEEBXNTI-HNNXBMFYSA-N 1 1 401.495 3.849 20 30 HHEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000541097119 1011743184 /nfs/dbraw/zinc/74/31/84/1011743184.db2.gz IQLVPAIYSBIMCZ-INIZCTEOSA-N 1 1 400.914 3.593 20 30 HHEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105949 1011753167 /nfs/dbraw/zinc/75/31/67/1011753167.db2.gz AVTOPJPJXXWGPZ-JPYJTQIMSA-N 1 1 406.530 3.696 20 30 HHEDMO CCc1nsc(N2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)n1 ZINC000536671754 1011827687 /nfs/dbraw/zinc/82/76/87/1011827687.db2.gz XEBGBAVCEKTNBB-UHFFFAOYSA-N 1 1 421.574 3.590 20 30 HHEDMO C[N@H+](CC(=O)NCc1cccs1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000536683811 1011847557 /nfs/dbraw/zinc/84/75/57/1011847557.db2.gz OGMNYQYKIUHSFH-UHFFFAOYSA-N 1 1 405.523 3.947 20 30 HHEDMO C[N@@H+](CC(=O)NCc1cccs1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000536683811 1011847571 /nfs/dbraw/zinc/84/75/71/1011847571.db2.gz OGMNYQYKIUHSFH-UHFFFAOYSA-N 1 1 405.523 3.947 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C1 ZINC000551773350 1011933699 /nfs/dbraw/zinc/93/36/99/1011933699.db2.gz YPNLZMOSCUMVFP-GOSISDBHSA-N 1 1 416.525 3.534 20 30 HHEDMO C[C@@H](CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000552076303 1012093755 /nfs/dbraw/zinc/09/37/55/1012093755.db2.gz GDAJMXXTBMPUPW-IBGZPJMESA-N 1 1 422.548 3.941 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000552118499 1012135763 /nfs/dbraw/zinc/13/57/63/1012135763.db2.gz JYNUIJQHJSAOHB-UZUQRXQVSA-N 1 1 408.521 3.702 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000552118499 1012135773 /nfs/dbraw/zinc/13/57/73/1012135773.db2.gz JYNUIJQHJSAOHB-UZUQRXQVSA-N 1 1 408.521 3.702 20 30 HHEDMO CC[N@@H+](CCC1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1)CC(C)C ZINC000536923988 1012206902 /nfs/dbraw/zinc/20/69/02/1012206902.db2.gz GQUFOCYTZOQQRR-UHFFFAOYSA-N 1 1 414.594 3.815 20 30 HHEDMO C=CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000552242849 1012252800 /nfs/dbraw/zinc/25/28/00/1012252800.db2.gz GCJLHMBGWIXEJG-INIZCTEOSA-N 1 1 408.462 3.718 20 30 HHEDMO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000552242849 1012252819 /nfs/dbraw/zinc/25/28/19/1012252819.db2.gz GCJLHMBGWIXEJG-INIZCTEOSA-N 1 1 408.462 3.718 20 30 HHEDMO C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601597 1012397045 /nfs/dbraw/zinc/39/70/45/1012397045.db2.gz IVPKBBHOYDQDMS-MSOLQXFVSA-N 1 1 402.970 3.829 20 30 HHEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OC ZINC000537097652 1012460062 /nfs/dbraw/zinc/46/00/62/1012460062.db2.gz XRFAXDSAKQWVLH-NEPJUHHUSA-N 1 1 417.506 3.943 20 30 HHEDMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OC ZINC000537097653 1012460371 /nfs/dbraw/zinc/46/03/71/1012460371.db2.gz XRFAXDSAKQWVLH-NWDGAFQWSA-N 1 1 417.506 3.943 20 30 HHEDMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108450 1012479186 /nfs/dbraw/zinc/47/91/86/1012479186.db2.gz UHBAWZVQZCBOKJ-ROUUACIJSA-N 1 1 423.536 3.517 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000552479339 1012505243 /nfs/dbraw/zinc/50/52/43/1012505243.db2.gz PAICCTZKADVCLK-QZTJIDSGSA-N 1 1 401.580 3.703 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000552479339 1012505257 /nfs/dbraw/zinc/50/52/57/1012505257.db2.gz PAICCTZKADVCLK-QZTJIDSGSA-N 1 1 401.580 3.703 20 30 HHEDMO CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000541791856 1012664567 /nfs/dbraw/zinc/66/45/67/1012664567.db2.gz KNUPLTZJFBSNHX-HNNXBMFYSA-N 1 1 421.925 3.513 20 30 HHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537249647 1012695828 /nfs/dbraw/zinc/69/58/28/1012695828.db2.gz OAVZOOSVKVAQFE-LEWJYISDSA-N 1 1 410.587 3.930 20 30 HHEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000552784812 1012790369 /nfs/dbraw/zinc/79/03/69/1012790369.db2.gz BXWLNVNZWWQPDD-UHFFFAOYSA-N 1 1 412.461 3.989 20 30 HHEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542026074 1012920800 /nfs/dbraw/zinc/92/08/00/1012920800.db2.gz GRLLFVFJGBRBHP-HNNXBMFYSA-N 1 1 400.914 3.593 20 30 HHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccncc2Br)no1 ZINC001211975248 1071829181 /nfs/dbraw/zinc/82/91/81/1071829181.db2.gz APKCNHUNUUCDQM-CJNGLKHVSA-N 1 1 409.328 3.972 20 30 HHEDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 ZINC001126744099 1071846442 /nfs/dbraw/zinc/84/64/42/1071846442.db2.gz MHUCBVCJAHNMOI-PKTZIBPZSA-N 1 1 416.481 3.725 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000729810157 1072126163 /nfs/dbraw/zinc/12/61/63/1072126163.db2.gz VEBMUXIAOXTDJS-YBNHLDJLSA-N 1 1 424.497 3.533 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000729810155 1072126217 /nfs/dbraw/zinc/12/62/17/1072126217.db2.gz VEBMUXIAOXTDJS-XADARROHSA-N 1 1 424.497 3.533 20 30 HHEDMO COc1ccc(Cn2nc(C(=N)NC3CCC([NH+](C)C)CC3)c3ccccc32)cc1 ZINC001168312113 1072491745 /nfs/dbraw/zinc/49/17/45/1072491745.db2.gz KCAWHIXBIQTLON-UHFFFAOYSA-N 1 1 405.546 3.671 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000586875426 1072498804 /nfs/dbraw/zinc/49/88/04/1072498804.db2.gz QGIKOGCEZZBMHH-PKTZIBPZSA-N 1 1 414.509 3.767 20 30 HHEDMO N#CCOc1cccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000760567182 1072599078 /nfs/dbraw/zinc/59/90/78/1072599078.db2.gz MJIPVUWELFOWGG-LJQANCHMSA-N 1 1 417.431 3.541 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C#N ZINC000571780998 1072852922 /nfs/dbraw/zinc/85/29/22/1072852922.db2.gz NLDIWHHXXVAXJP-DEOSSOPVSA-N 1 1 411.594 3.838 20 30 HHEDMO C[C@@H]1[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000572196099 1073225230 /nfs/dbraw/zinc/22/52/30/1073225230.db2.gz JQPNKAOWOMSLLH-DVECYGJZSA-N 1 1 418.541 3.774 20 30 HHEDMO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555229424 1073275322 /nfs/dbraw/zinc/27/53/22/1073275322.db2.gz AUFIZPAKBYOKLS-HXUWFJFHSA-N 1 1 406.486 3.807 20 30 HHEDMO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000555240494 1073284464 /nfs/dbraw/zinc/28/44/64/1073284464.db2.gz KSUFQNAQPUIYIJ-UHFFFAOYSA-N 1 1 424.530 3.813 20 30 HHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1)C(C)C ZINC000588836987 1073297720 /nfs/dbraw/zinc/29/77/20/1073297720.db2.gz XBSCMMUVLJNQTH-UHFFFAOYSA-N 1 1 402.502 3.809 20 30 HHEDMO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000555265316 1073298599 /nfs/dbraw/zinc/29/85/99/1073298599.db2.gz HSPBBFUXTZOKCT-CTNGQTDRSA-N 1 1 401.599 3.839 20 30 HHEDMO C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000555266790 1073299064 /nfs/dbraw/zinc/29/90/64/1073299064.db2.gz GCSHSHMASQXURN-OAQYLSRUSA-N 1 1 419.614 3.527 20 30 HHEDMO N#Cc1cc(F)c(NCc2ccccc2C[NH+]2CCOCC2)cc1Br ZINC000589105314 1073435379 /nfs/dbraw/zinc/43/53/79/1073435379.db2.gz DSGLDNMZFNBTHY-UHFFFAOYSA-N 1 1 404.283 3.904 20 30 HHEDMO C=CCc1ccc(OCC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c(OC)c1 ZINC000592428217 1074757150 /nfs/dbraw/zinc/75/71/50/1074757150.db2.gz QJXQNTRQQAXGBG-GOSISDBHSA-N 1 1 410.514 3.834 20 30 HHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000574181077 1075171233 /nfs/dbraw/zinc/17/12/33/1075171233.db2.gz RXHSKRSRVLFQEJ-FQEVSTJZSA-N 1 1 400.542 3.540 20 30 HHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211022 1075544099 /nfs/dbraw/zinc/54/40/99/1075544099.db2.gz KIHHLOASSHCABL-QZTJIDSGSA-N 1 1 422.508 3.570 20 30 HHEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211022 1075544104 /nfs/dbraw/zinc/54/41/04/1075544104.db2.gz KIHHLOASSHCABL-QZTJIDSGSA-N 1 1 422.508 3.570 20 30 HHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211023 1075544200 /nfs/dbraw/zinc/54/42/00/1075544200.db2.gz KIHHLOASSHCABL-ROUUACIJSA-N 1 1 422.508 3.570 20 30 HHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211023 1075544209 /nfs/dbraw/zinc/54/42/09/1075544209.db2.gz KIHHLOASSHCABL-ROUUACIJSA-N 1 1 422.508 3.570 20 30 HHEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4ccc(C#N)cc42)CC3)cs1 ZINC001164694384 719805392 /nfs/dbraw/zinc/80/53/92/719805392.db2.gz XVZXSKWCOXBMDM-UHFFFAOYSA-N 1 1 404.543 3.901 20 30 HHEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c(C#N)n1)CC2 ZINC001164712011 720099195 /nfs/dbraw/zinc/09/91/95/720099195.db2.gz UBYKVXRRNQABMN-GOSISDBHSA-N 1 1 411.937 3.509 20 30 HHEDMO N#C[C@H](c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nn1)c1ccccc1F ZINC001164723972 720405167 /nfs/dbraw/zinc/40/51/67/720405167.db2.gz IIPODJCCRVCVJE-WWPVKYPJSA-N 1 1 414.488 3.519 20 30 HHEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900964 721515196 /nfs/dbraw/zinc/51/51/96/721515196.db2.gz VEQVWTPQOHTWLN-ZBFHGGJFSA-N 1 1 422.838 3.633 20 30 HHEDMO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908751 721564035 /nfs/dbraw/zinc/56/40/35/721564035.db2.gz 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WLTJNBHNFHFLPO-GOSISDBHSA-N 1 1 409.530 3.973 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000028109704 965041245 /nfs/dbraw/zinc/04/12/45/965041245.db2.gz NQZRYYQTWZWDIG-GOSISDBHSA-N 1 1 411.571 3.546 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000053721013 965254406 /nfs/dbraw/zinc/25/44/06/965254406.db2.gz MQCUFVXDRYGMRA-UHFFFAOYSA-N 1 1 417.431 3.690 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000053721013 965254412 /nfs/dbraw/zinc/25/44/12/965254412.db2.gz MQCUFVXDRYGMRA-UHFFFAOYSA-N 1 1 417.431 3.690 20 30 HHEDMO C[C@H]1C[NH+](CCOC2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)C[C@H](C)O1 ZINC000538005036 1013578608 /nfs/dbraw/zinc/57/86/08/1013578608.db2.gz SDLRQDVYPWYXHT-HOTGVXAUSA-N 1 1 411.468 3.672 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000029850776 965527312 /nfs/dbraw/zinc/52/73/12/965527312.db2.gz IGNATNZINZTNJP-QGZVFWFLSA-N 1 1 422.495 3.554 20 30 HHEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)Nc1cccc(Cl)c1 ZINC000029863205 965532116 /nfs/dbraw/zinc/53/21/16/965532116.db2.gz CAIKTMSOPCGTBT-UHFFFAOYSA-N 1 1 416.934 3.661 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)Nc1cccc(Cl)c1 ZINC000029863205 965532122 /nfs/dbraw/zinc/53/21/22/965532122.db2.gz CAIKTMSOPCGTBT-UHFFFAOYSA-N 1 1 416.934 3.661 20 30 HHEDMO C[C@H]1[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCC12CCOCC2 ZINC000542656570 1013584390 /nfs/dbraw/zinc/58/43/90/1013584390.db2.gz SKHBMSPODIYLKA-HZPDHXFCSA-N 1 1 401.576 3.964 20 30 HHEDMO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000058580612 965793387 /nfs/dbraw/zinc/79/33/87/965793387.db2.gz JTHLBLCJXALMPS-UHFFFAOYSA-N 1 1 404.558 3.898 20 30 HHEDMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000055430126 965861780 /nfs/dbraw/zinc/86/17/80/965861780.db2.gz SHSWOVCKOXNBIE-UHFFFAOYSA-N 1 1 415.497 3.935 20 30 HHEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000058967420 965975300 /nfs/dbraw/zinc/97/53/00/965975300.db2.gz JZALWWONAJRLGB-UHFFFAOYSA-N 1 1 407.905 3.806 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000060330087 966092012 /nfs/dbraw/zinc/09/20/12/966092012.db2.gz ZZXLKWABTAOZMK-OAHLLOKOSA-N 1 1 410.905 3.889 20 30 HHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000060356153 966108476 /nfs/dbraw/zinc/10/84/76/966108476.db2.gz VWAVVIKBSWSJRV-UHFFFAOYSA-N 1 1 423.582 3.545 20 30 HHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000060356153 966108495 /nfs/dbraw/zinc/10/84/95/966108495.db2.gz VWAVVIKBSWSJRV-UHFFFAOYSA-N 1 1 423.582 3.545 20 30 HHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055943165 966148567 /nfs/dbraw/zinc/14/85/67/966148567.db2.gz VGBJHTBNFKACQT-XLIONFOSSA-N 1 1 401.919 3.517 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000032490013 966271805 /nfs/dbraw/zinc/27/18/05/966271805.db2.gz AHMQRNIJYLJVKL-KRWDZBQOSA-N 1 1 400.498 3.784 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000032490013 966271811 /nfs/dbraw/zinc/27/18/11/966271811.db2.gz AHMQRNIJYLJVKL-KRWDZBQOSA-N 1 1 400.498 3.784 20 30 HHEDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000553836862 1013647524 /nfs/dbraw/zinc/64/75/24/1013647524.db2.gz VBWUPYYDARPOQF-UHFFFAOYSA-N 1 1 411.449 3.507 20 30 HHEDMO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000063750634 966946387 /nfs/dbraw/zinc/94/63/87/966946387.db2.gz DYKIUTZFNGUAAJ-UHFFFAOYSA-N 1 1 418.585 3.858 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3N3CCCC3)CC2)cc1 ZINC000043485479 966979283 /nfs/dbraw/zinc/97/92/83/966979283.db2.gz FZWYCFOMYVVTII-UHFFFAOYSA-N 1 1 403.530 3.898 20 30 HHEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)C(C)C ZINC000043490278 966982047 /nfs/dbraw/zinc/98/20/47/966982047.db2.gz SOGLBWDDDADFGO-HSZRJFAPSA-N 1 1 413.610 3.567 20 30 HHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000064140944 967063303 /nfs/dbraw/zinc/06/33/03/967063303.db2.gz BUZPPATZJIFFKL-MRXNPFEDSA-N 1 1 409.711 3.846 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000553923483 1013703945 /nfs/dbraw/zinc/70/39/45/1013703945.db2.gz SIPTVPLMNOTTPV-HNNXBMFYSA-N 1 1 407.396 3.602 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000553923483 1013703948 /nfs/dbraw/zinc/70/39/48/1013703948.db2.gz SIPTVPLMNOTTPV-HNNXBMFYSA-N 1 1 407.396 3.602 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 ZINC000045013998 967330890 /nfs/dbraw/zinc/33/08/90/967330890.db2.gz SBIYLPMPJYNQIK-UHFFFAOYSA-N 1 1 419.916 3.745 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 ZINC000045013998 967330901 /nfs/dbraw/zinc/33/09/01/967330901.db2.gz SBIYLPMPJYNQIK-UHFFFAOYSA-N 1 1 419.916 3.745 20 30 HHEDMO CC[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000065433107 967463141 /nfs/dbraw/zinc/46/31/41/967463141.db2.gz PWDOBIRILFEPKA-GOSISDBHSA-N 1 1 410.949 3.943 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000065527278 967508387 /nfs/dbraw/zinc/50/83/87/967508387.db2.gz KIFLXGWXQFVUFB-BGYRXZFFSA-N 1 1 411.594 3.536 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529860 967842215 /nfs/dbraw/zinc/84/22/15/967842215.db2.gz OUQIHHOEKBQDKV-CYBMUJFWSA-N 1 1 419.266 3.622 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529860 967842224 /nfs/dbraw/zinc/84/22/24/967842224.db2.gz OUQIHHOEKBQDKV-CYBMUJFWSA-N 1 1 419.266 3.622 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1C#N ZINC000047405654 968178699 /nfs/dbraw/zinc/17/86/99/968178699.db2.gz SJNQRRWIYOFFCC-KRWDZBQOSA-N 1 1 410.493 3.544 20 30 HHEDMO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000538261064 1013803186 /nfs/dbraw/zinc/80/31/86/1013803186.db2.gz MZPROEVAXWWJKX-LPHOPBHVSA-N 1 1 416.978 3.803 20 30 HHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000538261064 1013803194 /nfs/dbraw/zinc/80/31/94/1013803194.db2.gz MZPROEVAXWWJKX-LPHOPBHVSA-N 1 1 416.978 3.803 20 30 HHEDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(F)cc1 ZINC000538281164 1013819449 /nfs/dbraw/zinc/81/94/49/1013819449.db2.gz YRKCWEITAWQQGC-KXBFYZLASA-N 1 1 401.507 3.993 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000071952237 968905168 /nfs/dbraw/zinc/90/51/68/968905168.db2.gz RDMVKTXOAMKDFG-QHCPKHFHSA-N 1 1 402.542 3.654 20 30 HHEDMO CCOc1cccc([C@H]2C[C@H]2NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000538304535 1013838228 /nfs/dbraw/zinc/83/82/28/1013838228.db2.gz IGMKGDXIFBTWSJ-DNQXCXABSA-N 1 1 418.541 3.730 20 30 HHEDMO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000078440908 968997667 /nfs/dbraw/zinc/99/76/67/968997667.db2.gz XNNXCTWAJJEOTR-QZTJIDSGSA-N 1 1 407.514 3.676 20 30 HHEDMO CC(C)[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1cccs1 ZINC000538313925 1013844693 /nfs/dbraw/zinc/84/46/93/1013844693.db2.gz RZSQEKGBQZGFSN-OAQYLSRUSA-N 1 1 414.550 3.507 20 30 HHEDMO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000109013729 969449062 /nfs/dbraw/zinc/44/90/62/969449062.db2.gz OICZFEPWRSVXQZ-QGZVFWFLSA-N 1 1 403.486 3.774 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000109013729 969449063 /nfs/dbraw/zinc/44/90/63/969449063.db2.gz OICZFEPWRSVXQZ-QGZVFWFLSA-N 1 1 403.486 3.774 20 30 HHEDMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cc1 ZINC000554270076 1013885326 /nfs/dbraw/zinc/88/53/26/1013885326.db2.gz OZILMYZBOPGRNR-ZDUSSCGKSA-N 1 1 403.276 3.723 20 30 HHEDMO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000117271921 969945141 /nfs/dbraw/zinc/94/51/41/969945141.db2.gz YSISRQKRCNHGOE-QHCPKHFHSA-N 1 1 421.541 3.535 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000228535120 970124484 /nfs/dbraw/zinc/12/44/84/970124484.db2.gz QPLRPXHLUBGHFI-MAUKXSAKSA-N 1 1 419.460 3.954 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000228535120 970124489 /nfs/dbraw/zinc/12/44/89/970124489.db2.gz QPLRPXHLUBGHFI-MAUKXSAKSA-N 1 1 419.460 3.954 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000228535127 970124550 /nfs/dbraw/zinc/12/45/50/970124550.db2.gz QPLRPXHLUBGHFI-CRAIPNDOSA-N 1 1 419.460 3.954 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000228535127 970124554 /nfs/dbraw/zinc/12/45/54/970124554.db2.gz QPLRPXHLUBGHFI-CRAIPNDOSA-N 1 1 419.460 3.954 20 30 HHEDMO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000236953762 970194167 /nfs/dbraw/zinc/19/41/67/970194167.db2.gz BDORFKOICNTQCQ-OAQYLSRUSA-N 1 1 406.574 3.500 20 30 HHEDMO CN1CC[NH+](Cc2cccc(NCc3cn(CCC#N)nc3-c3ccccc3)c2)CC1 ZINC000237093419 970221320 /nfs/dbraw/zinc/22/13/20/970221320.db2.gz FXGQLKIJXJZFKF-UHFFFAOYSA-N 1 1 414.557 3.823 20 30 HHEDMO N#CCCn1cc(CNCC2([NH+]3CCCCC3)CCOCC2)c(-c2ccccc2)n1 ZINC000237829230 970376251 /nfs/dbraw/zinc/37/62/51/970376251.db2.gz SZDFTTQWGXLEMX-UHFFFAOYSA-N 1 1 407.562 3.588 20 30 HHEDMO CC(C)[C@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000248170312 970517844 /nfs/dbraw/zinc/51/78/44/970517844.db2.gz RLXPIZNXUFSHBA-VWLOTQADSA-N 1 1 404.558 3.579 20 30 HHEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000554773412 1014044468 /nfs/dbraw/zinc/04/44/68/1014044468.db2.gz XPPVLQNWDALVHL-KRWDZBQOSA-N 1 1 408.502 3.526 20 30 HHEDMO C=CCNC(=O)c1cccc(-c2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)c1 ZINC000554803223 1014051689 /nfs/dbraw/zinc/05/16/89/1014051689.db2.gz FGINJSUKAWGDEU-UHFFFAOYSA-N 1 1 422.395 3.838 20 30 HHEDMO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000409492336 972943434 /nfs/dbraw/zinc/94/34/34/972943434.db2.gz PVRUQMQRSONJCY-KBPBESRZSA-N 1 1 415.481 3.508 20 30 HHEDMO N#CC1(CCC[NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CCOCC1 ZINC000410311312 973854412 /nfs/dbraw/zinc/85/44/12/973854412.db2.gz DFCBOCVIXMUKRY-UHFFFAOYSA-N 1 1 410.345 3.852 20 30 HHEDMO C=CCN1CC[C@H]([N@@H+]2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)C1=O ZINC000410373331 973970444 /nfs/dbraw/zinc/97/04/44/973970444.db2.gz XARVPKFYBAKALY-QFIPXVFZSA-N 1 1 404.514 3.784 20 30 HHEDMO C=CCN1CC[C@H]([N@H+]2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)C1=O ZINC000410373331 973970455 /nfs/dbraw/zinc/97/04/55/973970455.db2.gz XARVPKFYBAKALY-QFIPXVFZSA-N 1 1 404.514 3.784 20 30 HHEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[N@H+]1CCCC[C@@H]1C ZINC000425940245 974049640 /nfs/dbraw/zinc/04/96/40/974049640.db2.gz ASKPBEOSEPMBHP-ROUUACIJSA-N 1 1 420.513 3.668 20 30 HHEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)CC1CCN(c2ccccn2)CC1 ZINC000426454526 974460922 /nfs/dbraw/zinc/46/09/22/974460922.db2.gz QFWSNGFDLYECGQ-UHFFFAOYSA-N 1 1 411.575 3.809 20 30 HHEDMO C=CCOc1ccc(C[NH2+]C2CCN(c3cc(C(=O)[O-])cc[nH+]3)CC2)cc1Cl ZINC000426647954 974581514 /nfs/dbraw/zinc/58/15/14/974581514.db2.gz PGEXTBUFXDTVBY-UHFFFAOYSA-N 1 1 401.894 3.757 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(c3cc(F)ccc3F)CC1)CCC2 ZINC000426833616 974698692 /nfs/dbraw/zinc/69/86/92/974698692.db2.gz LPKAFECNVBEONE-UHFFFAOYSA-N 1 1 416.497 3.537 20 30 HHEDMO C=CCC[C@@H](C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000427476910 975138238 /nfs/dbraw/zinc/13/82/38/975138238.db2.gz SPWMTIWCPXZDMV-JOCHJYFZSA-N 1 1 408.542 3.928 20 30 HHEDMO C=CCC[C@@H](C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000427476910 975138241 /nfs/dbraw/zinc/13/82/41/975138241.db2.gz SPWMTIWCPXZDMV-JOCHJYFZSA-N 1 1 408.542 3.928 20 30 HHEDMO Cc1cccc(C[NH+]2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)c1 ZINC000428324142 975628919 /nfs/dbraw/zinc/62/89/19/975628919.db2.gz DFJXKDMSBYHKKD-UHFFFAOYSA-N 1 1 413.525 3.730 20 30 HHEDMO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(=O)(=O)c1cccnc1C#N ZINC000428392841 975713793 /nfs/dbraw/zinc/71/37/93/975713793.db2.gz LHBHRFNJSMWUEP-CTXDPNEZSA-N 1 1 418.607 3.786 20 30 HHEDMO N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)o2)cc1 ZINC000428555539 975867159 /nfs/dbraw/zinc/86/71/59/975867159.db2.gz YJQNDLLRFNDDRV-HXUWFJFHSA-N 1 1 417.465 3.549 20 30 HHEDMO Cc1cccc(N2CCC(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)[nH+]1 ZINC000428736614 976018866 /nfs/dbraw/zinc/01/88/66/976018866.db2.gz UBBHKEPWWWWYJH-UHFFFAOYSA-N 1 1 414.513 3.566 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C2)nc1 ZINC000428801422 976079246 /nfs/dbraw/zinc/07/92/46/976079246.db2.gz FIEWIDFNQSNJRH-INIZCTEOSA-N 1 1 409.287 3.917 20 30 HHEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429036522 976321083 /nfs/dbraw/zinc/32/10/83/976321083.db2.gz SVEGBTIZIGWNSV-JOCHJYFZSA-N 1 1 406.530 3.900 20 30 HHEDMO CC(C)CCN(CCC#N)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000429065901 976352140 /nfs/dbraw/zinc/35/21/40/976352140.db2.gz QQSRWIGFTMGKJW-UHFFFAOYSA-N 1 1 411.550 3.767 20 30 HHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000429107531 976390026 /nfs/dbraw/zinc/39/00/26/976390026.db2.gz BRRFNVFWDMMVAK-INIZCTEOSA-N 1 1 407.396 3.701 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429262779 976550732 /nfs/dbraw/zinc/55/07/32/976550732.db2.gz GXYGTRVHBAKEFV-UHFFFAOYSA-N 1 1 410.474 3.765 20 30 HHEDMO COc1ccc(Br)c(C[N@H+](C)CCOc2ccc(C#N)cc2OC)c1 ZINC000429288230 976570145 /nfs/dbraw/zinc/57/01/45/976570145.db2.gz ARSPEVSOCBGGIP-UHFFFAOYSA-N 1 1 405.292 3.849 20 30 HHEDMO COc1ccc(Br)c(C[N@@H+](C)CCOc2ccc(C#N)cc2OC)c1 ZINC000429288230 976570153 /nfs/dbraw/zinc/57/01/53/976570153.db2.gz ARSPEVSOCBGGIP-UHFFFAOYSA-N 1 1 405.292 3.849 20 30 HHEDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H]1C(C)C ZINC000429354873 976620999 /nfs/dbraw/zinc/62/09/99/976620999.db2.gz PPUDBWWNDVZUPW-GUXCAODWSA-N 1 1 403.548 3.539 20 30 HHEDMO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429363744 976632922 /nfs/dbraw/zinc/63/29/22/976632922.db2.gz DPQSKAKGZZBVRO-GASCZTMLSA-N 1 1 404.942 3.508 20 30 HHEDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000429395041 976669203 /nfs/dbraw/zinc/66/92/03/976669203.db2.gz AYFOSXMGVXPVHS-NOZRDPDXSA-N 1 1 412.622 3.706 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1Cl ZINC000429394537 976669463 /nfs/dbraw/zinc/66/94/63/976669463.db2.gz QBCOBICLPHRPJU-QGZVFWFLSA-N 1 1 402.970 3.701 20 30 HHEDMO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1Cl ZINC000429727213 977016999 /nfs/dbraw/zinc/01/69/99/977016999.db2.gz UVGYNJQOIFZUGK-UHFFFAOYSA-N 1 1 401.869 3.970 20 30 HHEDMO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1OCCc2sccc21 ZINC000429828456 977098692 /nfs/dbraw/zinc/09/86/92/977098692.db2.gz OGJSHAKTLNLYOC-VGSWGCGISA-N 1 1 409.555 3.604 20 30 HHEDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1OCCc2sccc21 ZINC000429828456 977098703 /nfs/dbraw/zinc/09/87/03/977098703.db2.gz OGJSHAKTLNLYOC-VGSWGCGISA-N 1 1 409.555 3.604 20 30 HHEDMO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000430095809 977317349 /nfs/dbraw/zinc/31/73/49/977317349.db2.gz CFCJIUHZPUTMPC-JOCHJYFZSA-N 1 1 412.555 3.926 20 30 HHEDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000430095809 977317358 /nfs/dbraw/zinc/31/73/58/977317358.db2.gz CFCJIUHZPUTMPC-JOCHJYFZSA-N 1 1 412.555 3.926 20 30 HHEDMO C=CCOc1c(Br)cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OCC ZINC000430125675 977332951 /nfs/dbraw/zinc/33/29/51/977332951.db2.gz MPHLAKGHRUCJQO-HXUWFJFHSA-N 1 1 409.368 3.940 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430329313 977479999 /nfs/dbraw/zinc/47/99/99/977479999.db2.gz GVBVULSDDIZEFI-WBVHZDCISA-N 1 1 410.905 3.524 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430329311 977480072 /nfs/dbraw/zinc/48/00/72/977480072.db2.gz GVBVULSDDIZEFI-NVXWUHKLSA-N 1 1 410.905 3.524 20 30 HHEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430728415 977714751 /nfs/dbraw/zinc/71/47/51/977714751.db2.gz CJACAUPAAVGOKB-GUYCJALGSA-N 1 1 422.348 3.792 20 30 HHEDMO C=CC[N@H+](Cc1ccnn1-c1ccccc1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000430743605 977722823 /nfs/dbraw/zinc/72/28/23/977722823.db2.gz RUXOTSFTXLVSPF-SFHVURJKSA-N 1 1 415.501 3.606 20 30 HHEDMO COCCCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000431109600 978024111 /nfs/dbraw/zinc/02/41/11/978024111.db2.gz FGZCFBKQNOYBFA-UHFFFAOYSA-N 1 1 422.529 3.713 20 30 HHEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000431377984 978251949 /nfs/dbraw/zinc/25/19/49/978251949.db2.gz QTLQCGHBYKEHTE-GCJKJVERSA-N 1 1 418.541 3.596 20 30 HHEDMO Cc1c(C#N)cccc1NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000431694035 978440875 /nfs/dbraw/zinc/44/08/75/978440875.db2.gz GELGGVMOZNUAHQ-UHFFFAOYSA-N 1 1 405.546 3.586 20 30 HHEDMO N#CCCC[C@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000431824811 978539068 /nfs/dbraw/zinc/53/90/68/978539068.db2.gz VBYMPUMXOKAPIQ-QHCPKHFHSA-N 1 1 406.530 3.753 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432328411 978762781 /nfs/dbraw/zinc/76/27/81/978762781.db2.gz XEUVOYOLVGQUER-FQEVSTJZSA-N 1 1 418.541 3.790 20 30 HHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432453270 978820335 /nfs/dbraw/zinc/82/03/35/978820335.db2.gz IMRMKIFEEBAWHW-UHFFFAOYSA-N 1 1 406.530 3.824 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000432525692 978865180 /nfs/dbraw/zinc/86/51/80/978865180.db2.gz WHYCSJODVFHHTH-JOCHJYFZSA-N 1 1 418.541 3.838 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000432525693 978865310 /nfs/dbraw/zinc/86/53/10/978865310.db2.gz WHYCSJODVFHHTH-QFIPXVFZSA-N 1 1 418.541 3.838 20 30 HHEDMO CCOC(=O)c1c(C)oc2nc(C[NH2+][C@@H](CCCC#N)c3ccccc3)nc(N)c21 ZINC000433018332 979043327 /nfs/dbraw/zinc/04/33/27/979043327.db2.gz GRWPADMHWYCISD-INIZCTEOSA-N 1 1 407.474 3.815 20 30 HHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433285143 979215363 /nfs/dbraw/zinc/21/53/63/979215363.db2.gz GJFZHCSYDVOJFP-AWEZNQCLSA-N 1 1 404.333 3.885 20 30 HHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433285143 979215371 /nfs/dbraw/zinc/21/53/71/979215371.db2.gz GJFZHCSYDVOJFP-AWEZNQCLSA-N 1 1 404.333 3.885 20 30 HHEDMO N#CCCn1cc(CNC2CC[NH+](CCc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000433330482 979241822 /nfs/dbraw/zinc/24/18/22/979241822.db2.gz BZHXRMKJOSSOAF-UHFFFAOYSA-N 1 1 414.557 3.655 20 30 HHEDMO CC1(c2cc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)no2)CCCC1 ZINC000433825904 979604189 /nfs/dbraw/zinc/60/41/89/979604189.db2.gz JHOOITRFHIUATD-UHFFFAOYSA-N 1 1 407.518 4.118 20 30 HHEDMO CC1(c2cc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)no2)CCCC1 ZINC000433825904 979604195 /nfs/dbraw/zinc/60/41/95/979604195.db2.gz JHOOITRFHIUATD-UHFFFAOYSA-N 1 1 407.518 4.118 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000434788092 980398829 /nfs/dbraw/zinc/39/88/29/980398829.db2.gz XNQCDROAXFBPLT-QUCCMNQESA-N 1 1 404.297 3.784 20 30 HHEDMO COC(=O)[C@H](NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1cccc(C#N)c1 ZINC000434861212 980454686 /nfs/dbraw/zinc/45/46/86/980454686.db2.gz LOPMCQMQLBHOFA-HSZRJFAPSA-N 1 1 403.482 3.787 20 30 HHEDMO N#Cc1cccc(C2(C(=O)Nc3ccc4c(ccn4CC[NH+]4CCOCC4)c3)CC2)c1 ZINC000435023434 980578989 /nfs/dbraw/zinc/57/89/89/980578989.db2.gz KGLOOJGJEQGMLH-UHFFFAOYSA-N 1 1 414.509 3.515 20 30 HHEDMO C[N@@H+](CCc1ccc(Br)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000435053933 980598827 /nfs/dbraw/zinc/59/88/27/980598827.db2.gz YFHMIVLYZHAFLB-MRXNPFEDSA-N 1 1 404.333 3.662 20 30 HHEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448223559 981638008 /nfs/dbraw/zinc/63/80/08/981638008.db2.gz OQKGVFSSUBZHOD-XLIONFOSSA-N 1 1 405.464 3.715 20 30 HHEDMO CCn1c(-c2ccccc2F)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460297467 982074414 /nfs/dbraw/zinc/07/44/14/982074414.db2.gz DGRJNEYBSSUOOG-UHFFFAOYSA-N 1 1 404.493 3.688 20 30 HHEDMO COc1cc(CNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000460366177 982142443 /nfs/dbraw/zinc/14/24/43/982142443.db2.gz YRBCRGLVVCVHSI-CYGODWOOSA-N 1 1 406.530 3.523 20 30 HHEDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)C[C@H](C)O1 ZINC000437650905 982269661 /nfs/dbraw/zinc/26/96/61/982269661.db2.gz CBUVPOKBJVRQBO-CALCHBBNSA-N 1 1 407.505 3.871 20 30 HHEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460547039 982333604 /nfs/dbraw/zinc/33/36/04/982333604.db2.gz WKRQPRKLABFDKO-SIKLNZKXSA-N 1 1 419.577 3.917 20 30 HHEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460550818 982336955 /nfs/dbraw/zinc/33/69/55/982336955.db2.gz IEXUBQSXQRQOGG-FQEVSTJZSA-N 1 1 405.546 3.943 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437807086 982369061 /nfs/dbraw/zinc/36/90/61/982369061.db2.gz VWRUNOBHUOUIIW-YKCBXCCJSA-N 1 1 409.933 3.752 20 30 HHEDMO CC(C)Cn1c(-c2cccn2C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460590701 982374135 /nfs/dbraw/zinc/37/41/35/982374135.db2.gz DMTOLLZTSFUGKD-UHFFFAOYSA-N 1 1 417.561 3.524 20 30 HHEDMO N#CCCN(C(=O)CCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000437865411 982420514 /nfs/dbraw/zinc/42/05/14/982420514.db2.gz CPDHJBNJHZUSMX-JOCHJYFZSA-N 1 1 410.562 3.627 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1 ZINC000437901007 982449433 /nfs/dbraw/zinc/44/94/33/982449433.db2.gz IRFMLVNSCHMHHA-FCHUYYIVSA-N 1 1 408.933 3.985 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000437988182 982509042 /nfs/dbraw/zinc/50/90/42/982509042.db2.gz AIBCZHXDLKTJMX-AWDZXFJFSA-N 1 1 414.594 3.613 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000437988182 982509048 /nfs/dbraw/zinc/50/90/48/982509048.db2.gz AIBCZHXDLKTJMX-AWDZXFJFSA-N 1 1 414.594 3.613 20 30 HHEDMO CCOCCCn1c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC000460779247 982532092 /nfs/dbraw/zinc/53/20/92/982532092.db2.gz PEEJPRRHYQCPFC-UHFFFAOYSA-N 1 1 424.593 3.586 20 30 HHEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000438034681 982538225 /nfs/dbraw/zinc/53/82/25/982538225.db2.gz KRMVKGUYTMDOBI-UHFFFAOYSA-N 1 1 421.545 3.840 20 30 HHEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000438034681 982538229 /nfs/dbraw/zinc/53/82/29/982538229.db2.gz KRMVKGUYTMDOBI-UHFFFAOYSA-N 1 1 421.545 3.840 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460796175 982549165 /nfs/dbraw/zinc/54/91/65/982549165.db2.gz 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UWSFOGNNHKWMNP-MHECFPHRSA-N 1 1 408.498 3.526 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470964459 989028800 /nfs/dbraw/zinc/02/88/00/989028800.db2.gz YOHAZLKRBVXTTL-FUHWJXTLSA-N 1 1 414.619 3.879 20 30 HHEDMO COc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(OC)c1OC ZINC000464826096 989064871 /nfs/dbraw/zinc/06/48/71/989064871.db2.gz YSPMLJCQOKAVAV-WOJBJXKFSA-N 1 1 423.513 3.813 20 30 HHEDMO COc1cc(NC(=O)CC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(OC)c1OC ZINC000464826096 989064887 /nfs/dbraw/zinc/06/48/87/989064887.db2.gz YSPMLJCQOKAVAV-WOJBJXKFSA-N 1 1 423.513 3.813 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464834717 989076562 /nfs/dbraw/zinc/07/65/62/989076562.db2.gz SYKNHULZOPXERQ-IEBWSBKVSA-N 1 1 410.949 3.993 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000464837782 989082070 /nfs/dbraw/zinc/08/20/70/989082070.db2.gz ULGPDDCSYSGELX-VXKWHMMOSA-N 1 1 404.558 3.918 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464849592 989101517 /nfs/dbraw/zinc/10/15/17/989101517.db2.gz NZBSDEWREMMROC-IEBWSBKVSA-N 1 1 422.598 3.889 20 30 HHEDMO CCC[N@@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045335 989123252 /nfs/dbraw/zinc/12/32/52/989123252.db2.gz YXMVNKKQZFNQOS-IRXDYDNUSA-N 1 1 402.608 3.737 20 30 HHEDMO C=CCc1ccc(OCC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000464892628 989161896 /nfs/dbraw/zinc/16/18/96/989161896.db2.gz HZXNWNDKCOQPMN-FQEVSTJZSA-N 1 1 408.542 3.926 20 30 HHEDMO C[NH+](C)Cc1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1Br ZINC000471166651 989290979 /nfs/dbraw/zinc/29/09/79/989290979.db2.gz WOYTZJJDSFAXEQ-KRWDZBQOSA-N 1 1 411.303 3.703 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000471225739 989369036 /nfs/dbraw/zinc/36/90/36/989369036.db2.gz DXQZOTXSWQHOMR-JTSKRJEESA-N 1 1 407.562 3.566 20 30 HHEDMO C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000471255183 989400727 /nfs/dbraw/zinc/40/07/27/989400727.db2.gz QREXNDQFQDXTFI-QFIPXVFZSA-N 1 1 406.530 3.747 20 30 HHEDMO C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000471255183 989400729 /nfs/dbraw/zinc/40/07/29/989400729.db2.gz QREXNDQFQDXTFI-QFIPXVFZSA-N 1 1 406.530 3.747 20 30 HHEDMO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000471274924 989425928 /nfs/dbraw/zinc/42/59/28/989425928.db2.gz YXVYJMYGVIYWNS-FQEVSTJZSA-N 1 1 415.493 3.982 20 30 HHEDMO COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[NH+](C)C ZINC000465424548 989768587 /nfs/dbraw/zinc/76/85/87/989768587.db2.gz ULHYQGRMZKMTGU-BDTNDASRSA-N 1 1 406.530 3.779 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000471667362 989871684 /nfs/dbraw/zinc/87/16/84/989871684.db2.gz ZXCFKQSHQOGXQO-UHFFFAOYSA-N 1 1 402.542 3.897 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000471667362 989871690 /nfs/dbraw/zinc/87/16/90/989871690.db2.gz ZXCFKQSHQOGXQO-UHFFFAOYSA-N 1 1 402.542 3.897 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000471743655 989939218 /nfs/dbraw/zinc/93/92/18/989939218.db2.gz HVKPBCAPNAKYTO-CYFREDJKSA-N 1 1 400.526 3.931 20 30 HHEDMO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000471747086 989941609 /nfs/dbraw/zinc/94/16/09/989941609.db2.gz GKKKXGGHYCCDBL-IRLDBZIGSA-N 1 1 406.917 3.847 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000465576700 989945745 /nfs/dbraw/zinc/94/57/45/989945745.db2.gz RRSWVYOSUHQPOR-IBGZPJMESA-N 1 1 406.530 3.811 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)C2)n1 ZINC000471800843 989984742 /nfs/dbraw/zinc/98/47/42/989984742.db2.gz SUFNMCYQDUHULK-QHCPKHFHSA-N 1 1 423.605 3.593 20 30 HHEDMO Cc1nn(C)c(N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)c1C#N ZINC000471806271 989989900 /nfs/dbraw/zinc/98/99/00/989989900.db2.gz VXVLVCFBXMNOKN-UHFFFAOYSA-N 1 1 401.514 3.501 20 30 HHEDMO C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000465652169 990038591 /nfs/dbraw/zinc/03/85/91/990038591.db2.gz FFDAUKQYDDGFSR-JRGCBEDISA-N 1 1 408.571 3.976 20 30 HHEDMO C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000465652169 990038599 /nfs/dbraw/zinc/03/85/99/990038599.db2.gz FFDAUKQYDDGFSR-JRGCBEDISA-N 1 1 408.571 3.976 20 30 HHEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)C(C)C ZINC000471890104 990064095 /nfs/dbraw/zinc/06/40/95/990064095.db2.gz ZCZGNXUARYKAQF-KRWDZBQOSA-N 1 1 413.971 3.564 20 30 HHEDMO Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)CC2)[nH+]c1 ZINC000465954292 991094714 /nfs/dbraw/zinc/09/47/14/991094714.db2.gz KVPFNRCYNLIFQQ-FCHUYYIVSA-N 1 1 403.530 3.840 20 30 HHEDMO C[C@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466520967 991813810 /nfs/dbraw/zinc/81/38/10/991813810.db2.gz VJWRETUTPCBJQP-SIKLNZKXSA-N 1 1 418.541 3.774 20 30 HHEDMO CN(C(=O)Nc1ncccc1OCCCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466603118 991919583 /nfs/dbraw/zinc/91/95/83/991919583.db2.gz AJGPZQZMRHTEED-HXUWFJFHSA-N 1 1 407.518 3.892 20 30 HHEDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000467296105 992622322 /nfs/dbraw/zinc/62/23/22/992622322.db2.gz YQJXSKMFCGKSMH-LGVFNWMJSA-N 1 1 420.509 3.919 20 30 HHEDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000467296105 992622330 /nfs/dbraw/zinc/62/23/30/992622330.db2.gz YQJXSKMFCGKSMH-LGVFNWMJSA-N 1 1 420.509 3.919 20 30 HHEDMO Cc1nn(C)c(N2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)c1C#N ZINC000472173282 993217440 /nfs/dbraw/zinc/21/74/40/993217440.db2.gz OQAKMNPMXBZEGD-IBGZPJMESA-N 1 1 414.351 3.562 20 30 HHEDMO COC1CCC([N@@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000472234628 993263409 /nfs/dbraw/zinc/26/34/09/993263409.db2.gz WIGYKHUZWLFSOQ-UHFFFAOYSA-N 1 1 412.534 3.836 20 30 HHEDMO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)CC1 ZINC000480727031 993594618 /nfs/dbraw/zinc/59/46/18/993594618.db2.gz ALYADLHQIQBWIJ-UHFFFAOYSA-N 1 1 404.352 3.791 20 30 HHEDMO Cc1ccccc1Cc1nnc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000472745114 993675761 /nfs/dbraw/zinc/67/57/61/993675761.db2.gz DSBBQMFKHSFICK-UHFFFAOYSA-N 1 1 401.514 3.548 20 30 HHEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000480854803 993726962 /nfs/dbraw/zinc/72/69/62/993726962.db2.gz GDXMWYVBSDIMRM-UHFFFAOYSA-N 1 1 422.598 3.807 20 30 HHEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000480854803 993726975 /nfs/dbraw/zinc/72/69/75/993726975.db2.gz GDXMWYVBSDIMRM-UHFFFAOYSA-N 1 1 422.598 3.807 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185180 994016180 /nfs/dbraw/zinc/01/61/80/994016180.db2.gz WDMKSKISEKVRPT-FOVJLYNBSA-N 1 1 402.542 3.554 20 30 HHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185180 994016191 /nfs/dbraw/zinc/01/61/91/994016191.db2.gz WDMKSKISEKVRPT-FOVJLYNBSA-N 1 1 402.542 3.554 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1C#N ZINC000481269814 994087818 /nfs/dbraw/zinc/08/78/18/994087818.db2.gz PMBHVRXXGXIAIF-IBGZPJMESA-N 1 1 406.490 3.507 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]2c2ncc[nH]2)c1C#N ZINC000481269814 994087832 /nfs/dbraw/zinc/08/78/32/994087832.db2.gz PMBHVRXXGXIAIF-IBGZPJMESA-N 1 1 406.490 3.507 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1C#N ZINC000481408389 994242739 /nfs/dbraw/zinc/24/27/39/994242739.db2.gz MWPTVNXWXDWIJH-UTKZUKDTSA-N 1 1 412.509 3.526 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NCc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481571916 994408562 /nfs/dbraw/zinc/40/85/62/994408562.db2.gz OVVXPBYDWNHBTF-SZNDQCEHSA-N 1 1 404.457 3.894 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1ccc(F)c(F)c1 ZINC000481578138 994416318 /nfs/dbraw/zinc/41/63/18/994416318.db2.gz CFKHSWCMJXEECJ-NHCUHLMSSA-N 1 1 402.441 3.994 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1ccccc1Cn1cccn1)c1ccc(F)c(F)c1 ZINC000481589956 994435684 /nfs/dbraw/zinc/43/56/84/994435684.db2.gz AJFOPBBBWDAPDT-HSZRJFAPSA-N 1 1 410.468 3.733 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1 ZINC000481602566 994452048 /nfs/dbraw/zinc/45/20/48/994452048.db2.gz WTBJSVHAJINLIO-UNMCSNQZSA-N 1 1 404.432 3.911 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(F)c(F)c1 ZINC000481609251 994462328 /nfs/dbraw/zinc/46/23/28/994462328.db2.gz YCWKOFZWZIYLFT-NVAPDCRFSA-N 1 1 402.441 3.516 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@]3(C1)OCc1ccccc13)CCC2 ZINC000481717121 994578278 /nfs/dbraw/zinc/57/82/78/994578278.db2.gz ISGUUFZQHQSUCP-QHCPKHFHSA-N 1 1 407.539 3.959 20 30 HHEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481848632 994703990 /nfs/dbraw/zinc/70/39/90/994703990.db2.gz OZEOJTVCEIVDDB-APTRMMRNSA-N 1 1 403.526 3.839 20 30 HHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000481889532 994756997 /nfs/dbraw/zinc/75/69/97/994756997.db2.gz LYDUHKMJYUOJRR-VQIMIIECSA-N 1 1 401.919 3.517 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000482074281 995008532 /nfs/dbraw/zinc/00/85/32/995008532.db2.gz AKSPNYRUSMMKHO-DNQXCXABSA-N 1 1 418.541 3.553 20 30 HHEDMO CCN(C(=O)NCCOc1ccc(C#N)cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474035586 995025808 /nfs/dbraw/zinc/02/58/08/995025808.db2.gz UKWNEPWNWPZUDH-KNQAVFIVSA-N 1 1 406.530 3.804 20 30 HHEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)CC(C)(C)O ZINC000474178653 995168940 /nfs/dbraw/zinc/16/89/40/995168940.db2.gz UTLNZFGPRZZFLG-UHFFFAOYSA-N 1 1 414.525 3.585 20 30 HHEDMO CC1([N@@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000474287779 995280948 /nfs/dbraw/zinc/28/09/48/995280948.db2.gz YCTOUUPKTSFNKV-UHFFFAOYSA-N 1 1 405.498 3.738 20 30 HHEDMO N#CCSc1cccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000482517066 995527315 /nfs/dbraw/zinc/52/73/15/995527315.db2.gz FJVSWCNRZYTWDO-UHFFFAOYSA-N 1 1 414.962 3.508 20 30 HHEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000474798571 995714492 /nfs/dbraw/zinc/71/44/92/995714492.db2.gz DBCBNIKUVLYJCN-UHFFFAOYSA-N 1 1 420.557 3.691 20 30 HHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)N(CCC#N)c1ccccc1 ZINC000482961895 995884114 /nfs/dbraw/zinc/88/41/14/995884114.db2.gz PDBCUWGCAIIBNS-HUUCEWRRSA-N 1 1 401.308 3.830 20 30 HHEDMO C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000483099952 995973672 /nfs/dbraw/zinc/97/36/72/995973672.db2.gz FWYQMXRJZPUTCL-QAPCUYQASA-N 1 1 421.419 3.544 20 30 HHEDMO Cc1nc(SCC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000475315916 996065426 /nfs/dbraw/zinc/06/54/26/996065426.db2.gz YOVXQTFPVZTLJT-HXUWFJFHSA-N 1 1 408.571 3.704 20 30 HHEDMO 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N#CC1(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCN(Cc2ccccc2)CC1 ZINC000479210689 999327338 /nfs/dbraw/zinc/32/73/38/999327338.db2.gz DAEBHKVVKIUORD-UHFFFAOYSA-N 1 1 416.569 3.573 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000488305533 999431984 /nfs/dbraw/zinc/43/19/84/999431984.db2.gz FEEKTBHFCZQTOE-IAGOWNOFSA-N 1 1 402.564 3.655 20 30 HHEDMO CCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000479684525 999535817 /nfs/dbraw/zinc/53/58/17/999535817.db2.gz AWDUXZZBNBGYPU-ZEQRLZLVSA-N 1 1 407.558 3.675 20 30 HHEDMO Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000479879726 999634233 /nfs/dbraw/zinc/63/42/33/999634233.db2.gz AQEOOLUWZUWZEU-UHFFFAOYSA-N 1 1 411.509 3.672 20 30 HHEDMO Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000479879726 999634234 /nfs/dbraw/zinc/63/42/34/999634234.db2.gz AQEOOLUWZUWZEU-UHFFFAOYSA-N 1 1 411.509 3.672 20 30 HHEDMO Cn1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c(-c2ccc(C#N)cc2)n1 ZINC000479923440 999650292 /nfs/dbraw/zinc/65/02/92/999650292.db2.gz XWIJKFMMCJDGPP-UHFFFAOYSA-N 1 1 408.509 3.923 20 30 HHEDMO N#Cc1c(C#N)c2c(nc1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)CCCCCC2 ZINC000480084655 999712915 /nfs/dbraw/zinc/71/29/15/999712915.db2.gz KCYHSGWFWZEIJQ-PMACEKPBSA-N 1 1 415.541 3.531 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccc(C#N)cc1 ZINC000480195955 999741975 /nfs/dbraw/zinc/74/19/75/999741975.db2.gz OUNSEXJCFPQCJI-SJCJKPOMSA-N 1 1 405.317 3.890 20 30 HHEDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000480370402 999782732 /nfs/dbraw/zinc/78/27/32/999782732.db2.gz XXDZRQQRFPQSEZ-UHFFFAOYSA-N 1 1 420.904 3.745 20 30 HHEDMO COc1cc(N[C@H]2CCC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc(OC)c1 ZINC000490046665 999884466 /nfs/dbraw/zinc/88/44/66/999884466.db2.gz UYQMQABIGHBDTJ-SFHVURJKSA-N 1 1 419.485 3.702 20 30 HHEDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc(OC)c1 ZINC000490046665 999884468 /nfs/dbraw/zinc/88/44/68/999884468.db2.gz UYQMQABIGHBDTJ-SFHVURJKSA-N 1 1 419.485 3.702 20 30 HHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000490252063 999922073 /nfs/dbraw/zinc/92/20/73/999922073.db2.gz UHGRKPCXJSXHLY-GJULWVSJSA-N 1 1 413.468 3.944 20 30 HHEDMO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000490252063 999922074 /nfs/dbraw/zinc/92/20/74/999922074.db2.gz UHGRKPCXJSXHLY-GJULWVSJSA-N 1 1 413.468 3.944 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000490374591 999947344 /nfs/dbraw/zinc/94/73/44/999947344.db2.gz SVMUGGIPIZQTEF-RXVVDRJESA-N 1 1 406.530 3.635 20 30 HHEDMO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490797115 1000007472 /nfs/dbraw/zinc/00/74/72/1000007472.db2.gz NSLJEZJRWHOYAN-DENIHFKCSA-N 1 1 418.541 3.694 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1C#N ZINC000491051785 1000039393 /nfs/dbraw/zinc/03/93/93/1000039393.db2.gz PCPMOYWCPMBXSS-UHFFFAOYSA-N 1 1 422.554 3.680 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492542685 1000131710 /nfs/dbraw/zinc/13/17/10/1000131710.db2.gz UCKCMNHKWRPJQX-GOSISDBHSA-N 1 1 409.555 3.947 20 30 HHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492543736 1000131842 /nfs/dbraw/zinc/13/18/42/1000131842.db2.gz XJGSWJLSACNQGU-WUZYXKQASA-N 1 1 415.603 3.931 20 30 HHEDMO COc1cc([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)ccc1OCCO ZINC000492603664 1000134875 /nfs/dbraw/zinc/13/48/75/1000134875.db2.gz BPDFNJNBGIKEFA-ZDUSSCGKSA-N 1 1 405.292 3.551 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)C2=O)cc1 ZINC000492878358 1000147871 /nfs/dbraw/zinc/14/78/71/1000147871.db2.gz VGWPDXNMDJIBBL-QFIPXVFZSA-N 1 1 415.493 3.614 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)C2=O)cc1 ZINC000492878358 1000147872 /nfs/dbraw/zinc/14/78/72/1000147872.db2.gz VGWPDXNMDJIBBL-QFIPXVFZSA-N 1 1 415.493 3.614 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000494202196 1000360094 /nfs/dbraw/zinc/36/00/94/1000360094.db2.gz RZEULHNOBYPLGI-XMMPIXPASA-N 1 1 407.562 3.517 20 30 HHEDMO CN1C(=O)C[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@H]1c1ccc(F)c(F)c1 ZINC000494256920 1000393543 /nfs/dbraw/zinc/39/35/43/1000393543.db2.gz MYIIHIDRHDXEMT-IEBWSBKVSA-N 1 1 420.257 3.661 20 30 HHEDMO C=CCCc1ccccc1NC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000505059883 1000530300 /nfs/dbraw/zinc/53/03/00/1000530300.db2.gz BVTMBJSMPNSDIS-UHFFFAOYSA-N 1 1 412.578 3.603 20 30 HHEDMO Cc1cccc(C[NH+]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)c1 ZINC000505187851 1000606032 /nfs/dbraw/zinc/60/60/32/1000606032.db2.gz WNZBJMLVSMXGBC-UHFFFAOYSA-N 1 1 420.532 3.567 20 30 HHEDMO Cc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)n[nH]2)c(C)c1 ZINC000494841431 1000689032 /nfs/dbraw/zinc/68/90/32/1000689032.db2.gz BWDSNONOKKYBTB-UHFFFAOYSA-N 1 1 401.514 3.769 20 30 HHEDMO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494908987 1000724578 /nfs/dbraw/zinc/72/45/78/1000724578.db2.gz MMTXGDQBAXIRAV-DYESRHJHSA-N 1 1 412.578 3.867 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc([S@](C)=O)cc1 ZINC000494985421 1000763549 /nfs/dbraw/zinc/76/35/49/1000763549.db2.gz JWBLGXKCLKFCIU-NDEPHWFRSA-N 1 1 415.584 3.697 20 30 HHEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1)CCCC2 ZINC000495027472 1000787162 /nfs/dbraw/zinc/78/71/62/1000787162.db2.gz KUEVOHKWCOLGFR-GHTZIAJQSA-N 1 1 410.562 3.621 20 30 HHEDMO N#Cc1ccc(N2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000495071738 1000812858 /nfs/dbraw/zinc/81/28/58/1000812858.db2.gz BYMSFQGSGNVPQC-UHFFFAOYSA-N 1 1 412.419 3.684 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c1C#N ZINC000495214365 1000917550 /nfs/dbraw/zinc/91/75/50/1000917550.db2.gz VHQBICJVNSGIDG-QMHKHESXSA-N 1 1 400.567 3.903 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c1C#N ZINC000495214364 1000917700 /nfs/dbraw/zinc/91/77/00/1000917700.db2.gz VHQBICJVNSGIDG-MWTRTKDXSA-N 1 1 400.567 3.903 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000505784985 1001022131 /nfs/dbraw/zinc/02/21/31/1001022131.db2.gz RRSOQPIIIRTFKE-UYAOXDASSA-N 1 1 404.297 3.784 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)C1 ZINC000505789200 1001024428 /nfs/dbraw/zinc/02/44/28/1001024428.db2.gz ZZLYZGCADWECMH-MHECFPHRSA-N 1 1 413.562 3.796 20 30 HHEDMO C[C@@H](Cn1ccc2ccccc21)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505897502 1001086908 /nfs/dbraw/zinc/08/69/08/1001086908.db2.gz GDELLRTUJXXATE-FQEVSTJZSA-N 1 1 400.526 3.884 20 30 HHEDMO C[C@@H](Cn1ccc2ccccc21)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505897502 1001086914 /nfs/dbraw/zinc/08/69/14/1001086914.db2.gz GDELLRTUJXXATE-FQEVSTJZSA-N 1 1 400.526 3.884 20 30 HHEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)C[C@@H](C)O1 ZINC000505917776 1001099736 /nfs/dbraw/zinc/09/97/36/1001099736.db2.gz DKAMCZRXYRTIAD-RTBURBONSA-N 1 1 403.526 3.972 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)C[C@H](C)O1 ZINC000505917774 1001100102 /nfs/dbraw/zinc/10/01/02/1001100102.db2.gz DKAMCZRXYRTIAD-KDURUIRLSA-N 1 1 403.526 3.972 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)C[C@H](C)O1 ZINC000505917774 1001100107 /nfs/dbraw/zinc/10/01/07/1001100107.db2.gz DKAMCZRXYRTIAD-KDURUIRLSA-N 1 1 403.526 3.972 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000505919862 1001102068 /nfs/dbraw/zinc/10/20/68/1001102068.db2.gz VXWOUNICAIOKEX-PZJWPPBQSA-N 1 1 413.562 3.839 20 30 HHEDMO Cn1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2Cl)n1 ZINC000506088899 1001213182 /nfs/dbraw/zinc/21/31/82/1001213182.db2.gz YEMQCMDLXDHSTP-UHFFFAOYSA-N 1 1 405.933 3.930 20 30 HHEDMO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC000506462599 1001424194 /nfs/dbraw/zinc/42/41/94/1001424194.db2.gz IXGYNZVYKJFMGK-LJQANCHMSA-N 1 1 424.545 3.661 20 30 HHEDMO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC000506462599 1001424195 /nfs/dbraw/zinc/42/41/95/1001424195.db2.gz IXGYNZVYKJFMGK-LJQANCHMSA-N 1 1 424.545 3.661 20 30 HHEDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)nn1-c1cccc(C#N)c1 ZINC000507083468 1001797231 /nfs/dbraw/zinc/79/72/31/1001797231.db2.gz HOLCASNBBLLIBY-RBBKRZOGSA-N 1 1 419.916 3.881 20 30 HHEDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)nn1-c1cccc(C#N)c1 ZINC000507083468 1001797234 /nfs/dbraw/zinc/79/72/34/1001797234.db2.gz HOLCASNBBLLIBY-RBBKRZOGSA-N 1 1 419.916 3.881 20 30 HHEDMO N#Cc1cc(F)cc(C2(C(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)CC2)c1 ZINC000507172311 1001859896 /nfs/dbraw/zinc/85/98/96/1001859896.db2.gz AZQGFGRUYXCGQD-UHFFFAOYSA-N 1 1 413.443 3.788 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000507307673 1001987554 /nfs/dbraw/zinc/98/75/54/1001987554.db2.gz YPKBVMLUPUWATB-JPYJTQIMSA-N 1 1 405.583 3.751 20 30 HHEDMO C=CCCO[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000498600973 1002006899 /nfs/dbraw/zinc/00/68/99/1002006899.db2.gz LGVHRIYHSVDIPX-NRFANRHFSA-N 1 1 407.558 3.924 20 30 HHEDMO COc1cccc([C@H](C)[NH+]2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000507739275 1002319938 /nfs/dbraw/zinc/31/99/38/1002319938.db2.gz KFLBLGJFWQDZGN-INIZCTEOSA-N 1 1 412.921 3.538 20 30 HHEDMO CC(C)OCc1ccc(CNC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507804675 1002355138 /nfs/dbraw/zinc/35/51/38/1002355138.db2.gz HAWKQOHBQJAQLS-UHFFFAOYSA-N 1 1 421.541 3.643 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1 ZINC000507907142 1002441403 /nfs/dbraw/zinc/44/14/03/1002441403.db2.gz YJXXTBGIYKEWSO-HXUWFJFHSA-N 1 1 408.550 3.602 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1 ZINC000507907142 1002441408 /nfs/dbraw/zinc/44/14/08/1002441408.db2.gz YJXXTBGIYKEWSO-HXUWFJFHSA-N 1 1 408.550 3.602 20 30 HHEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499126762 1002511288 /nfs/dbraw/zinc/51/12/88/1002511288.db2.gz MXVPDFJCOHVHPQ-CVDCTZTESA-N 1 1 411.546 3.770 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000508151216 1002686168 /nfs/dbraw/zinc/68/61/68/1002686168.db2.gz PJRNWUUPWCLECV-SFHVURJKSA-N 1 1 419.460 3.956 20 30 HHEDMO CCC[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@H+]1CCOC ZINC000499444373 1002830722 /nfs/dbraw/zinc/83/07/22/1002830722.db2.gz SHOORRHIJYNVOV-QHCPKHFHSA-N 1 1 421.541 3.710 20 30 HHEDMO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508491088 1002973621 /nfs/dbraw/zinc/97/36/21/1002973621.db2.gz FLPWGCWGVYCCQK-FDDCHVKYSA-N 1 1 416.573 3.989 20 30 HHEDMO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508491091 1002973656 /nfs/dbraw/zinc/97/36/56/1002973656.db2.gz FLPWGCWGVYCCQK-JPYJTQIMSA-N 1 1 416.573 3.989 20 30 HHEDMO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508722478 1003162954 /nfs/dbraw/zinc/16/29/54/1003162954.db2.gz DKFNDECFOUZLEZ-GOSISDBHSA-N 1 1 405.550 3.689 20 30 HHEDMO C=CCn1c(CSc2ccc(C)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000508747002 1003183122 /nfs/dbraw/zinc/18/31/22/1003183122.db2.gz MLPNGPMGMOOTBY-UHFFFAOYSA-N 1 1 415.607 3.612 20 30 HHEDMO C=CCn1c(CSc2ccc(C)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000508747002 1003183124 /nfs/dbraw/zinc/18/31/24/1003183124.db2.gz MLPNGPMGMOOTBY-UHFFFAOYSA-N 1 1 415.607 3.612 20 30 HHEDMO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508792898 1003221482 /nfs/dbraw/zinc/22/14/82/1003221482.db2.gz OIWFJIBXNUSSBA-UHFFFAOYSA-N 1 1 415.444 3.648 20 30 HHEDMO CCC[C@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC[N@H+]1CCOC ZINC000499890817 1003226033 /nfs/dbraw/zinc/22/60/33/1003226033.db2.gz AKJZHTQKBLCKGJ-MSOLQXFVSA-N 1 1 404.580 3.903 20 30 HHEDMO 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C=C[C@@H](CC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1)c1ccccc1 ZINC000533989039 1008250710 /nfs/dbraw/zinc/25/07/10/1008250710.db2.gz UFRKKXNUZQCJLS-NRFANRHFSA-N 1 1 405.542 3.692 20 30 HHEDMO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC000518333276 1008265330 /nfs/dbraw/zinc/26/53/30/1008265330.db2.gz PYSXMXDRBATBQO-NRFANRHFSA-N 1 1 404.986 3.644 20 30 HHEDMO C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000518350357 1008271782 /nfs/dbraw/zinc/27/17/82/1008271782.db2.gz MRKUPUXTKIQNMR-SFHVURJKSA-N 1 1 412.493 3.922 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000540340759 1008388440 /nfs/dbraw/zinc/38/84/40/1008388440.db2.gz UDDFJDZBQSAPTE-VQTJNVASSA-N 1 1 420.561 3.745 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000540340759 1008388443 /nfs/dbraw/zinc/38/84/43/1008388443.db2.gz UDDFJDZBQSAPTE-VQTJNVASSA-N 1 1 420.561 3.745 20 30 HHEDMO C=CCOc1cccnc1C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000540391477 1008413518 /nfs/dbraw/zinc/41/35/18/1008413518.db2.gz XNQNYPXGAVGCPU-UHFFFAOYSA-N 1 1 408.502 3.632 20 30 HHEDMO C=CC[C@H](CO)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540413860 1008422915 /nfs/dbraw/zinc/42/29/15/1008422915.db2.gz ISUPBMRQPPNKIP-KVSKMBFKSA-N 1 1 413.484 3.572 20 30 HHEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000540448893 1008437632 /nfs/dbraw/zinc/43/76/32/1008437632.db2.gz PFSGMXDPLOXFGI-NRFANRHFSA-N 1 1 405.502 3.614 20 30 HHEDMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c(C)c1 ZINC000540511947 1008462341 /nfs/dbraw/zinc/46/23/41/1008462341.db2.gz FCSZCYIFLULFOY-FPOVZHCZSA-N 1 1 410.587 3.767 20 30 HHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000518935402 1008479170 /nfs/dbraw/zinc/47/91/70/1008479170.db2.gz DZKJRIVKYZFKTD-FQEVSTJZSA-N 1 1 412.578 3.730 20 30 HHEDMO C[NH+](C)[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(Cl)c1 ZINC000518990069 1008495937 /nfs/dbraw/zinc/49/59/37/1008495937.db2.gz LCKZMGOYDRASDB-NQIIRXRSSA-N 1 1 414.912 3.739 20 30 HHEDMO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519020732 1008503125 /nfs/dbraw/zinc/50/31/25/1008503125.db2.gz RHOYHZWTHHTKEN-PMOQBDJRSA-N 1 1 405.542 3.589 20 30 HHEDMO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000548948100 1008534379 /nfs/dbraw/zinc/53/43/79/1008534379.db2.gz NRJQVBLCUUPWCB-UHFFFAOYSA-N 1 1 409.559 3.735 20 30 HHEDMO C[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[N@H+]1CCC[C@H](C)C1 ZINC000542963214 1008535246 /nfs/dbraw/zinc/53/52/46/1008535246.db2.gz WRMCIYBFLXHEHW-LSDHHAIUSA-N 1 1 400.914 3.639 20 30 HHEDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000542962987 1008535457 /nfs/dbraw/zinc/53/54/57/1008535457.db2.gz UQXKLMZPFSDFGM-UHFFFAOYSA-N 1 1 418.476 3.541 20 30 HHEDMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1Cc1ccccc1 ZINC000549131229 1008702810 /nfs/dbraw/zinc/70/28/10/1008702810.db2.gz XVAKAEURWFYVRI-UHFFFAOYSA-N 1 1 414.557 3.719 20 30 HHEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000543247801 1008816520 /nfs/dbraw/zinc/81/65/20/1008816520.db2.gz JMEONHDFUQHKNU-MSOLQXFVSA-N 1 1 412.578 3.724 20 30 HHEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000549253122 1008824720 /nfs/dbraw/zinc/82/47/20/1008824720.db2.gz ZMQJNINHFCYPDA-GOSISDBHSA-N 1 1 408.575 3.785 20 30 HHEDMO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000549293311 1008867388 /nfs/dbraw/zinc/86/73/88/1008867388.db2.gz JAZYYMDNZJXKJZ-MJGOQNOKSA-N 1 1 415.969 3.895 20 30 HHEDMO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000519567196 1008910485 /nfs/dbraw/zinc/91/04/85/1008910485.db2.gz HNKYBSVFRJYCQT-QAPCUYQASA-N 1 1 403.958 3.960 20 30 HHEDMO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1nnc2ccccn21 ZINC000543472918 1009062889 /nfs/dbraw/zinc/06/28/89/1009062889.db2.gz OZFCFSHBDUJUFM-KKSFZXQISA-N 1 1 422.558 3.906 20 30 HHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C1 ZINC000549594666 1009221740 /nfs/dbraw/zinc/22/17/40/1009221740.db2.gz IFHARDSXUKRDKN-IRLDBZIGSA-N 1 1 422.577 3.554 20 30 HHEDMO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520194741 1009334241 /nfs/dbraw/zinc/33/42/41/1009334241.db2.gz CZYYBWSBOQAFIJ-INIZCTEOSA-N 1 1 410.909 3.812 20 30 HHEDMO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520194741 1009334256 /nfs/dbraw/zinc/33/42/56/1009334256.db2.gz CZYYBWSBOQAFIJ-INIZCTEOSA-N 1 1 410.909 3.812 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1C ZINC000543809443 1009372366 /nfs/dbraw/zinc/37/23/66/1009372366.db2.gz OMBWSAAJPSNEBA-IBGZPJMESA-N 1 1 419.447 3.892 20 30 HHEDMO CCCOc1ccc(Oc2ncccc2C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000549761824 1009378091 /nfs/dbraw/zinc/37/80/91/1009378091.db2.gz VLLFKDFYECURQS-UHFFFAOYSA-N 1 1 414.469 3.867 20 30 HHEDMO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000549770576 1009384790 /nfs/dbraw/zinc/38/47/90/1009384790.db2.gz OMAJSNYNYSNINO-FDDCHVKYSA-N 1 1 406.505 3.572 20 30 HHEDMO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000549801135 1009406912 /nfs/dbraw/zinc/40/69/12/1009406912.db2.gz CYWFKJMDZCBBLO-UHFFFAOYSA-N 1 1 423.524 3.626 20 30 HHEDMO Cc1nc(SCC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C#N)c(C)c1C ZINC000520354741 1009491410 /nfs/dbraw/zinc/49/14/10/1009491410.db2.gz YQECAWSLADSOKQ-IYBDPMFKSA-N 1 1 402.608 3.845 20 30 HHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000520437319 1009552266 /nfs/dbraw/zinc/55/22/66/1009552266.db2.gz RNNXYOFSYGTSJX-NFBKMPQASA-N 1 1 417.557 3.615 20 30 HHEDMO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520461606 1009570922 /nfs/dbraw/zinc/57/09/22/1009570922.db2.gz MRAOYFFRAIGJBY-NRFANRHFSA-N 1 1 418.501 3.750 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544142914 1009751839 /nfs/dbraw/zinc/75/18/39/1009751839.db2.gz DLYVQMDLJNWLKT-GOSISDBHSA-N 1 1 419.447 3.529 20 30 HHEDMO C[N@@H+](Cc1ccccc1CNS(=O)(=O)CC1(C#N)CCCC1)C1CCCCC1 ZINC000546799370 1009764418 /nfs/dbraw/zinc/76/44/18/1009764418.db2.gz OQUIBKBADLUUMA-UHFFFAOYSA-N 1 1 403.592 3.954 20 30 HHEDMO O=C(C[N@H+]1CC[C@@H](c2ccccc2F)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000550210638 1009777995 /nfs/dbraw/zinc/77/79/95/1009777995.db2.gz JSWWGDAHPUNQTA-QGZVFWFLSA-N 1 1 404.407 3.802 20 30 HHEDMO O=C(C[N@@H+]1CC[C@@H](c2ccccc2F)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000550210638 1009778006 /nfs/dbraw/zinc/77/80/06/1009778006.db2.gz JSWWGDAHPUNQTA-QGZVFWFLSA-N 1 1 404.407 3.802 20 30 HHEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1(C)C ZINC000546829981 1009787899 /nfs/dbraw/zinc/78/78/99/1009787899.db2.gz JTOUUTFZWRTMEG-MSOLQXFVSA-N 1 1 412.578 3.724 20 30 HHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1(C)C ZINC000546829981 1009787915 /nfs/dbraw/zinc/78/79/15/1009787915.db2.gz JTOUUTFZWRTMEG-MSOLQXFVSA-N 1 1 412.578 3.724 20 30 HHEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)c1 ZINC000544188969 1009791335 /nfs/dbraw/zinc/79/13/35/1009791335.db2.gz JVZCYCLDHIWBGW-RBBKRZOGSA-N 1 1 422.598 3.563 20 30 HHEDMO Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000520745482 1009814731 /nfs/dbraw/zinc/81/47/31/1009814731.db2.gz LORZXLZWGZPPJS-UHFFFAOYSA-N 1 1 404.514 3.862 20 30 HHEDMO CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546913555 1009871781 /nfs/dbraw/zinc/87/17/81/1009871781.db2.gz YSIUXSKMFKPMCO-JOCHJYFZSA-N 1 1 418.541 3.790 20 30 HHEDMO CC(C)[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000550430882 1009931267 /nfs/dbraw/zinc/93/12/67/1009931267.db2.gz CECYULXISRHVIJ-KSFYIVLOSA-N 1 1 403.592 3.946 20 30 HHEDMO CC(C)[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000550430882 1009931281 /nfs/dbraw/zinc/93/12/81/1009931281.db2.gz CECYULXISRHVIJ-KSFYIVLOSA-N 1 1 403.592 3.946 20 30 HHEDMO CC(C)[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000550430883 1009931652 /nfs/dbraw/zinc/93/16/52/1009931652.db2.gz CECYULXISRHVIJ-OPAMFIHVSA-N 1 1 403.592 3.946 20 30 HHEDMO CC(C)[C@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000550430883 1009931662 /nfs/dbraw/zinc/93/16/62/1009931662.db2.gz CECYULXISRHVIJ-OPAMFIHVSA-N 1 1 403.592 3.946 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544309991 1009933342 /nfs/dbraw/zinc/93/33/42/1009933342.db2.gz RIIKKWIYBGQIMX-NQIIRXRSSA-N 1 1 422.529 3.616 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000544335996 1009960209 /nfs/dbraw/zinc/96/02/09/1009960209.db2.gz LGDXOSJQVKOSNL-LJQANCHMSA-N 1 1 411.477 3.573 20 30 HHEDMO CC1(C)C[N@H+](C2(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)CCCCC2)CCO1 ZINC000550884211 1010240433 /nfs/dbraw/zinc/24/04/33/1010240433.db2.gz BPBROOYWNZKKEM-UHFFFAOYSA-N 1 1 424.467 3.516 20 30 HHEDMO N#Cc1ccc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cc1Cl ZINC000547954033 1010481344 /nfs/dbraw/zinc/48/13/44/1010481344.db2.gz KSJHGMUFFDJHKW-UHFFFAOYSA-N 1 1 408.889 3.751 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000521649553 1010524251 /nfs/dbraw/zinc/52/42/51/1010524251.db2.gz NTXQXWRKVKGKOT-PMACEKPBSA-N 1 1 403.526 3.996 20 30 HHEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](CC(C)C)[C@@H](C)c3ccccc3C)CC2)o1 ZINC000551422040 1010577232 /nfs/dbraw/zinc/57/72/32/1010577232.db2.gz OMVTYPVCEGJGBE-IBGZPJMESA-N 1 1 423.561 3.531 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000521733198 1010580619 /nfs/dbraw/zinc/58/06/19/1010580619.db2.gz SWEPLAHSCNVXBJ-HXUWFJFHSA-N 1 1 418.541 3.677 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000521733198 1010580628 /nfs/dbraw/zinc/58/06/28/1010580628.db2.gz SWEPLAHSCNVXBJ-HXUWFJFHSA-N 1 1 418.541 3.677 20 30 HHEDMO COCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000521859793 1010668999 /nfs/dbraw/zinc/66/89/99/1010668999.db2.gz SQCZWZASLPMKSX-MRXNPFEDSA-N 1 1 419.447 3.903 20 30 HHEDMO COCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000521859793 1010669005 /nfs/dbraw/zinc/66/90/05/1010669005.db2.gz SQCZWZASLPMKSX-MRXNPFEDSA-N 1 1 419.447 3.903 20 30 HHEDMO C[C@@]1(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000548759969 1010724808 /nfs/dbraw/zinc/72/48/08/1010724808.db2.gz OZPUOHMUCFBIOH-DEOSSOPVSA-N 1 1 417.557 3.703 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000548920771 1010760713 /nfs/dbraw/zinc/76/07/13/1010760713.db2.gz KZVAIBRUZKKNQI-IBGZPJMESA-N 1 1 420.532 3.988 20 30 HHEDMO N#CCCN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000551721910 1010761596 /nfs/dbraw/zinc/76/15/96/1010761596.db2.gz NKTLMDJFXQSTNX-UHFFFAOYSA-N 1 1 424.932 3.937 20 30 HHEDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000548933538 1010767688 /nfs/dbraw/zinc/76/76/88/1010767688.db2.gz FYRYMCJNTKDBBE-UHFFFAOYSA-N 1 1 400.866 3.669 20 30 HHEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000548933538 1010767695 /nfs/dbraw/zinc/76/76/95/1010767695.db2.gz FYRYMCJNTKDBBE-UHFFFAOYSA-N 1 1 400.866 3.669 20 30 HHEDMO CCc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(F)c(C#N)c3)CC2)cs1 ZINC000522093986 1010807176 /nfs/dbraw/zinc/80/71/76/1010807176.db2.gz ZZZWGFHPUAYGKG-UHFFFAOYSA-N 1 1 401.511 3.750 20 30 HHEDMO CCCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC000522096991 1010809756 /nfs/dbraw/zinc/80/97/56/1010809756.db2.gz GIDSRNGICQSOIJ-UHFFFAOYSA-N 1 1 404.558 3.682 20 30 HHEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000522633308 1011126005 /nfs/dbraw/zinc/12/60/05/1011126005.db2.gz KXKIYKBAXHLPGZ-LJQANCHMSA-N 1 1 413.905 3.845 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522758687 1011199571 /nfs/dbraw/zinc/19/95/71/1011199571.db2.gz JGPHLCNCAKDHQB-WMZOPIPTSA-N 1 1 417.497 3.702 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccccc3OC3CCC3)CC2)cc1 ZINC000522802632 1011234592 /nfs/dbraw/zinc/23/45/92/1011234592.db2.gz YYRXZUSLIUYTLT-UHFFFAOYSA-N 1 1 418.541 3.907 20 30 HHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(F)c1 ZINC000540734691 1011385507 /nfs/dbraw/zinc/38/55/07/1011385507.db2.gz SDCXYJPAKQQGQS-LJQANCHMSA-N 1 1 405.395 3.997 20 30 HHEDMO CC[C@H](C)n1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000536306533 1011499213 /nfs/dbraw/zinc/49/92/13/1011499213.db2.gz YPLVWKFIGQBOCK-SFHVURJKSA-N 1 1 405.546 3.951 20 30 HHEDMO CC[C@H](C)n1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000536306533 1011499222 /nfs/dbraw/zinc/49/92/22/1011499222.db2.gz YPLVWKFIGQBOCK-SFHVURJKSA-N 1 1 405.546 3.951 20 30 HHEDMO Cc1nnc([C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)[nH]1 ZINC000540866086 1011542496 /nfs/dbraw/zinc/54/24/96/1011542496.db2.gz WWEJOHPACYTPNS-HNNXBMFYSA-N 1 1 412.563 3.523 20 30 HHEDMO Cc1n[nH]c([C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000540866086 1011542509 /nfs/dbraw/zinc/54/25/09/1011542509.db2.gz WWEJOHPACYTPNS-HNNXBMFYSA-N 1 1 412.563 3.523 20 30 HHEDMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000540866086 1011542522 /nfs/dbraw/zinc/54/25/22/1011542522.db2.gz WWEJOHPACYTPNS-HNNXBMFYSA-N 1 1 412.563 3.523 20 30 HHEDMO Cc1nc([C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n[nH]1 ZINC000540866086 1011542533 /nfs/dbraw/zinc/54/25/33/1011542533.db2.gz WWEJOHPACYTPNS-HNNXBMFYSA-N 1 1 412.563 3.523 20 30 HHEDMO Cc1nc([C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n[nH]1 ZINC000540866086 1011542546 /nfs/dbraw/zinc/54/25/46/1011542546.db2.gz WWEJOHPACYTPNS-HNNXBMFYSA-N 1 1 412.563 3.523 20 30 HHEDMO C=CCSCCNC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000540959503 1011601969 /nfs/dbraw/zinc/60/19/69/1011601969.db2.gz YKBDEONASSCECA-UHFFFAOYSA-N 1 1 401.498 3.842 20 30 HHEDMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)N3CCC(CC#N)CC3)cc2)C[C@H]1C ZINC000540991923 1011624879 /nfs/dbraw/zinc/62/48/79/1011624879.db2.gz QYQSYYBIXHYFHG-BGYRXZFFSA-N 1 1 412.578 3.531 20 30 HHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000540993923 1011627992 /nfs/dbraw/zinc/62/79/92/1011627992.db2.gz ZSILUPOOGFRCFY-GOSISDBHSA-N 1 1 419.978 3.866 20 30 HHEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000536435780 1011657929 /nfs/dbraw/zinc/65/79/29/1011657929.db2.gz GHOYNDLXTHVWLV-SFHVURJKSA-N 1 1 413.905 3.533 20 30 HHEDMO N#Cc1ccc(OCCNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536488214 1011700909 /nfs/dbraw/zinc/70/09/09/1011700909.db2.gz MDMKQSCIIGGOOS-UHFFFAOYSA-N 1 1 418.541 3.635 20 30 HHEDMO Cc1ccc(OCCCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000523220833 1011708889 /nfs/dbraw/zinc/70/88/89/1011708889.db2.gz GKOSHRPDKJVGNZ-UHFFFAOYSA-N 1 1 406.530 3.553 20 30 HHEDMO N#Cc1cccc(OCc2ccoc2C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000523253147 1011736664 /nfs/dbraw/zinc/73/66/64/1011736664.db2.gz RTEOIOAZODWPOC-UHFFFAOYSA-N 1 1 415.493 3.908 20 30 HHEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[N@H+]1Cc1ccccc1 ZINC000541098504 1011744519 /nfs/dbraw/zinc/74/45/19/1011744519.db2.gz KSCDEURZRQKHSK-VQIMIIECSA-N 1 1 418.476 3.668 20 30 HHEDMO C=CCOc1c(Br)cc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1OCC ZINC000536679151 1011840868 /nfs/dbraw/zinc/84/08/68/1011840868.db2.gz UGSGWSQHQKKRJJ-UHFFFAOYSA-N 1 1 423.351 3.515 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1C ZINC000536749065 1011937372 /nfs/dbraw/zinc/93/73/72/1011937372.db2.gz HHPAIOXILFTHLY-FQEVSTJZSA-N 1 1 408.550 3.602 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1C ZINC000536749065 1011937383 /nfs/dbraw/zinc/93/73/83/1011937383.db2.gz HHPAIOXILFTHLY-FQEVSTJZSA-N 1 1 408.550 3.602 20 30 HHEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000536753621 1011943078 /nfs/dbraw/zinc/94/30/78/1011943078.db2.gz HELLPNCYSGKOSV-INIZCTEOSA-N 1 1 400.914 3.592 20 30 HHEDMO N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000541425372 1012174855 /nfs/dbraw/zinc/17/48/55/1012174855.db2.gz QCJFTHDGXZHVRZ-FQEVSTJZSA-N 1 1 417.557 3.714 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000523630289 1012213808 /nfs/dbraw/zinc/21/38/08/1012213808.db2.gz YESRFTGYWHKDIB-NOTZXAQLSA-N 1 1 418.541 3.920 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000523634670 1012220167 /nfs/dbraw/zinc/22/01/67/1012220167.db2.gz KAPMQBQNILRMNO-LJQANCHMSA-N 1 1 410.949 3.793 20 30 HHEDMO N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552211011 1012223991 /nfs/dbraw/zinc/22/39/91/1012223991.db2.gz FRLGDXMRLJGUIZ-FQEVSTJZSA-N 1 1 424.495 3.623 20 30 HHEDMO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000537070949 1012410615 /nfs/dbraw/zinc/41/06/15/1012410615.db2.gz ZWRLAQRLHAKXKX-HDICACEKSA-N 1 1 420.966 3.652 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1C#N ZINC000541617680 1012423347 /nfs/dbraw/zinc/42/33/47/1012423347.db2.gz DNQNUTQYDDDLKE-PMACEKPBSA-N 1 1 400.567 3.759 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1C#N ZINC000541617680 1012423356 /nfs/dbraw/zinc/42/33/56/1012423356.db2.gz DNQNUTQYDDDLKE-PMACEKPBSA-N 1 1 400.567 3.759 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](CCc3ccccc3)C1)CCC2 ZINC000541701715 1012550339 /nfs/dbraw/zinc/55/03/39/1012550339.db2.gz WZPRXKCIGRYGLN-GOSISDBHSA-N 1 1 409.555 3.771 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](CCc3ccccc3)C1)CCC2 ZINC000541701715 1012550353 /nfs/dbraw/zinc/55/03/53/1012550353.db2.gz WZPRXKCIGRYGLN-GOSISDBHSA-N 1 1 409.555 3.771 20 30 HHEDMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537161557 1012560931 /nfs/dbraw/zinc/56/09/31/1012560931.db2.gz OZXXZFSKDYLORI-MSOLQXFVSA-N 1 1 414.600 3.528 20 30 HHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537161557 1012560945 /nfs/dbraw/zinc/56/09/45/1012560945.db2.gz OZXXZFSKDYLORI-MSOLQXFVSA-N 1 1 414.600 3.528 20 30 HHEDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000537162180 1012562808 /nfs/dbraw/zinc/56/28/08/1012562808.db2.gz OEFMGNJXZMBHCS-RTWAWAEBSA-N 1 1 408.571 3.603 20 30 HHEDMO CCC[N@@H+](C)[C@H](CNC(=O)COc1ccc(C#N)cc1OC)c1ccc(Cl)cc1 ZINC000552683883 1012694336 /nfs/dbraw/zinc/69/43/36/1012694336.db2.gz KGWJGDQSMYQZDP-LJQANCHMSA-N 1 1 415.921 3.798 20 30 HHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](CC(=O)Nc3c(C#N)c4c(n3C[C@H]3CCCO3)CCCC4)C2)C1 ZINC000541949149 1012810377 /nfs/dbraw/zinc/81/03/77/1012810377.db2.gz NLUYWGDNBUFXFA-MPCDZSKCSA-N 1 1 424.589 3.868 20 30 HHEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552814777 1012822528 /nfs/dbraw/zinc/82/25/28/1012822528.db2.gz KWJAPFUAYKLVQW-QGZVFWFLSA-N 1 1 402.970 3.666 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541973585 1012839405 /nfs/dbraw/zinc/83/94/05/1012839405.db2.gz XPTMNSSZJRXTQF-XLIONFOSSA-N 1 1 424.570 3.827 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000524129627 1012911718 /nfs/dbraw/zinc/91/17/18/1012911718.db2.gz XWBOUYCMUOKIDM-UHFFFAOYSA-N 1 1 408.546 3.927 20 30 HHEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000542025749 1012920041 /nfs/dbraw/zinc/92/00/41/1012920041.db2.gz FIALOZMEPALPDD-DNVCBOLYSA-N 1 1 424.936 3.878 20 30 HHEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542026075 1012921161 /nfs/dbraw/zinc/92/11/61/1012921161.db2.gz GRLLFVFJGBRBHP-OAHLLOKOSA-N 1 1 400.914 3.593 20 30 HHEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542026216 1012921392 /nfs/dbraw/zinc/92/13/92/1012921392.db2.gz NXHAXZCLWPOGLI-MRXNPFEDSA-N 1 1 414.941 3.887 20 30 HHEDMO C[C@H](c1ccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)[NH+]1CCOCC1 ZINC000552951663 1012937495 /nfs/dbraw/zinc/93/74/95/1012937495.db2.gz DCOZNHRDWLRBBZ-YLJYHZDGSA-N 1 1 422.504 3.556 20 30 HHEDMO CC1(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552950830 1012937634 /nfs/dbraw/zinc/93/76/34/1012937634.db2.gz IQFDBCGWPVFXIN-LJQANCHMSA-N 1 1 414.981 3.951 20 30 HHEDMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000553060680 1013033724 /nfs/dbraw/zinc/03/37/24/1013033724.db2.gz JMTPXVVPHBLSNJ-QIJUGHKUSA-N 1 1 420.532 3.693 20 30 HHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C3OCCO3)cc2)no1 ZINC001211975702 1071829830 /nfs/dbraw/zinc/82/98/30/1071829830.db2.gz NTNVKNXNYYJGLC-OALUTQOASA-N 1 1 401.507 3.860 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)ccc1OCc1cccc(C#N)c1 ZINC000533309887 1071847828 /nfs/dbraw/zinc/84/78/28/1071847828.db2.gz XASKIJZNOXRZNE-OAQYLSRUSA-N 1 1 416.525 3.944 20 30 HHEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000729811863 1072121517 /nfs/dbraw/zinc/12/15/17/1072121517.db2.gz DXOQLUVLBWVEIO-MRXNPFEDSA-N 1 1 407.495 3.770 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000729811863 1072121521 /nfs/dbraw/zinc/12/15/21/1072121521.db2.gz DXOQLUVLBWVEIO-MRXNPFEDSA-N 1 1 407.495 3.770 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000729809519 1072125276 /nfs/dbraw/zinc/12/52/76/1072125276.db2.gz LFOJLOHYPGCZIS-KNQAVFIVSA-N 1 1 424.928 3.842 20 30 HHEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000729808927 1072125738 /nfs/dbraw/zinc/12/57/38/1072125738.db2.gz HCJSBXPSMFQFPP-SFHVURJKSA-N 1 1 416.319 3.506 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000729808927 1072125739 /nfs/dbraw/zinc/12/57/39/1072125739.db2.gz HCJSBXPSMFQFPP-SFHVURJKSA-N 1 1 416.319 3.506 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000729812245 1072127351 /nfs/dbraw/zinc/12/73/51/1072127351.db2.gz POXUWRZNNKSMEV-HXUWFJFHSA-N 1 1 410.539 3.964 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCSC[C@@H](C)C2)cc1 ZINC000488231546 1072140879 /nfs/dbraw/zinc/14/08/79/1072140879.db2.gz MFMXNJYIWXRBRK-HNNXBMFYSA-N 1 1 412.559 3.598 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCSC[C@@H](C)C2)cc1 ZINC000488231546 1072140882 /nfs/dbraw/zinc/14/08/82/1072140882.db2.gz MFMXNJYIWXRBRK-HNNXBMFYSA-N 1 1 412.559 3.598 20 30 HHEDMO Cc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000760382180 1072308522 /nfs/dbraw/zinc/30/85/22/1072308522.db2.gz MNPRPCNPERADJC-UHFFFAOYSA-N 1 1 420.513 3.503 20 30 HHEDMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000586769213 1072424480 /nfs/dbraw/zinc/42/44/80/1072424480.db2.gz DKFTVUJVOJWZSF-FQEVSTJZSA-N 1 1 405.951 3.767 20 30 HHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000587846439 1072707060 /nfs/dbraw/zinc/70/70/60/1072707060.db2.gz HOVSSPGBEXPZNF-SIKLNZKXSA-N 1 1 420.532 3.647 20 30 HHEDMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](Nc1cnc(N)nc1)c1ccnc2ccc(OC)cc21 ZINC001168380496 1072708218 /nfs/dbraw/zinc/70/82/18/1072708218.db2.gz CHCUCZVGXVEEAH-GZVBHOEUSA-N 1 1 416.529 3.665 20 30 HHEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000554930433 1072963730 /nfs/dbraw/zinc/96/37/30/1072963730.db2.gz ODAAZUBNNMQPCF-ZRZAMGCNSA-N 1 1 410.525 3.571 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000554975086 1073015593 /nfs/dbraw/zinc/01/55/93/1073015593.db2.gz ANQCCIBJHBMPAD-FCHUYYIVSA-N 1 1 418.541 3.588 20 30 HHEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555244118 1073286453 /nfs/dbraw/zinc/28/64/53/1073286453.db2.gz YAVPXLAMUOUINL-KDURUIRLSA-N 1 1 412.582 3.565 20 30 HHEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000555264048 1073295792 /nfs/dbraw/zinc/29/57/92/1073295792.db2.gz LYIHSELBXYUEKV-OAHLLOKOSA-N 1 1 421.387 3.780 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)c1C ZINC000588980050 1073369622 /nfs/dbraw/zinc/36/96/22/1073369622.db2.gz HQIRYKODDBLPBO-UHFFFAOYSA-N 1 1 404.514 3.570 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1C ZINC000588980050 1073369638 /nfs/dbraw/zinc/36/96/38/1073369638.db2.gz HQIRYKODDBLPBO-UHFFFAOYSA-N 1 1 404.514 3.570 20 30 HHEDMO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C#N)c4ccccc4n3)cc2F)CC1 ZINC000589041568 1073379346 /nfs/dbraw/zinc/37/93/46/1073379346.db2.gz DULVZQRGTHRCSZ-UHFFFAOYSA-N 1 1 403.461 3.640 20 30 HHEDMO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000591415386 1074280734 /nfs/dbraw/zinc/28/07/34/1074280734.db2.gz ZRBLEXNRNJWBCN-OAQYLSRUSA-N 1 1 404.558 3.503 20 30 HHEDMO CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591415386 1074280736 /nfs/dbraw/zinc/28/07/36/1074280736.db2.gz ZRBLEXNRNJWBCN-OAQYLSRUSA-N 1 1 404.558 3.503 20 30 HHEDMO CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591415386 1074280740 /nfs/dbraw/zinc/28/07/40/1074280740.db2.gz ZRBLEXNRNJWBCN-OAQYLSRUSA-N 1 1 404.558 3.503 20 30 HHEDMO C[N@@H+](CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1CCCC1 ZINC000573588076 1074560947 /nfs/dbraw/zinc/56/09/47/1074560947.db2.gz VUZISANWKBJQFR-UHFFFAOYSA-N 1 1 402.970 3.809 20 30 HHEDMO COc1cc(C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)ccc1O ZINC000760997006 1075107463 /nfs/dbraw/zinc/10/74/63/1075107463.db2.gz FQIUBJJWTKBTHC-SFHVURJKSA-N 1 1 414.465 3.602 20 30 HHEDMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N ZINC001545672256 1075695505 /nfs/dbraw/zinc/69/55/05/1075695505.db2.gz GSOXEOYEYINVCX-IAGOWNOFSA-N 1 1 402.974 3.848 20 30 HHEDMO N#CCc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)c1 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ZINC000030269070 965645411 /nfs/dbraw/zinc/64/54/11/965645411.db2.gz AIMOAZITHQNNDW-AWEZNQCLSA-N 1 1 401.507 3.975 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000030269070 965645417 /nfs/dbraw/zinc/64/54/17/965645417.db2.gz AIMOAZITHQNNDW-AWEZNQCLSA-N 1 1 401.507 3.975 20 30 HHEDMO Cc1sc(-c2ccco2)nc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000030572864 965734054 /nfs/dbraw/zinc/73/40/54/965734054.db2.gz LZRCTJDRPMRGNB-UHFFFAOYSA-N 1 1 406.511 3.931 20 30 HHEDMO Cc1sc(-c2ccco2)nc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000030572864 965734066 /nfs/dbraw/zinc/73/40/66/965734066.db2.gz LZRCTJDRPMRGNB-UHFFFAOYSA-N 1 1 406.511 3.931 20 30 HHEDMO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000058580407 965792999 /nfs/dbraw/zinc/79/29/99/965792999.db2.gz MQDNPCCBBXNCII-UHFFFAOYSA-N 1 1 404.558 3.553 20 30 HHEDMO CC(C)c1ccc(CCNC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000058580407 965793005 /nfs/dbraw/zinc/79/30/05/965793005.db2.gz MQDNPCCBBXNCII-UHFFFAOYSA-N 1 1 404.558 3.553 20 30 HHEDMO CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000058580366 965793092 /nfs/dbraw/zinc/79/30/92/965793092.db2.gz XTIQIUDLGLBVCK-UHFFFAOYSA-N 1 1 404.558 3.818 20 30 HHEDMO CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000058580366 965793099 /nfs/dbraw/zinc/79/30/99/965793099.db2.gz XTIQIUDLGLBVCK-UHFFFAOYSA-N 1 1 404.558 3.818 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000058580518 965793299 /nfs/dbraw/zinc/79/32/99/965793299.db2.gz WGHLJMLTHLTNOZ-SFHVURJKSA-N 1 1 420.340 3.817 20 30 HHEDMO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1Cl ZINC000059825678 966034078 /nfs/dbraw/zinc/03/40/78/966034078.db2.gz RXMPJMRKJRLBLD-UHFFFAOYSA-N 1 1 424.353 3.808 20 30 HHEDMO CC[N@@H+](CCC1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1)CC(C)C ZINC000538055779 1013631824 /nfs/dbraw/zinc/63/18/24/1013631824.db2.gz MMHQRUPYUGHQHA-UHFFFAOYSA-N 1 1 400.567 3.727 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000032768816 966326671 /nfs/dbraw/zinc/32/66/71/966326671.db2.gz XOJPGWIQAIDSRT-JOCHJYFZSA-N 1 1 424.545 3.797 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000032768816 966326677 /nfs/dbraw/zinc/32/66/77/966326677.db2.gz XOJPGWIQAIDSRT-JOCHJYFZSA-N 1 1 424.545 3.797 20 30 HHEDMO C=CCc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c(OC)c1 ZINC000036735729 966447289 /nfs/dbraw/zinc/44/72/89/966447289.db2.gz DUCACPNFCFNSQY-LJQANCHMSA-N 1 1 402.922 3.875 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000062046810 966606531 /nfs/dbraw/zinc/60/65/31/966606531.db2.gz SWOHFBPQGMXEFD-MRXNPFEDSA-N 1 1 424.932 3.841 20 30 HHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccc(Br)cc1 ZINC000063288401 966804355 /nfs/dbraw/zinc/80/43/55/966804355.db2.gz HZJAKEZXVSXZDH-SFHVURJKSA-N 1 1 421.291 3.785 20 30 HHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccc(Br)cc1 ZINC000063288401 966804359 /nfs/dbraw/zinc/80/43/59/966804359.db2.gz HZJAKEZXVSXZDH-SFHVURJKSA-N 1 1 421.291 3.785 20 30 HHEDMO C=CCN(CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)Cc1cccc(C#N)c1 ZINC000063300032 966807054 /nfs/dbraw/zinc/80/70/54/966807054.db2.gz YSNSGEMEDHXPAX-UHFFFAOYSA-N 1 1 416.569 3.589 20 30 HHEDMO CSc1ccc(NC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000042643476 966819315 /nfs/dbraw/zinc/81/93/15/966819315.db2.gz FDHINOGFCVDSHG-GOSISDBHSA-N 1 1 408.571 3.815 20 30 HHEDMO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccccc1Cl ZINC000063821663 966969005 /nfs/dbraw/zinc/96/90/05/966969005.db2.gz IOZAZNBVSLKKNH-FQEVSTJZSA-N 1 1 412.921 3.658 20 30 HHEDMO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000542837837 1013699660 /nfs/dbraw/zinc/69/96/60/1013699660.db2.gz SAXQNCYMDWLLDV-SFHVURJKSA-N 1 1 418.476 3.669 20 30 HHEDMO CC(C)C(=O)Nc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000044083853 967117985 /nfs/dbraw/zinc/11/79/85/967117985.db2.gz JPWNUDGNZVWJDU-UHFFFAOYSA-N 1 1 419.529 3.893 20 30 HHEDMO Cc1nc(SCC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c(C#N)c(C)c1C ZINC000064311207 967134148 /nfs/dbraw/zinc/13/41/48/967134148.db2.gz DVLUTJWWBNTKKS-GASCZTMLSA-N 1 1 402.608 3.843 20 30 HHEDMO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1OC(F)F ZINC000538144955 1013705383 /nfs/dbraw/zinc/70/53/83/1013705383.db2.gz MCAWZBRAKVVFEW-AWEZNQCLSA-N 1 1 411.412 3.635 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000045804675 967556914 /nfs/dbraw/zinc/55/69/14/967556914.db2.gz WKXVBBXOVKMCOQ-JKSUJKDBSA-N 1 1 416.953 3.509 20 30 HHEDMO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)c1 ZINC000553986464 1013738083 /nfs/dbraw/zinc/73/80/83/1013738083.db2.gz BAGXAIRDKLDXQP-UHFFFAOYSA-N 1 1 411.502 3.832 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000047127942 968061694 /nfs/dbraw/zinc/06/16/94/968061694.db2.gz JRIXHNIAVPBWSZ-KDURUIRLSA-N 1 1 406.530 3.509 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000047127942 968061706 /nfs/dbraw/zinc/06/17/06/968061706.db2.gz JRIXHNIAVPBWSZ-KDURUIRLSA-N 1 1 406.530 3.509 20 30 HHEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](COc2ccccc2)c2ccccc2)c1 ZINC000538217730 1013768869 /nfs/dbraw/zinc/76/88/69/1013768869.db2.gz HWFKXYIQKHCAAA-HSZRJFAPSA-N 1 1 406.507 3.742 20 30 HHEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H](C)C1 ZINC000554128952 1013811732 /nfs/dbraw/zinc/81/17/32/1013811732.db2.gz VWAMRQSBRCPDKO-GLDPYIMESA-N 1 1 403.526 3.940 20 30 HHEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)c2ccccc21 ZINC000096966419 969065644 /nfs/dbraw/zinc/06/56/44/969065644.db2.gz FUFHJZAXGXUJRB-UHFFFAOYSA-N 1 1 412.497 3.660 20 30 HHEDMO C=CCn1c(-c2cccnc2)nn(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c1=S ZINC000097506854 969149896 /nfs/dbraw/zinc/14/98/96/969149896.db2.gz FZVVPLGEAKQKDB-FQEVSTJZSA-N 1 1 406.559 3.608 20 30 HHEDMO Cc1oc(NC(=O)C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c(C#N)c1C ZINC000111040808 969765265 /nfs/dbraw/zinc/76/52/65/969765265.db2.gz ZPVJQLQKJGEUIA-UHFFFAOYSA-N 1 1 409.465 3.800 20 30 HHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000112544489 969815986 /nfs/dbraw/zinc/81/59/86/969815986.db2.gz ITSKDHZSFYFFBJ-VQIMIIECSA-N 1 1 400.523 3.655 20 30 HHEDMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1F ZINC000116401548 969891072 /nfs/dbraw/zinc/89/10/72/969891072.db2.gz SWHVLHRHZURTMO-MRXNPFEDSA-N 1 1 408.477 3.684 20 30 HHEDMO Cc1ccccc1-c1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000116401724 969891200 /nfs/dbraw/zinc/89/12/00/969891200.db2.gz HDSVKJFBJUILDA-UHFFFAOYSA-N 1 1 401.470 3.767 20 30 HHEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2c(n1)onc2C(C)C ZINC000195693753 969962542 /nfs/dbraw/zinc/96/25/42/969962542.db2.gz HUNGXXFDFZUBKT-UHFFFAOYSA-N 1 1 417.513 3.874 20 30 HHEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2c(n1)onc2C(C)C ZINC000195693753 969962551 /nfs/dbraw/zinc/96/25/51/969962551.db2.gz HUNGXXFDFZUBKT-UHFFFAOYSA-N 1 1 417.513 3.874 20 30 HHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000218894697 970086988 /nfs/dbraw/zinc/08/69/88/970086988.db2.gz OBDJDIZVSAHCMI-HZPDHXFCSA-N 1 1 423.483 3.741 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000226476366 970108821 /nfs/dbraw/zinc/10/88/21/970108821.db2.gz ZMUDIMLRDJJAJU-AEFFLSMTSA-N 1 1 423.492 3.558 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000226476366 970108824 /nfs/dbraw/zinc/10/88/24/970108824.db2.gz ZMUDIMLRDJJAJU-AEFFLSMTSA-N 1 1 423.492 3.558 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1F ZINC000144477578 970233478 /nfs/dbraw/zinc/23/34/78/970233478.db2.gz CCAKQRUVZWWYQG-JOCHJYFZSA-N 1 1 406.461 3.911 20 30 HHEDMO C=CCOc1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1OC ZINC000195569826 970518682 /nfs/dbraw/zinc/51/86/82/970518682.db2.gz PGMMOXPNBJVWCB-UHFFFAOYSA-N 1 1 418.335 3.740 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255958984 970612430 /nfs/dbraw/zinc/61/24/30/970612430.db2.gz JPPRQLSPKDZEHF-UYAOXDASSA-N 1 1 404.297 3.784 20 30 HHEDMO [NH2+]=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccccc1OC(F)(F)F ZINC000305265901 972611620 /nfs/dbraw/zinc/61/16/20/972611620.db2.gz YVFTWCSCOJNXIR-UHFFFAOYSA-N 1 1 421.467 3.524 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000409518923 972974260 /nfs/dbraw/zinc/97/42/60/972974260.db2.gz FDERINCBYGXACB-QZTJIDSGSA-N 1 1 410.331 3.913 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000409520369 972976346 /nfs/dbraw/zinc/97/63/46/972976346.db2.gz LESLROQKQIHROG-AWEZNQCLSA-N 1 1 410.331 3.770 20 30 HHEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1cccs1 ZINC000409734056 973208171 /nfs/dbraw/zinc/20/81/71/973208171.db2.gz NBMWEXSISJVWIE-DYESRHJHSA-N 1 1 405.527 3.618 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1cccs1 ZINC000409734059 973208678 /nfs/dbraw/zinc/20/86/78/973208678.db2.gz NBMWEXSISJVWIE-UWJYYQICSA-N 1 1 405.527 3.618 20 30 HHEDMO C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000409882887 973349299 /nfs/dbraw/zinc/34/92/99/973349299.db2.gz DKFNLXDZOVJQMS-PZJWPPBQSA-N 1 1 405.889 3.573 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000409882887 973349316 /nfs/dbraw/zinc/34/93/16/973349316.db2.gz DKFNLXDZOVJQMS-PZJWPPBQSA-N 1 1 405.889 3.573 20 30 HHEDMO C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000410374343 973971658 /nfs/dbraw/zinc/97/16/58/973971658.db2.gz YXOHEOGPPWPTOK-CEXWTWQISA-N 1 1 406.530 3.728 20 30 HHEDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000410392819 973990619 /nfs/dbraw/zinc/99/06/19/973990619.db2.gz QTEOSKZENBSZLM-QGZVFWFLSA-N 1 1 403.489 3.600 20 30 HHEDMO Cc1cc(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)ccc1Br ZINC000425911414 974025474 /nfs/dbraw/zinc/02/54/74/974025474.db2.gz BIVOGEQCMWTZLC-FQEVSTJZSA-N 1 1 404.352 3.745 20 30 HHEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674689 974594539 /nfs/dbraw/zinc/59/45/39/974594539.db2.gz LRKPADLNVGFPLX-QZTJIDSGSA-N 1 1 420.513 3.526 20 30 HHEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)C[C@@H]3C)sc2C1 ZINC000427019273 974830450 /nfs/dbraw/zinc/83/04/50/974830450.db2.gz JKUHKOPEBKHCQV-HOTGVXAUSA-N 1 1 402.608 3.735 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)C[C@@H]3C)sc2C1 ZINC000427019275 974831281 /nfs/dbraw/zinc/83/12/81/974831281.db2.gz JKUHKOPEBKHCQV-JKSUJKDBSA-N 1 1 402.608 3.735 20 30 HHEDMO C[C@]1(CNC(=O)CCCC(=O)Nc2ccccc2C#N)CCC[N@H+]1Cc1ccccc1 ZINC000428333180 975641221 /nfs/dbraw/zinc/64/12/21/975641221.db2.gz KLSMAMOKHWQTQM-RUZDIDTESA-N 1 1 418.541 3.838 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428779755 976053384 /nfs/dbraw/zinc/05/33/84/976053384.db2.gz DBDDZYHPMKCVNF-QHCPKHFHSA-N 1 1 410.539 3.720 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428779755 976053396 /nfs/dbraw/zinc/05/33/96/976053396.db2.gz DBDDZYHPMKCVNF-QHCPKHFHSA-N 1 1 410.539 3.720 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Br)cc4cccnc43)C2)nc1 ZINC000428799842 976077517 /nfs/dbraw/zinc/07/75/17/976077517.db2.gz BPSJVARJOICNHD-GOSISDBHSA-N 1 1 409.287 3.917 20 30 HHEDMO CC(C)[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H](C)c1ccccc1 ZINC000428851758 976139446 /nfs/dbraw/zinc/13/94/46/976139446.db2.gz RZNUJLIBPIELBJ-PZJWPPBQSA-N 1 1 410.587 3.929 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1C#N ZINC000429016181 976297184 /nfs/dbraw/zinc/29/71/84/976297184.db2.gz AVTKXKMGXKGETM-PMAPCBKXSA-N 1 1 419.573 3.566 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429032295 976315785 /nfs/dbraw/zinc/31/57/85/976315785.db2.gz WOQDHDUKEITOTK-XMMPIXPASA-N 1 1 418.541 3.547 20 30 HHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429039337 976324423 /nfs/dbraw/zinc/32/44/23/976324423.db2.gz DLUITNYUUOFGRP-XMMPIXPASA-N 1 1 423.557 3.684 20 30 HHEDMO C=CCC[C@H](NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000429079299 976364023 /nfs/dbraw/zinc/36/40/23/976364023.db2.gz AGGKSNFYIMPIDB-UNMCSNQZSA-N 1 1 407.562 3.599 20 30 HHEDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000429186429 976475983 /nfs/dbraw/zinc/47/59/83/976475983.db2.gz GTLZGOTXRMUBPL-XMMPIXPASA-N 1 1 406.530 3.588 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOC[C@H](C4CCC4)C3)sc2C1 ZINC000429228035 976520780 /nfs/dbraw/zinc/52/07/80/976520780.db2.gz QFXXLTITLPTIFV-DOTOQJQBSA-N 1 1 401.576 3.822 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOC[C@H](C3CCC3)C2)c1C#N ZINC000429244230 976532971 /nfs/dbraw/zinc/53/29/71/976532971.db2.gz FFBQXDQTJUAQBU-HXUWFJFHSA-N 1 1 424.545 3.695 20 30 HHEDMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)c1ccc(C#N)o1)CC2 ZINC000429808948 977083437 /nfs/dbraw/zinc/08/34/37/977083437.db2.gz LXQDSGAEGKKJIU-UHFFFAOYSA-N 1 1 417.465 3.979 20 30 HHEDMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)c1ccc(C#N)o1)CC2 ZINC000429808948 977083449 /nfs/dbraw/zinc/08/34/49/977083449.db2.gz LXQDSGAEGKKJIU-UHFFFAOYSA-N 1 1 417.465 3.979 20 30 HHEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cccc(SCC#N)c2)C[C@@H](C)O1 ZINC000429854559 977126183 /nfs/dbraw/zinc/12/61/83/977126183.db2.gz QEXLRIITLQWSOC-QZTJIDSGSA-N 1 1 409.555 3.841 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2cccc(SCC#N)c2)C[C@H](C)O1 ZINC000429854558 977126534 /nfs/dbraw/zinc/12/65/34/977126534.db2.gz QEXLRIITLQWSOC-HDICACEKSA-N 1 1 409.555 3.841 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2cccc(SCC#N)c2)C[C@H](C)O1 ZINC000429854558 977126542 /nfs/dbraw/zinc/12/65/42/977126542.db2.gz QEXLRIITLQWSOC-HDICACEKSA-N 1 1 409.555 3.841 20 30 HHEDMO N#CCCn1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c(-c2ccccc2)n1 ZINC000430093772 977316239 /nfs/dbraw/zinc/31/62/39/977316239.db2.gz IILVKYOMYBWUIM-UHFFFAOYSA-N 1 1 417.488 3.866 20 30 HHEDMO N#CCCn1cc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c(-c2ccccc2)n1 ZINC000430093772 977316243 /nfs/dbraw/zinc/31/62/43/977316243.db2.gz IILVKYOMYBWUIM-UHFFFAOYSA-N 1 1 417.488 3.866 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1C ZINC000430308182 977466895 /nfs/dbraw/zinc/46/68/95/977466895.db2.gz ZWUPGHJJRHNPDR-OAQYLSRUSA-N 1 1 418.541 3.535 20 30 HHEDMO CN(C(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)c1ccccc1 ZINC000430317329 977472503 /nfs/dbraw/zinc/47/25/03/977472503.db2.gz IBPNEFZYAVZEKT-GOSISDBHSA-N 1 1 402.416 3.922 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430340668 977488222 /nfs/dbraw/zinc/48/82/22/977488222.db2.gz GUICNCWXJRYDRI-SFHVURJKSA-N 1 1 409.555 3.888 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430340668 977488224 /nfs/dbraw/zinc/48/82/24/977488224.db2.gz GUICNCWXJRYDRI-SFHVURJKSA-N 1 1 409.555 3.888 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3c(F)cc(F)c(F)c3F)CC2)cc1 ZINC000430965906 977917765 /nfs/dbraw/zinc/91/77/65/977917765.db2.gz LVXJVYXYWOXXSA-UHFFFAOYSA-N 1 1 420.410 3.532 20 30 HHEDMO C=CCN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000431139324 978043605 /nfs/dbraw/zinc/04/36/05/978043605.db2.gz OJODNHIVXNKFQP-UHFFFAOYSA-N 1 1 420.557 3.613 20 30 HHEDMO CCCN(C(=O)c1cccs1)C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000431158816 978059992 /nfs/dbraw/zinc/05/99/92/978059992.db2.gz DTWOMMQQKZGGOV-VGOFRKELSA-N 1 1 418.607 3.508 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431671078 978424890 /nfs/dbraw/zinc/42/48/90/978424890.db2.gz BQSPZOYOVYCEDJ-GBXCKJPGSA-N 1 1 420.557 3.769 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)cc1F ZINC000432534725 978870286 /nfs/dbraw/zinc/87/02/86/978870286.db2.gz LYLBLTNBCMPISB-UHFFFAOYSA-N 1 1 419.460 3.617 20 30 HHEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000432849105 978991242 /nfs/dbraw/zinc/99/12/42/978991242.db2.gz ZFISNVWUPKSRBE-HSZRJFAPSA-N 1 1 406.486 3.919 20 30 HHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433320318 979234813 /nfs/dbraw/zinc/23/48/13/979234813.db2.gz RTTDDVKYOOHNCO-MDYRTPRTSA-N 1 1 406.368 3.756 20 30 HHEDMO COc1cc(C[N@@H+](C)CCN2CCOC(C)(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000434708578 980349299 /nfs/dbraw/zinc/34/92/99/980349299.db2.gz SHIPXXKGWIXKAI-UHFFFAOYSA-N 1 1 423.557 3.688 20 30 HHEDMO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1COc2ccccc2O1 ZINC000434833412 980430938 /nfs/dbraw/zinc/43/09/38/980430938.db2.gz KSHMGYJYFCVDEF-OAQYLSRUSA-N 1 1 417.513 3.911 20 30 HHEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2ccncc2)n1 ZINC000434837309 980433648 /nfs/dbraw/zinc/43/36/48/980433648.db2.gz SOGGDFVZMXTYHB-NRFANRHFSA-N 1 1 415.497 3.967 20 30 HHEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccco1 ZINC000435156865 980685745 /nfs/dbraw/zinc/68/57/45/980685745.db2.gz ZTASIAIYNUMYKA-MRXNPFEDSA-N 1 1 415.437 3.531 20 30 HHEDMO CCN(CC)C(=O)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000435415610 980850286 /nfs/dbraw/zinc/85/02/86/980850286.db2.gz CHOOHOWJOPKXCQ-FQEVSTJZSA-N 1 1 412.578 3.519 20 30 HHEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@H](C)C1 ZINC000435544979 980932810 /nfs/dbraw/zinc/93/28/10/980932810.db2.gz HKADUTLPYKIKTL-XLIONFOSSA-N 1 1 402.539 3.604 20 30 HHEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000435625718 980966088 /nfs/dbraw/zinc/96/60/88/980966088.db2.gz IYFLLWOHGVUOTM-UHFFFAOYSA-N 1 1 400.526 3.938 20 30 HHEDMO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000448199536 981611762 /nfs/dbraw/zinc/61/17/62/981611762.db2.gz VPVLMFLOALHUPI-WIYYLYMNSA-N 1 1 405.498 3.819 20 30 HHEDMO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000448199531 981611834 /nfs/dbraw/zinc/61/18/34/981611834.db2.gz VPVLMFLOALHUPI-NQIIRXRSSA-N 1 1 405.498 3.819 20 30 HHEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000448321815 981698738 /nfs/dbraw/zinc/69/87/38/981698738.db2.gz OLKQRIBRTIQNEX-NRFANRHFSA-N 1 1 420.513 3.526 20 30 HHEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460207104 981981959 /nfs/dbraw/zinc/98/19/59/981981959.db2.gz ZUUJWGREGLWVAO-UHFFFAOYSA-N 1 1 401.518 3.753 20 30 HHEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460272614 982048576 /nfs/dbraw/zinc/04/85/76/982048576.db2.gz ZQGMDVCAZHCCSY-MOPGFXCFSA-N 1 1 400.530 3.936 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(OC(F)F)c1 ZINC000437422201 982062504 /nfs/dbraw/zinc/06/25/04/982062504.db2.gz ZMDRGINEIPABOJ-QGZVFWFLSA-N 1 1 401.461 3.857 20 30 HHEDMO CCC(CC)[C@@H](CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC000437629934 982250981 /nfs/dbraw/zinc/25/09/81/982250981.db2.gz ZSQUWCZBAJADOY-JOCHJYFZSA-N 1 1 400.567 3.617 20 30 HHEDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000437717147 982315590 /nfs/dbraw/zinc/31/55/90/982315590.db2.gz AKHAOJGYRVOZHN-YDIMBITNSA-N 1 1 418.541 3.729 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000460543142 982330049 /nfs/dbraw/zinc/33/00/49/982330049.db2.gz LWEOEZIKXJGULD-SFHVURJKSA-N 1 1 413.541 3.658 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460546672 982333113 /nfs/dbraw/zinc/33/31/13/982333113.db2.gz VPGDXESNFAMWRP-LJQANCHMSA-N 1 1 411.550 3.601 20 30 HHEDMO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[N@H+](CC)CC1 ZINC000460547186 982333590 /nfs/dbraw/zinc/33/35/90/982333590.db2.gz WZDIURZZIUBQJZ-UHFFFAOYSA-N 1 1 401.580 3.687 20 30 HHEDMO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460562388 982347900 /nfs/dbraw/zinc/34/79/00/982347900.db2.gz SFQMVROMPKNKKN-FPOVZHCZSA-N 1 1 411.594 3.957 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000437786673 982355643 /nfs/dbraw/zinc/35/56/43/982355643.db2.gz OGJWMXWRPAXPCQ-SEVLPDGMSA-N 1 1 407.505 3.769 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000437786673 982355646 /nfs/dbraw/zinc/35/56/46/982355646.db2.gz OGJWMXWRPAXPCQ-SEVLPDGMSA-N 1 1 407.505 3.769 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000437903618 982451863 /nfs/dbraw/zinc/45/18/63/982451863.db2.gz LIOKUGUQYGKBON-HXUWFJFHSA-N 1 1 406.530 3.877 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000437909659 982457042 /nfs/dbraw/zinc/45/70/42/982457042.db2.gz MWUBEDPHUFUNMO-RPWUZVMVSA-N 1 1 418.541 3.865 20 30 HHEDMO 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987632240 /nfs/dbraw/zinc/63/22/40/987632240.db2.gz FYTCITYKHHTOCE-UHFFFAOYSA-N 1 1 401.532 3.877 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)cc1OCC ZINC000470150515 988059694 /nfs/dbraw/zinc/05/96/94/988059694.db2.gz WWUHHXXDFDIQOX-UKRRQHHQSA-N 1 1 412.324 3.796 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(=O)OC)[C@H]2C)cc1OCC ZINC000470150515 988059706 /nfs/dbraw/zinc/05/97/06/988059706.db2.gz WWUHHXXDFDIQOX-UKRRQHHQSA-N 1 1 412.324 3.796 20 30 HHEDMO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nc2sc(C)c(C)c2c1=O ZINC000470456783 988439881 /nfs/dbraw/zinc/43/98/81/988439881.db2.gz ZGPCZPIFGXKNED-UHFFFAOYSA-N 1 1 420.648 3.769 20 30 HHEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000470734907 988768651 /nfs/dbraw/zinc/76/86/51/988768651.db2.gz WDQLDUHSAVKNMY-XMMPIXPASA-N 1 1 408.505 3.738 20 30 HHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000470892404 988965085 /nfs/dbraw/zinc/96/50/85/988965085.db2.gz RSEQGLMBYOBHIW-KPQWGBOZSA-N 1 1 410.562 3.622 20 30 HHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000464773010 988997957 /nfs/dbraw/zinc/99/79/57/988997957.db2.gz KHVACMLIRCQUQD-ROUUACIJSA-N 1 1 406.596 3.558 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000470962179 989025801 /nfs/dbraw/zinc/02/58/01/989025801.db2.gz VLUHIQLEQLSPFI-WAOWUJCRSA-N 1 1 421.459 3.982 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](C[N@@H+](C)CC4CC4)C3)sc2C1 ZINC000470983490 989048541 /nfs/dbraw/zinc/04/85/41/989048541.db2.gz OBFFNNQPAMUGLZ-AEFFLSMTSA-N 1 1 414.619 3.737 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000464821306 989057868 /nfs/dbraw/zinc/05/78/68/989057868.db2.gz GWZAJNIQQSSEDA-AZUAARDMSA-N 1 1 410.905 3.539 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000464821306 989057873 /nfs/dbraw/zinc/05/78/73/989057873.db2.gz GWZAJNIQQSSEDA-AZUAARDMSA-N 1 1 410.905 3.539 20 30 HHEDMO N#CCCn1cc(C(=O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccc21 ZINC000470998790 989064686 /nfs/dbraw/zinc/06/46/86/989064686.db2.gz QQTQHYWMCWCAPM-SZPZYZBQSA-N 1 1 412.537 3.801 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464834719 989077111 /nfs/dbraw/zinc/07/71/11/989077111.db2.gz SYKNHULZOPXERQ-MJGOQNOKSA-N 1 1 410.949 3.993 20 30 HHEDMO C[C@H]1CCN(CC(=O)Nc2ccccc2SCC#N)CC[N@H+]1Cc1ccccc1 ZINC000464842547 989089674 /nfs/dbraw/zinc/08/96/74/989089674.db2.gz IUMLNZCUXLUOSW-IBGZPJMESA-N 1 1 408.571 3.837 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000464853190 989106496 /nfs/dbraw/zinc/10/64/96/989106496.db2.gz FIVPQQUTUJAPQX-MRXNPFEDSA-N 1 1 419.451 3.737 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]3COCC[C@H]32)c1C#N ZINC000464858503 989113029 /nfs/dbraw/zinc/11/30/29/989113029.db2.gz WXUJETLJPNNOQU-LAUBAEHRSA-N 1 1 410.493 3.544 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000464864953 989121744 /nfs/dbraw/zinc/12/17/44/989121744.db2.gz USIYECNGTZHLHW-SFHVURJKSA-N 1 1 417.488 3.777 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000464864953 989121750 /nfs/dbraw/zinc/12/17/50/989121750.db2.gz USIYECNGTZHLHW-SFHVURJKSA-N 1 1 417.488 3.777 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1C ZINC000465188781 989524941 /nfs/dbraw/zinc/52/49/41/989524941.db2.gz BMLHKIJJPXSZLA-FQEVSTJZSA-N 1 1 407.562 3.788 20 30 HHEDMO N#Cc1ccccc1CSCCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471526592 989726644 /nfs/dbraw/zinc/72/66/44/989726644.db2.gz FXLYNXQYIHLFTI-FQEVSTJZSA-N 1 1 408.571 3.613 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471747768 989942368 /nfs/dbraw/zinc/94/23/68/989942368.db2.gz NBDXEZZFRYNYKV-DVECYGJZSA-N 1 1 400.526 3.789 20 30 HHEDMO COc1cc(-c2ccccc2)ccc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471812901 989994848 /nfs/dbraw/zinc/99/48/48/989994848.db2.gz TZSAOAPURBEPSF-UHFFFAOYSA-N 1 1 401.514 3.598 20 30 HHEDMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)CC2)[nH+]1 ZINC000465974310 991127268 /nfs/dbraw/zinc/12/72/68/991127268.db2.gz AKANNCYKDMUKHV-FGZHOGPDSA-N 1 1 403.530 3.840 20 30 HHEDMO Cc1ccccc1O[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466179631 991372570 /nfs/dbraw/zinc/37/25/70/991372570.db2.gz UWNAKDHYTKCBFW-HXUWFJFHSA-N 1 1 406.530 3.552 20 30 HHEDMO C[C@H]1C[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466520968 991813447 /nfs/dbraw/zinc/81/34/47/991813447.db2.gz VJWRETUTPCBJQP-UGKGYDQZSA-N 1 1 418.541 3.774 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466531315 991830418 /nfs/dbraw/zinc/83/04/18/991830418.db2.gz TVINHQIFKSZBEZ-GHTZIAJQSA-N 1 1 408.502 3.955 20 30 HHEDMO C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466620218 991935947 /nfs/dbraw/zinc/93/59/47/991935947.db2.gz SYXZBIIBTRKYPW-QUCCMNQESA-N 1 1 407.518 3.796 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000466621668 991937929 /nfs/dbraw/zinc/93/79/29/991937929.db2.gz SUACFQYTYINCOA-MOPGFXCFSA-N 1 1 407.518 3.891 20 30 HHEDMO N#Cc1cccc(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000466806293 992115279 /nfs/dbraw/zinc/11/52/79/992115279.db2.gz LGWRCBBYGIUHLX-BJKOFHAPSA-N 1 1 402.542 3.797 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466932808 992244441 /nfs/dbraw/zinc/24/44/41/992244441.db2.gz CXORULRFKSOXKC-SCLBCKFNSA-N 1 1 410.331 3.769 20 30 HHEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000466939508 992250027 /nfs/dbraw/zinc/25/00/27/992250027.db2.gz RVQHYYJPJPTAAJ-UZUQRXQVSA-N 1 1 406.505 3.892 20 30 HHEDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000467296103 992622149 /nfs/dbraw/zinc/62/21/49/992622149.db2.gz YQJXSKMFCGKSMH-HFMPRLQTSA-N 1 1 420.509 3.919 20 30 HHEDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000467296103 992622153 /nfs/dbraw/zinc/62/21/53/992622153.db2.gz YQJXSKMFCGKSMH-HFMPRLQTSA-N 1 1 420.509 3.919 20 30 HHEDMO COC[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000467299033 992625146 /nfs/dbraw/zinc/62/51/46/992625146.db2.gz RAZYZVARHJRMDA-SFHVURJKSA-N 1 1 412.509 3.792 20 30 HHEDMO C[C@@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC000467486173 992774602 /nfs/dbraw/zinc/77/46/02/992774602.db2.gz NMQDUGYIGNFULR-RHSMWYFYSA-N 1 1 400.429 3.944 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000467756106 993000974 /nfs/dbraw/zinc/00/09/74/993000974.db2.gz CSACTPMSNBANPB-CRAIPNDOSA-N 1 1 406.555 3.945 20 30 HHEDMO Cc1nn(C)c(N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1C#N ZINC000472156667 993208268 /nfs/dbraw/zinc/20/82/68/993208268.db2.gz NIRSAHJGLXFZDN-UHFFFAOYSA-N 1 1 415.541 3.528 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOC[C@H]2CC(C)C)c1C#N ZINC000472235777 993264099 /nfs/dbraw/zinc/26/40/99/993264099.db2.gz CCPXAPNTZCAWAP-LJQANCHMSA-N 1 1 412.534 3.693 20 30 HHEDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](CC)CN1C(C)=O ZINC000472322940 993333522 /nfs/dbraw/zinc/33/35/22/993333522.db2.gz GWTSQGPLWTXSLW-IAGOWNOFSA-N 1 1 416.591 3.548 20 30 HHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000472727947 993656893 /nfs/dbraw/zinc/65/68/93/993656893.db2.gz GYHMEVKIBMJALY-IAGOWNOFSA-N 1 1 406.324 3.887 20 30 HHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000472727947 993656897 /nfs/dbraw/zinc/65/68/97/993656897.db2.gz GYHMEVKIBMJALY-IAGOWNOFSA-N 1 1 406.324 3.887 20 30 HHEDMO N#Cc1cccnc1N1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000472769641 993710237 /nfs/dbraw/zinc/71/02/37/993710237.db2.gz JLOYEOIFJJTHRI-UHFFFAOYSA-N 1 1 407.521 3.975 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(Br)c1 ZINC000481117780 993953037 /nfs/dbraw/zinc/95/30/37/993953037.db2.gz OGYIPOQLFUOKQT-UHFFFAOYSA-N 1 1 404.352 3.982 20 30 HHEDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC#Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000481179403 994009575 /nfs/dbraw/zinc/00/95/75/994009575.db2.gz INQMKZKVWCYQNT-UHFFFAOYSA-N 1 1 409.877 3.688 20 30 HHEDMO C=CCN(CC1CCCCC1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000481200137 994033606 /nfs/dbraw/zinc/03/36/06/994033606.db2.gz OXFNPEVMUUGBGW-UHFFFAOYSA-N 1 1 412.509 3.531 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C#N ZINC000473563212 994429374 /nfs/dbraw/zinc/42/93/74/994429374.db2.gz UPFLTAHVUQAZII-KDURUIRLSA-N 1 1 418.566 3.757 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000481588073 994432822 /nfs/dbraw/zinc/43/28/22/994432822.db2.gz SBBLDZQTPWJRSR-IVZQSRNASA-N 1 1 416.468 3.690 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000481633863 994500328 /nfs/dbraw/zinc/50/03/28/994500328.db2.gz 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HHEDMO COc1cccc([C@H]2[C@H](NC(=O)CSCc3ccc(C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000482018006 994927545 /nfs/dbraw/zinc/92/75/45/994927545.db2.gz KMCWLENFZYSKCF-VWNXMTODSA-N 1 1 421.566 3.894 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000473988205 994975809 /nfs/dbraw/zinc/97/58/09/994975809.db2.gz SFQNLMNGZDKXOF-NZQKXSOJSA-N 1 1 409.530 3.646 20 30 HHEDMO COc1cccc([C@@H]2[C@@H](NC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@H+]2C2CC2)c1 ZINC000482097092 995040271 /nfs/dbraw/zinc/04/02/71/995040271.db2.gz BUSRCUWFXDGDQF-XZOQPEGZSA-N 1 1 401.510 3.693 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474215771 995210033 /nfs/dbraw/zinc/21/00/33/995210033.db2.gz MUUJONOSNKYENQ-SFHVURJKSA-N 1 1 408.571 3.643 20 30 HHEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474215771 995210041 /nfs/dbraw/zinc/21/00/41/995210041.db2.gz MUUJONOSNKYENQ-SFHVURJKSA-N 1 1 408.571 3.643 20 30 HHEDMO 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998274641 /nfs/dbraw/zinc/27/46/41/998274641.db2.gz XDCVSIVVXFOWCN-IAQYHMDHSA-N 1 1 408.449 3.761 20 30 HHEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000485833886 998299895 /nfs/dbraw/zinc/29/98/95/998299895.db2.gz NRDYVRRSFNNPPH-SFHVURJKSA-N 1 1 413.543 3.560 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000485909980 998361430 /nfs/dbraw/zinc/36/14/30/998361430.db2.gz XJLAGDOLKYNLID-UHFFFAOYSA-N 1 1 414.575 3.893 20 30 HHEDMO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000485967129 998408444 /nfs/dbraw/zinc/40/84/44/998408444.db2.gz OBOCVUSDMYLDBH-SFHVURJKSA-N 1 1 412.559 3.849 20 30 HHEDMO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000485967127 998408694 /nfs/dbraw/zinc/40/86/94/998408694.db2.gz OBOCVUSDMYLDBH-GOSISDBHSA-N 1 1 412.559 3.849 20 30 HHEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000477862322 998613134 /nfs/dbraw/zinc/61/31/34/998613134.db2.gz YLMZOMKRMLVLSY-UHFFFAOYSA-N 1 1 407.436 3.813 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000478273032 998857034 /nfs/dbraw/zinc/85/70/34/998857034.db2.gz MIVONEUSJVEYII-ZWKOTPCHSA-N 1 1 424.570 3.656 20 30 HHEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c(Cl)c1 ZINC000486826347 998958215 /nfs/dbraw/zinc/95/82/15/998958215.db2.gz PBEVUOCVAQOIPF-IIBYNOLFSA-N 1 1 406.877 3.605 20 30 HHEDMO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1C(C)(C)C#N ZINC000487374510 999151560 /nfs/dbraw/zinc/15/15/60/999151560.db2.gz XWNUGXNZKVTFJF-UHFFFAOYSA-N 1 1 400.544 3.792 20 30 HHEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000487482512 999194103 /nfs/dbraw/zinc/19/41/03/999194103.db2.gz YYOATTGOUJMZDI-GOSISDBHSA-N 1 1 424.520 3.685 20 30 HHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000487482512 999194106 /nfs/dbraw/zinc/19/41/06/999194106.db2.gz YYOATTGOUJMZDI-GOSISDBHSA-N 1 1 424.520 3.685 20 30 HHEDMO CCOc1cc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)nc2nc(C(F)(F)F)nn21 ZINC000478950742 999218509 /nfs/dbraw/zinc/21/85/09/999218509.db2.gz CMAUTGVOXKQVIA-CYBMUJFWSA-N 1 1 418.423 3.997 20 30 HHEDMO Cn1c(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2ccccc21 ZINC000479103725 999295166 /nfs/dbraw/zinc/29/51/66/999295166.db2.gz KTOIRKRMYZFXSO-UHFFFAOYSA-N 1 1 407.543 3.846 20 30 HHEDMO Cn1c(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2ccccc21 ZINC000479103725 999295172 /nfs/dbraw/zinc/29/51/72/999295172.db2.gz KTOIRKRMYZFXSO-UHFFFAOYSA-N 1 1 407.543 3.846 20 30 HHEDMO N#CC1(NC(=O)c2sccc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000479216964 999330070 /nfs/dbraw/zinc/33/00/70/999330070.db2.gz NTQPWEUFNYWKOU-UHFFFAOYSA-N 1 1 404.333 3.799 20 30 HHEDMO Cc1ccc(-c2nc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cs2)o1 ZINC000479248894 999346018 /nfs/dbraw/zinc/34/60/18/999346018.db2.gz RGZFJKQUSRDAMN-UHFFFAOYSA-N 1 1 406.511 4.000 20 30 HHEDMO Cc1ccc(-c2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)on2)cc1 ZINC000479254892 999349365 /nfs/dbraw/zinc/34/93/65/999349365.db2.gz WYNJVMBEIWGYGD-UHFFFAOYSA-N 1 1 400.482 3.938 20 30 HHEDMO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)ccc1C#N ZINC000488197748 999411511 /nfs/dbraw/zinc/41/15/11/999411511.db2.gz UABMCWIZTVTYPU-QGZVFWFLSA-N 1 1 413.319 3.875 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000488255778 999412049 /nfs/dbraw/zinc/41/20/49/999412049.db2.gz UCAXEOKPKAAXRY-HNNXBMFYSA-N 1 1 400.548 3.631 20 30 HHEDMO C=CCC[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000488364115 999458242 /nfs/dbraw/zinc/45/82/42/999458242.db2.gz GXODVOGKIHSCMD-DNQXCXABSA-N 1 1 419.569 3.750 20 30 HHEDMO CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000488389541 999471082 /nfs/dbraw/zinc/47/10/82/999471082.db2.gz ZLDMDZNZHGMLEG-GOTSBHOMSA-N 1 1 412.578 3.759 20 30 HHEDMO COc1cccc([C@H]2[C@@H](NC(=O)N(C)Cc3ccc(C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000488400996 999475554 /nfs/dbraw/zinc/47/55/54/999475554.db2.gz FQWPQDJIYUQYLS-GOTSBHOMSA-N 1 1 404.514 3.686 20 30 HHEDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1F ZINC000488468390 999496642 /nfs/dbraw/zinc/49/66/42/999496642.db2.gz YAURJCCTGSARBQ-BFUOFWGJSA-N 1 1 416.294 3.912 20 30 HHEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1Br ZINC000488470295 999497351 /nfs/dbraw/zinc/49/73/51/999497351.db2.gz VHJNJKDYFCQTGK-ORAYPTAESA-N 1 1 416.294 3.912 20 30 HHEDMO CCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000479684521 999535916 /nfs/dbraw/zinc/53/59/16/999535916.db2.gz AWDUXZZBNBGYPU-DNQXCXABSA-N 1 1 407.558 3.675 20 30 HHEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H](C)C1 ZINC000488915769 999646168 /nfs/dbraw/zinc/64/61/68/999646168.db2.gz KLAWMWFLXUZZTK-ANXNHCNISA-N 1 1 410.562 3.620 20 30 HHEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000488922248 999648089 /nfs/dbraw/zinc/64/80/89/999648089.db2.gz VOSIXBTVEOKQJM-FQEVSTJZSA-N 1 1 403.526 3.803 20 30 HHEDMO C=CCCCS(=O)(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000490057783 999886655 /nfs/dbraw/zinc/88/66/55/999886655.db2.gz TXPXSZDIOMLVPY-QHCPKHFHSA-N 1 1 413.587 3.844 20 30 HHEDMO Cc1cc(N2CCC(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000490508081 999969112 /nfs/dbraw/zinc/96/91/12/999969112.db2.gz QTWILBVQSOXADR-FGZHOGPDSA-N 1 1 418.545 3.544 20 30 HHEDMO CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000490744413 999999583 /nfs/dbraw/zinc/99/95/83/999999583.db2.gz HWBTWIPRDZYJDA-IAGOWNOFSA-N 1 1 417.513 3.789 20 30 HHEDMO CCC1(CO)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000491131750 1000048500 /nfs/dbraw/zinc/04/85/00/1000048500.db2.gz NDTNTLFZHUOWMG-UHFFFAOYSA-N 1 1 412.509 3.528 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000491571083 1000084376 /nfs/dbraw/zinc/08/43/76/1000084376.db2.gz ZUUYWXAMFNBVSJ-TZIWHRDSSA-N 1 1 419.550 3.694 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000491583676 1000085918 /nfs/dbraw/zinc/08/59/18/1000085918.db2.gz LYQCFTGTQMPGGQ-MRXNPFEDSA-N 1 1 416.953 3.653 20 30 HHEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[C@H]2C1 ZINC000492183098 1000114347 /nfs/dbraw/zinc/11/43/47/1000114347.db2.gz XZQWOULPRJSGHW-NQIIRXRSSA-N 1 1 408.477 3.834 20 30 HHEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000492465953 1000128384 /nfs/dbraw/zinc/12/83/84/1000128384.db2.gz XLQDPRUADAFNFA-UHFFFAOYSA-N 1 1 404.352 3.982 20 30 HHEDMO COc1ccc(-c2noc([C@H](C)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000493890080 1000202685 /nfs/dbraw/zinc/20/26/85/1000202685.db2.gz ALARMXOHYNZXIT-SFHVURJKSA-N 1 1 417.513 3.886 20 30 HHEDMO C[C@H]1[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000494019531 1000271290 /nfs/dbraw/zinc/27/12/90/1000271290.db2.gz USNXDYYTSRKLLY-CVDCTZTESA-N 1 1 413.525 3.857 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCS[C@@H](C)CC2)c1C#N ZINC000494045508 1000281310 /nfs/dbraw/zinc/28/13/10/1000281310.db2.gz ARPSOBSDPZUHBS-AWEZNQCLSA-N 1 1 400.523 3.871 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCS[C@@H](C)CC2)c1C#N ZINC000494045508 1000281316 /nfs/dbraw/zinc/28/13/16/1000281316.db2.gz ARPSOBSDPZUHBS-AWEZNQCLSA-N 1 1 400.523 3.871 20 30 HHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000504591025 1000283924 /nfs/dbraw/zinc/28/39/24/1000283924.db2.gz SUMIREDQJBHVQV-LJQANCHMSA-N 1 1 416.529 3.510 20 30 HHEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000504591025 1000283936 /nfs/dbraw/zinc/28/39/36/1000283936.db2.gz SUMIREDQJBHVQV-LJQANCHMSA-N 1 1 416.529 3.510 20 30 HHEDMO COc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c(OC)c1 ZINC000504993907 1000493878 /nfs/dbraw/zinc/49/38/78/1000493878.db2.gz IPXKMPCDCZDVOX-UHFFFAOYSA-N 1 1 408.502 3.624 20 30 HHEDMO Cc1ccccc1C[NH+]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000505154613 1000582570 /nfs/dbraw/zinc/58/25/70/1000582570.db2.gz JXKPWZZSGAKVTO-UHFFFAOYSA-N 1 1 420.532 3.567 20 30 HHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494753312 1000635554 /nfs/dbraw/zinc/63/55/54/1000635554.db2.gz XVOZLSQVBPLUDL-DBXWQHBBSA-N 1 1 412.578 3.867 20 30 HHEDMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000494787053 1000655955 /nfs/dbraw/zinc/65/59/55/1000655955.db2.gz YFUODYLKURIGME-QFBILLFUSA-N 1 1 410.562 3.619 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@@H](C)C(C)C ZINC000495006381 1000775094 /nfs/dbraw/zinc/77/50/94/1000775094.db2.gz REYZYRUFXARHMU-ROUUACIJSA-N 1 1 400.567 3.722 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1C#N ZINC000495022759 1000784496 /nfs/dbraw/zinc/78/44/96/1000784496.db2.gz YIDIWMVWQOSVNG-GOSISDBHSA-N 1 1 420.517 3.549 20 30 HHEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)C2)C1 ZINC000505523287 1000867329 /nfs/dbraw/zinc/86/73/29/1000867329.db2.gz ZSIRKTXESLOSRV-QHCPKHFHSA-N 1 1 414.981 3.762 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000505538947 1000887449 /nfs/dbraw/zinc/88/74/49/1000887449.db2.gz RLXJNDKTKMSMRP-XMMPIXPASA-N 1 1 405.546 3.639 20 30 HHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1)C(C)C ZINC000505658011 1000959552 /nfs/dbraw/zinc/95/95/52/1000959552.db2.gz OHDYDCVDYKOPIQ-HSZRJFAPSA-N 1 1 418.541 3.714 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2)C1 ZINC000505789201 1001024574 /nfs/dbraw/zinc/02/45/74/1001024574.db2.gz ZZLYZGCADWECMH-UUOWRZLLSA-N 1 1 413.562 3.796 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H](c4ccnn4C)C3)sc2C1 ZINC000505848812 1001059293 /nfs/dbraw/zinc/05/92/93/1001059293.db2.gz ZTYFLCASZGDHHS-JKSUJKDBSA-N 1 1 411.575 3.686 20 30 HHEDMO COc1ccccc1CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000496125445 1001128351 /nfs/dbraw/zinc/12/83/51/1001128351.db2.gz BNFYLHKBMWTEIU-UHFFFAOYSA-N 1 1 405.542 3.870 20 30 HHEDMO COc1ccccc1CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000496125445 1001128354 /nfs/dbraw/zinc/12/83/54/1001128354.db2.gz BNFYLHKBMWTEIU-UHFFFAOYSA-N 1 1 405.542 3.870 20 30 HHEDMO COc1cc(CN(C)C(=O)C[NH+]2CCC(C)(C#N)CC2)ccc1OCc1ccccc1 ZINC000506037709 1001181306 /nfs/dbraw/zinc/18/13/06/1001181306.db2.gz VIGBZZLCHCBRPC-UHFFFAOYSA-N 1 1 421.541 3.858 20 30 HHEDMO C=CCc1cc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc(OC)c1O ZINC000506187614 1001267757 /nfs/dbraw/zinc/26/77/57/1001267757.db2.gz HOBFCGBMFNLNDP-UHFFFAOYSA-N 1 1 418.335 3.609 20 30 HHEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(OC(F)F)c1 ZINC000506294537 1001335340 /nfs/dbraw/zinc/33/53/40/1001335340.db2.gz JSSFRKUQUXMRAW-UHFFFAOYSA-N 1 1 401.457 3.876 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@H](C)O1 ZINC000506371699 1001383920 /nfs/dbraw/zinc/38/39/20/1001383920.db2.gz VSEKTIJMFHBASC-HDICACEKSA-N 1 1 421.516 3.655 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@H](C)O1 ZINC000506371699 1001383924 /nfs/dbraw/zinc/38/39/24/1001383924.db2.gz VSEKTIJMFHBASC-HDICACEKSA-N 1 1 421.516 3.655 20 30 HHEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1OCCCC#N ZINC000506498402 1001440698 /nfs/dbraw/zinc/44/06/98/1001440698.db2.gz DDBWPNPGTYJISH-UHFFFAOYSA-N 1 1 413.562 3.992 20 30 HHEDMO COc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1OCCCC#N ZINC000506498402 1001440700 /nfs/dbraw/zinc/44/07/00/1001440700.db2.gz DDBWPNPGTYJISH-UHFFFAOYSA-N 1 1 413.562 3.992 20 30 HHEDMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000506661436 1001486552 /nfs/dbraw/zinc/48/65/52/1001486552.db2.gz NZNIPOFJPXAHKB-UHFFFAOYSA-N 1 1 420.948 3.791 20 30 HHEDMO N#CCCCOc1cccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1 ZINC000506671345 1001489089 /nfs/dbraw/zinc/48/90/89/1001489089.db2.gz XXGYQCRBVYEMNY-XMMPIXPASA-N 1 1 403.526 3.918 20 30 HHEDMO N#CCCCOc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1 ZINC000506671345 1001489092 /nfs/dbraw/zinc/48/90/92/1001489092.db2.gz XXGYQCRBVYEMNY-XMMPIXPASA-N 1 1 403.526 3.918 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000497750892 1001503826 /nfs/dbraw/zinc/50/38/26/1001503826.db2.gz RHRWDBJOUBHAOT-ROUUACIJSA-N 1 1 418.969 3.603 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000497750892 1001503833 /nfs/dbraw/zinc/50/38/33/1001503833.db2.gz RHRWDBJOUBHAOT-ROUUACIJSA-N 1 1 418.969 3.603 20 30 HHEDMO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(CN3CCOCC3)CC2)c1 ZINC000506907202 1001589168 /nfs/dbraw/zinc/58/91/68/1001589168.db2.gz FTCCXZBNOSFZAV-UHFFFAOYSA-N 1 1 405.542 3.681 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000498271550 1001746687 /nfs/dbraw/zinc/74/66/87/1001746687.db2.gz IEFRFLYKHKEXFF-PKTZIBPZSA-N 1 1 411.546 3.699 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000498271550 1001746691 /nfs/dbraw/zinc/74/66/91/1001746691.db2.gz IEFRFLYKHKEXFF-PKTZIBPZSA-N 1 1 411.546 3.699 20 30 HHEDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)nn1-c1cccc(C#N)c1 ZINC000507083466 1001797121 /nfs/dbraw/zinc/79/71/21/1001797121.db2.gz HOLCASNBBLLIBY-IFMALSPDSA-N 1 1 419.916 3.881 20 30 HHEDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)nn1-c1cccc(C#N)c1 ZINC000507083466 1001797135 /nfs/dbraw/zinc/79/71/35/1001797135.db2.gz HOLCASNBBLLIBY-IFMALSPDSA-N 1 1 419.916 3.881 20 30 HHEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498377828 1001808821 /nfs/dbraw/zinc/80/88/21/1001808821.db2.gz ODDIYQWTJWIHTM-VQIMIIECSA-N 1 1 402.420 3.785 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000507241101 1001926725 /nfs/dbraw/zinc/92/67/25/1001926725.db2.gz XATMSMDPPJMWFO-WOJBJXKFSA-N 1 1 413.562 3.693 20 30 HHEDMO CCCC[N@@H+](C)CC1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000498521804 1001943691 /nfs/dbraw/zinc/94/36/91/1001943691.db2.gz AVPLGUCTDFUJNF-UHFFFAOYSA-N 1 1 402.608 3.941 20 30 HHEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000507278147 1001962289 /nfs/dbraw/zinc/96/22/89/1001962289.db2.gz JOAZLSOJKVSIBZ-YOEHRIQHSA-N 1 1 423.460 3.691 20 30 HHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000507278147 1001962295 /nfs/dbraw/zinc/96/22/95/1001962295.db2.gz JOAZLSOJKVSIBZ-YOEHRIQHSA-N 1 1 423.460 3.691 20 30 HHEDMO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc2ccc(Cl)cc2n1C ZINC000507446023 1002075369 /nfs/dbraw/zinc/07/53/69/1002075369.db2.gz CXAXSIJQODJAGP-KUHUBIRLSA-N 1 1 407.905 3.945 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000507451815 1002078909 /nfs/dbraw/zinc/07/89/09/1002078909.db2.gz RNGSNTTVHRCCAZ-HDICACEKSA-N 1 1 414.569 3.786 20 30 HHEDMO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507826143 1002369879 /nfs/dbraw/zinc/36/98/79/1002369879.db2.gz VIVWZODSLRKSHW-UHFFFAOYSA-N 1 1 403.935 3.775 20 30 HHEDMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507835147 1002377490 /nfs/dbraw/zinc/37/74/90/1002377490.db2.gz XYYLZYNMEKGLRG-GXSYWRQXSA-N 1 1 407.558 3.875 20 30 HHEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507929979 1002464145 /nfs/dbraw/zinc/46/41/45/1002464145.db2.gz KDVNKXLFNLDFKL-NRFANRHFSA-N 1 1 424.511 3.656 20 30 HHEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1OCCCC#N ZINC000507987378 1002516468 /nfs/dbraw/zinc/51/64/68/1002516468.db2.gz YAJIPOKQLYGGNH-HXUWFJFHSA-N 1 1 422.529 3.932 20 30 HHEDMO N#Cc1cc(F)cc(C2(c3nc(-c4ccc(C[NH+]5CCOCC5)cc4)no3)CC2)c1 ZINC000508023897 1002546493 /nfs/dbraw/zinc/54/64/93/1002546493.db2.gz CQYXRBQGSIFPFA-UHFFFAOYSA-N 1 1 404.445 3.659 20 30 HHEDMO CCCN(CC)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 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/nfs/dbraw/zinc/76/76/28/1010767628.db2.gz OPXVDDZVUNCWEL-BJKOFHAPSA-N 1 1 416.569 3.587 20 30 HHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000545398606 1010772582 /nfs/dbraw/zinc/77/25/82/1010772582.db2.gz UWPCVUHZCIMUKT-QRWLVFNGSA-N 1 1 422.367 3.735 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H](C)C1 ZINC000522365479 1010960311 /nfs/dbraw/zinc/96/03/11/1010960311.db2.gz XQZKUTXCMDRAMW-PGRDOPGGSA-N 1 1 422.529 3.612 20 30 HHEDMO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000522482601 1011039341 /nfs/dbraw/zinc/03/93/41/1011039341.db2.gz WVWZYVCFHBGLLH-HXUWFJFHSA-N 1 1 405.454 3.890 20 30 HHEDMO COc1ccccc1[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[NH+](C)C ZINC000522598506 1011101835 /nfs/dbraw/zinc/10/18/35/1011101835.db2.gz HGTFECMNIVTWGN-NRFANRHFSA-N 1 1 419.481 3.772 20 30 HHEDMO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000540806169 1011468018 /nfs/dbraw/zinc/46/80/18/1011468018.db2.gz MELPRMCQIRWFLO-XZOQPEGZSA-N 1 1 408.590 3.651 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000540826582 1011490155 /nfs/dbraw/zinc/49/01/55/1011490155.db2.gz MEITYSZPODDNPB-QFIPXVFZSA-N 1 1 424.520 3.934 20 30 HHEDMO CC[C@@H](C)n1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000536306530 1011499294 /nfs/dbraw/zinc/49/92/94/1011499294.db2.gz YPLVWKFIGQBOCK-GOSISDBHSA-N 1 1 405.546 3.951 20 30 HHEDMO CC[C@@H](C)n1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000536306530 1011499301 /nfs/dbraw/zinc/49/93/01/1011499301.db2.gz YPLVWKFIGQBOCK-GOSISDBHSA-N 1 1 405.546 3.951 20 30 HHEDMO Cc1nnc([C@@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)[nH]1 ZINC000540866087 1011543361 /nfs/dbraw/zinc/54/33/61/1011543361.db2.gz WWEJOHPACYTPNS-OAHLLOKOSA-N 1 1 412.563 3.523 20 30 HHEDMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000540866087 1011543375 /nfs/dbraw/zinc/54/33/75/1011543375.db2.gz WWEJOHPACYTPNS-OAHLLOKOSA-N 1 1 412.563 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C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540981212 1011616519 /nfs/dbraw/zinc/61/65/19/1011616519.db2.gz LUCBEVAJIZSDDQ-SJLPKXTDSA-N 1 1 418.476 3.840 20 30 HHEDMO N#CCC1CC[NH+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000541021907 1011655411 /nfs/dbraw/zinc/65/54/11/1011655411.db2.gz RDDSKPKDNLNFHY-UHFFFAOYSA-N 1 1 401.514 3.792 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536487109 1011699330 /nfs/dbraw/zinc/69/93/30/1011699330.db2.gz ZULKAAVLGOGYHU-OAQYLSRUSA-N 1 1 408.590 3.706 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536487109 1011699341 /nfs/dbraw/zinc/69/93/41/1011699341.db2.gz ZULKAAVLGOGYHU-OAQYLSRUSA-N 1 1 408.590 3.706 20 30 HHEDMO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)c(Cl)c1 ZINC000541101354 1011748063 /nfs/dbraw/zinc/74/80/63/1011748063.db2.gz OENQVQRHDKVUDT-LPHOPBHVSA-N 1 1 424.936 3.878 20 30 HHEDMO 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DRDWOCGOJVEFQI-FQEVSTJZSA-N 1 1 417.513 3.516 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1C#N ZINC000612432103 1072496041 /nfs/dbraw/zinc/49/60/41/1072496041.db2.gz DRDWOCGOJVEFQI-FQEVSTJZSA-N 1 1 417.513 3.516 20 30 HHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc(C(=O)OCC)cc3)C2)CC1 ZINC001142576082 1072863385 /nfs/dbraw/zinc/86/33/85/1072863385.db2.gz NFYPBIQUQLISMB-UHFFFAOYSA-N 1 1 400.519 3.864 20 30 HHEDMO CCOC(=O)C1CCC([N@@H+](CC)CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000554853798 1072902645 /nfs/dbraw/zinc/90/26/45/1072902645.db2.gz JILQAYHNSVPJDU-UHFFFAOYSA-N 1 1 413.562 3.994 20 30 HHEDMO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000588666765 1073083480 /nfs/dbraw/zinc/08/34/80/1073083480.db2.gz WVEGAVJSIGFICU-ZCYQVOJMSA-N 1 1 400.526 3.853 20 30 HHEDMO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000572138413 1073201313 /nfs/dbraw/zinc/20/13/13/1073201313.db2.gz TVMCDOJFJDEGOY-NQIIRXRSSA-N 1 1 422.533 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CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000760591525 1074093072 /nfs/dbraw/zinc/09/30/72/1074093072.db2.gz UXNBCFIXJHLYGV-CYFREDJKSA-N 1 1 420.557 3.594 20 30 HHEDMO C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000573725180 1074637348 /nfs/dbraw/zinc/63/73/48/1074637348.db2.gz FNASIVMHJNOLNC-VQIMIIECSA-N 1 1 402.926 3.981 20 30 HHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000760936516 1074700198 /nfs/dbraw/zinc/70/01/98/1074700198.db2.gz LZFMPSMMQZTQEP-FUHWJXTLSA-N 1 1 420.513 3.667 20 30 HHEDMO COc1ccc(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)cc1OCCCC#N ZINC000574320299 1075219856 /nfs/dbraw/zinc/21/98/56/1075219856.db2.gz NCYYAXWHPBVQLC-UHFFFAOYSA-N 1 1 401.551 3.991 20 30 HHEDMO COc1cc(Cl)cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1O ZINC000761195245 1075584239 /nfs/dbraw/zinc/58/42/39/1075584239.db2.gz LEHIZESAKFXVJM-UHFFFAOYSA-N 1 1 408.889 3.796 20 30 HHEDMO N#CC1(c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2)CCOCC1 ZINC001164628055 719094099 /nfs/dbraw/zinc/09/40/99/719094099.db2.gz LXQPWYZDZBUXDM-GGAORHGYSA-N 1 1 402.542 3.754 20 30 HHEDMO N#Cc1ccc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164671053 719497493 /nfs/dbraw/zinc/49/74/93/719497493.db2.gz BEHVSSCWISIXSO-UHFFFAOYSA-N 1 1 417.488 3.512 20 30 HHEDMO N#Cc1ccc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164671053 719497500 /nfs/dbraw/zinc/49/75/00/719497500.db2.gz BEHVSSCWISIXSO-UHFFFAOYSA-N 1 1 417.488 3.512 20 30 HHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(Cl)c1C#N)C2 ZINC001164816028 720160291 /nfs/dbraw/zinc/16/02/91/720160291.db2.gz JWGHTPLAOIMSRF-GAJHUEQPSA-N 1 1 410.949 3.945 20 30 HHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3C#C[Si](C)(C)C)CC[C@@H]21 ZINC001164842091 720568646 /nfs/dbraw/zinc/56/86/46/720568646.db2.gz WKVGFCUSNNZDQH-VJBWXMMDSA-N 1 1 421.665 3.885 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccnc(Cl)c1C#N)[C@H]2C ZINC001164861891 720930343 /nfs/dbraw/zinc/93/03/43/720930343.db2.gz USUUIUCKKIBJMK-ZDUSSCGKSA-N 1 1 408.884 3.769 20 30 HHEDMO N#Cc1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl ZINC001164906346 721536214 /nfs/dbraw/zinc/53/62/14/721536214.db2.gz JZNBZEQPGBFJKN-FUHWJXTLSA-N 1 1 422.838 3.633 20 30 HHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C#C[Si](C)(C)C)[C@@H]2CCCO[C@H]21 ZINC001164804684 721565120 /nfs/dbraw/zinc/56/51/20/721565120.db2.gz MCPQIPYPJFTFHR-DNVJHFABSA-N 1 1 420.633 3.574 20 30 HHEDMO N#Cc1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164905720 721582643 /nfs/dbraw/zinc/58/26/43/721582643.db2.gz VJIXMCOAPUGYQR-LJQANCHMSA-N 1 1 403.864 3.739 20 30 HHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2C#N)[C@H]2CCCO[C@H]12 ZINC001164806271 721588604 /nfs/dbraw/zinc/58/86/04/721588604.db2.gz MRUDUKWAEARECI-SCTDSRPQSA-N 1 1 418.328 3.523 20 30 HHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2C#N)[C@H]2CCCO[C@H]12 ZINC001164806271 721588605 /nfs/dbraw/zinc/58/86/05/721588605.db2.gz MRUDUKWAEARECI-SCTDSRPQSA-N 1 1 418.328 3.523 20 30 HHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2C#N)[C@@H]2CCCO[C@H]12 ZINC001164806267 721588885 /nfs/dbraw/zinc/58/88/85/721588885.db2.gz MRUDUKWAEARECI-LMMKCTJWSA-N 1 1 418.328 3.523 20 30 HHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2C#N)[C@@H]2CCCO[C@H]12 ZINC001164806267 721588887 /nfs/dbraw/zinc/58/88/87/721588887.db2.gz MRUDUKWAEARECI-LMMKCTJWSA-N 1 1 418.328 3.523 20 30 HHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301419887 970919819 /nfs/dbraw/zinc/91/98/19/970919819.db2.gz DONZSLJMAKSSCH-SFHVURJKSA-N 1 1 401.470 3.973 20 30 HHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301613452 971002616 /nfs/dbraw/zinc/00/26/16/971002616.db2.gz AAPNXJKNBKSLFV-UHFFFAOYSA-N 1 1 419.407 3.981 20 30 HHEDMO N#Cc1cc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)ccc1C(F)(F)F ZINC000302185788 971201534 /nfs/dbraw/zinc/20/15/34/971201534.db2.gz HSCRRSUHHMDAAN-KRWDZBQOSA-N 1 1 416.447 3.886 20 30 HHEDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](CC(=O)c3cn(CCC#N)c4ccccc34)CC2)C1 ZINC000303237500 971574588 /nfs/dbraw/zinc/57/45/88/971574588.db2.gz YRCVDVXOIRNYPZ-LJQANCHMSA-N 1 1 420.557 3.708 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCC(n3ccnc3)CC2)c1C#N ZINC000303341585 971642436 /nfs/dbraw/zinc/64/24/36/971642436.db2.gz FLSAGPWHRULVLE-UHFFFAOYSA-N 1 1 420.492 3.577 20 30 HHEDMO CCCC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H](CC)c1ccccc1 ZINC000303596860 971887942 /nfs/dbraw/zinc/88/79/42/971887942.db2.gz JFLBDCKHQPOPMX-JOCHJYFZSA-N 1 1 423.561 3.757 20 30 HHEDMO CC(C)[C@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC[N@H+]1C ZINC000553166577 1013126062 /nfs/dbraw/zinc/12/60/62/1013126062.db2.gz UOYFQQUQFBZAJM-HXUWFJFHSA-N 1 1 402.970 3.617 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303793946 972031537 /nfs/dbraw/zinc/03/15/37/972031537.db2.gz VJUIKZOJRNSZBW-CVDCTZTESA-N 1 1 421.589 3.858 20 30 HHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 ZINC000542212526 1013158913 /nfs/dbraw/zinc/15/89/13/1013158913.db2.gz OHQZLGDZGSUPJF-QGZVFWFLSA-N 1 1 413.319 3.761 20 30 HHEDMO C=CC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn12)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629690 1013182739 /nfs/dbraw/zinc/18/27/39/1013182739.db2.gz VOMVWARSWWYUKP-OAHLLOKOSA-N 1 1 422.562 3.948 20 30 HHEDMO C=CC[N@H+](Cc1c(C(C)C)nc2sc(C)nn12)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629690 1013182744 /nfs/dbraw/zinc/18/27/44/1013182744.db2.gz VOMVWARSWWYUKP-OAHLLOKOSA-N 1 1 422.562 3.948 20 30 HHEDMO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(OC)c1 ZINC000542249204 1013208629 /nfs/dbraw/zinc/20/86/29/1013208629.db2.gz XLRKARRSWWKYAN-QHCPKHFHSA-N 1 1 419.525 3.904 20 30 HHEDMO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(OC)c1 ZINC000542249204 1013208638 /nfs/dbraw/zinc/20/86/38/1013208638.db2.gz XLRKARRSWWKYAN-QHCPKHFHSA-N 1 1 419.525 3.904 20 30 HHEDMO Cn1cc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c(C(F)(F)F)n1 ZINC000537693336 1013257832 /nfs/dbraw/zinc/25/78/32/1013257832.db2.gz SRCLBNXGOFMXHO-UHFFFAOYSA-N 1 1 402.424 3.848 20 30 HHEDMO Cn1cc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c(C(F)(F)F)n1 ZINC000537693336 1013257837 /nfs/dbraw/zinc/25/78/37/1013257837.db2.gz SRCLBNXGOFMXHO-UHFFFAOYSA-N 1 1 402.424 3.848 20 30 HHEDMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000553334440 1013281516 /nfs/dbraw/zinc/28/15/16/1013281516.db2.gz MGQKROCPKLAGTF-XNROWMOSSA-N 1 1 405.514 3.813 20 30 HHEDMO C=CC[C@H](C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000553377470 1013312452 /nfs/dbraw/zinc/31/24/52/1013312452.db2.gz GJCPUXLTVBDNNH-RPBOFIJWSA-N 1 1 403.570 3.765 20 30 HHEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000553403323 1013330526 /nfs/dbraw/zinc/33/05/26/1013330526.db2.gz HSCBDLPBKZQKTI-UHFFFAOYSA-N 1 1 405.502 3.651 20 30 HHEDMO COc1cc(C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C2CC2)ccc1OC(F)F ZINC000015036583 962636245 /nfs/dbraw/zinc/63/62/45/962636245.db2.gz OIAJADFAPARVAB-UHFFFAOYSA-N 1 1 421.488 3.946 20 30 HHEDMO COc1cc(C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C2CC2)ccc1OC(F)F ZINC000015036583 962636253 /nfs/dbraw/zinc/63/62/53/962636253.db2.gz OIAJADFAPARVAB-UHFFFAOYSA-N 1 1 421.488 3.946 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCOc2ccc(C)cc2)c1C#N ZINC000015102766 962662480 /nfs/dbraw/zinc/66/24/80/962662480.db2.gz CNDJBBUQALXHIQ-UHFFFAOYSA-N 1 1 420.513 3.876 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCOc2ccc(C)cc2)c1C#N ZINC000015102766 962662485 /nfs/dbraw/zinc/66/24/85/962662485.db2.gz CNDJBBUQALXHIQ-UHFFFAOYSA-N 1 1 420.513 3.876 20 30 HHEDMO C[N@@H+](CCc1cccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1)C1CC1 ZINC000553464325 1013375538 /nfs/dbraw/zinc/37/55/38/1013375538.db2.gz HIDJFKUXZDSJBE-IBGZPJMESA-N 1 1 406.505 3.799 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000542425612 1013378079 /nfs/dbraw/zinc/37/80/79/1013378079.db2.gz TXYIDHJKFHXIHL-MOPGFXCFSA-N 1 1 422.529 3.710 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021404864 963460940 /nfs/dbraw/zinc/46/09/40/963460940.db2.gz DNARVXGIASQSPD-INIZCTEOSA-N 1 1 414.912 3.886 20 30 HHEDMO COc1ccc([C@@H](CNC(=O)CN2CC[NH+](C)CC2)c2c[nH]c3ccccc32)cc1 ZINC000022771663 963712395 /nfs/dbraw/zinc/71/23/95/963712395.db2.gz IZLZYIRKUINVIU-OAQYLSRUSA-N 1 1 406.530 3.512 20 30 HHEDMO Cc1cccc(CN2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)c1 ZINC000022920676 963740024 /nfs/dbraw/zinc/74/00/24/963740024.db2.gz CKEJUPBHHWTWFS-UHFFFAOYSA-N 1 1 422.598 3.953 20 30 HHEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccc(F)c(F)c1F ZINC000023218090 963784277 /nfs/dbraw/zinc/78/42/77/963784277.db2.gz WNPRKRJTCLBJIU-UHFFFAOYSA-N 1 1 424.448 3.716 20 30 HHEDMO CC(C)([C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000542519373 1013463741 /nfs/dbraw/zinc/46/37/41/1013463741.db2.gz DZYIWYQUSOXWSY-JOCHJYFZSA-N 1 1 412.484 3.980 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](c2nnc3ccccn32)C(C)C)c1C ZINC000542543106 1013488042 /nfs/dbraw/zinc/48/80/42/1013488042.db2.gz CSNQLPYWYGUNEV-QFIPXVFZSA-N 1 1 404.518 3.580 20 30 HHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000025698514 964337083 /nfs/dbraw/zinc/33/70/83/964337083.db2.gz MDHAXPFLGRUWPG-AZUAARDMSA-N 1 1 420.340 3.616 20 30 HHEDMO CCOc1cc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC(F)F ZINC000026454616 964571829 /nfs/dbraw/zinc/57/18/29/964571829.db2.gz PKDBBCKWZDVVAB-OAHLLOKOSA-N 1 1 409.477 3.850 20 30 HHEDMO CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC(F)F ZINC000026454616 964571837 /nfs/dbraw/zinc/57/18/37/964571837.db2.gz PKDBBCKWZDVVAB-OAHLLOKOSA-N 1 1 409.477 3.850 20 30 HHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000051472325 964582694 /nfs/dbraw/zinc/58/26/94/964582694.db2.gz WCVJTPWCMXVMLH-UYAOXDASSA-N 1 1 401.304 3.898 20 30 HHEDMO C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@H+]1CCc2ccccc2C1 ZINC000052532132 964924799 /nfs/dbraw/zinc/92/47/99/964924799.db2.gz GFRGVDXKFTZKHI-SFHVURJKSA-N 1 1 415.493 3.907 20 30 HHEDMO CC(C)C(=O)Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000028885201 965207248 /nfs/dbraw/zinc/20/72/48/965207248.db2.gz MIEZPLYVYHKFBS-UHFFFAOYSA-N 1 1 404.514 3.501 20 30 HHEDMO CC(C)C(=O)Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000028885201 965207257 /nfs/dbraw/zinc/20/72/57/965207257.db2.gz MIEZPLYVYHKFBS-UHFFFAOYSA-N 1 1 404.514 3.501 20 30 HHEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1C ZINC000029115961 965271376 /nfs/dbraw/zinc/27/13/76/965271376.db2.gz MWAUTTOVIRGSPH-UHFFFAOYSA-N 1 1 418.541 3.901 20 30 HHEDMO Cc1cc(C)n(-c2ccc(C[NH+]3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2)n1 ZINC000029227817 965312461 /nfs/dbraw/zinc/31/24/61/965312461.db2.gz GXMUNSVGVHIFPQ-UHFFFAOYSA-N 1 1 402.502 3.548 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3ccc4c(c3)OCO4)sc2C1 ZINC000054427369 965513306 /nfs/dbraw/zinc/51/33/06/965513306.db2.gz JZBQFXMJANEICO-AWEZNQCLSA-N 1 1 411.527 3.934 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000029850671 965527289 /nfs/dbraw/zinc/52/72/89/965527289.db2.gz ILGAIYFMKHYXTI-MRXNPFEDSA-N 1 1 416.447 3.722 20 30 HHEDMO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029858903 965529819 /nfs/dbraw/zinc/52/98/19/965529819.db2.gz MWUSCRIQSHQLPI-UHFFFAOYSA-N 1 1 416.884 3.510 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Br)ccc3F)CC2)cc1 ZINC000029984597 965582861 /nfs/dbraw/zinc/58/28/61/965582861.db2.gz FFHZDCOSPAZDCZ-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Br)ccc3F)CC2)cc1 ZINC000029984597 965582887 /nfs/dbraw/zinc/58/28/87/965582887.db2.gz FFHZDCOSPAZDCZ-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000029985595 965584008 /nfs/dbraw/zinc/58/40/08/965584008.db2.gz LUXVJRPYKQOWNZ-UHFFFAOYSA-N 1 1 418.324 3.978 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000029985595 965584017 /nfs/dbraw/zinc/58/40/17/965584017.db2.gz LUXVJRPYKQOWNZ-UHFFFAOYSA-N 1 1 418.324 3.978 20 30 HHEDMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058397047 965719183 /nfs/dbraw/zinc/71/91/83/965719183.db2.gz SFCJKSIHTZFZIA-UHFFFAOYSA-N 1 1 409.530 3.835 20 30 HHEDMO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000058396720 965719622 /nfs/dbraw/zinc/71/96/22/965719622.db2.gz XFWMIEVNPOYBDC-KRWDZBQOSA-N 1 1 407.283 3.526 20 30 HHEDMO C[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000058396720 965719630 /nfs/dbraw/zinc/71/96/30/965719630.db2.gz XFWMIEVNPOYBDC-KRWDZBQOSA-N 1 1 407.283 3.526 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000058580537 965793567 /nfs/dbraw/zinc/79/35/67/965793567.db2.gz ZYYKOEUBPPZVBS-JOCHJYFZSA-N 1 1 401.510 3.663 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C(=O)NCCCC)CC[C@@H]1C ZINC000060041117 966053941 /nfs/dbraw/zinc/05/39/41/966053941.db2.gz AQOYXOKBUKEWPO-ZWKOTPCHSA-N 1 1 403.592 3.920 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](C(=O)NCCCC)CC[C@@H]1C ZINC000060041117 966053951 /nfs/dbraw/zinc/05/39/51/966053951.db2.gz AQOYXOKBUKEWPO-ZWKOTPCHSA-N 1 1 403.592 3.920 20 30 HHEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000032267986 966209999 /nfs/dbraw/zinc/20/99/99/966209999.db2.gz OOQYDRXNKRCIIA-OAQYLSRUSA-N 1 1 423.582 3.937 20 30 HHEDMO Cc1ccc(-c2nc(CC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cs2)o1 ZINC000032299255 966214407 /nfs/dbraw/zinc/21/44/07/966214407.db2.gz TUVCYORYTOKNQV-UHFFFAOYSA-N 1 1 420.538 3.860 20 30 HHEDMO Cc1ccc(-c2nc(CC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cs2)o1 ZINC000032299255 966214416 /nfs/dbraw/zinc/21/44/16/966214416.db2.gz TUVCYORYTOKNQV-UHFFFAOYSA-N 1 1 420.538 3.860 20 30 HHEDMO COc1ccc(CN(C(=O)C[NH+]2CCC(C#N)CC2)[C@@H](C)Cc2cccs2)cc1 ZINC000060893620 966320399 /nfs/dbraw/zinc/32/03/99/966320399.db2.gz CDRQHDNUYVULRP-SFHVURJKSA-N 1 1 411.571 3.952 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC000061398548 966450630 /nfs/dbraw/zinc/45/06/30/966450630.db2.gz NSZYQUGTCAEXBQ-UHFFFAOYSA-N 1 1 418.545 3.683 20 30 HHEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000056796270 966467815 /nfs/dbraw/zinc/46/78/15/966467815.db2.gz QJBFWNNQBPIFTN-FQEVSTJZSA-N 1 1 416.566 3.574 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000062046582 966606614 /nfs/dbraw/zinc/60/66/14/966606614.db2.gz DENSMJQEVYSHFU-MRXNPFEDSA-N 1 1 424.932 3.841 20 30 HHEDMO Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)CC2)c1 ZINC000538109662 1013674021 /nfs/dbraw/zinc/67/40/21/1013674021.db2.gz MMGDNRVADKSTCD-UHFFFAOYSA-N 1 1 411.509 3.961 20 30 HHEDMO C=CCOc1ccc(CNC(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000553889447 1013677662 /nfs/dbraw/zinc/67/76/62/1013677662.db2.gz JZRMKXRBJDVBJH-UHFFFAOYSA-N 1 1 412.534 3.568 20 30 HHEDMO CSc1ccc(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000042643475 966819468 /nfs/dbraw/zinc/81/94/68/966819468.db2.gz FDHINOGFCVDSHG-SFHVURJKSA-N 1 1 408.571 3.815 20 30 HHEDMO CCOc1cccc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000063404923 966845735 /nfs/dbraw/zinc/84/57/35/966845735.db2.gz MSEQANJHMZQYOS-LJQANCHMSA-N 1 1 406.530 3.935 20 30 HHEDMO CC(C)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC000063750633 966946528 /nfs/dbraw/zinc/94/65/28/966946528.db2.gz PJUXHTBJYQXONU-UHFFFAOYSA-N 1 1 404.558 3.681 20 30 HHEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(C#N)cc1 ZINC000063754469 966947585 /nfs/dbraw/zinc/94/75/85/966947585.db2.gz VCSPTJJQMIPWAO-UHFFFAOYSA-N 1 1 422.554 3.847 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)C2=O)cc1 ZINC000553929797 1013706735 /nfs/dbraw/zinc/70/67/35/1013706735.db2.gz PMIJAKJRHPZUES-CZTZKLFOSA-N 1 1 407.539 3.554 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)C2=O)cc1 ZINC000553929797 1013706746 /nfs/dbraw/zinc/70/67/46/1013706746.db2.gz PMIJAKJRHPZUES-CZTZKLFOSA-N 1 1 407.539 3.554 20 30 HHEDMO CCOc1ccc(-c2noc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000044872350 967306516 /nfs/dbraw/zinc/30/65/16/967306516.db2.gz HIBOXQVLRYLDAO-UHFFFAOYSA-N 1 1 417.513 3.715 20 30 HHEDMO COc1ccc(-c2cnc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000065281149 967427631 /nfs/dbraw/zinc/42/76/31/967427631.db2.gz OQEIQRBIIWLZKM-UHFFFAOYSA-N 1 1 402.498 3.930 20 30 HHEDMO C=CCc1cc(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000065290721 967429505 /nfs/dbraw/zinc/42/95/05/967429505.db2.gz GBFORDVGHDBFKL-QGZVFWFLSA-N 1 1 403.567 3.742 20 30 HHEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)c1C#N ZINC000538170316 1013730724 /nfs/dbraw/zinc/73/07/24/1013730724.db2.gz YPRWAYFZDCKTBQ-GFCCVEGCSA-N 1 1 403.276 3.967 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000047083989 968050386 /nfs/dbraw/zinc/05/03/86/968050386.db2.gz YWGMXMDPVWJWAP-UHFFFAOYSA-N 1 1 415.497 3.631 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN([C@@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000554048918 1013773265 /nfs/dbraw/zinc/77/32/65/1013773265.db2.gz FARVIMOUFNKEGE-JOCHJYFZSA-N 1 1 408.933 3.525 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN([C@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000554048919 1013773543 /nfs/dbraw/zinc/77/35/43/1013773543.db2.gz FARVIMOUFNKEGE-QFIPXVFZSA-N 1 1 408.933 3.525 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000047783206 968311355 /nfs/dbraw/zinc/31/13/55/968311355.db2.gz QRRFMYZLPIESNT-CQSZACIVSA-N 1 1 416.576 3.698 20 30 HHEDMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000538261068 1013802886 /nfs/dbraw/zinc/80/28/86/1013802886.db2.gz MZPROEVAXWWJKX-VQIMIIECSA-N 1 1 416.978 3.803 20 30 HHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000538261068 1013802894 /nfs/dbraw/zinc/80/28/94/1013802894.db2.gz MZPROEVAXWWJKX-VQIMIIECSA-N 1 1 416.978 3.803 20 30 HHEDMO N#CCNC(=O)C[NH2+][C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC000538261705 1013803679 /nfs/dbraw/zinc/80/36/79/1013803679.db2.gz WHDVRRLHHGWSTB-QGZVFWFLSA-N 1 1 424.701 3.755 20 30 HHEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c2ccccc21 ZINC000065964768 968740795 /nfs/dbraw/zinc/74/07/95/968740795.db2.gz WMUDGVOWYKDZSO-UHFFFAOYSA-N 1 1 420.557 3.899 20 30 HHEDMO Cc1cc(C(O)=CONC(=[NH2+])Cc2csc(C)n2)c(C)n1CCc1cccs1 ZINC000071966205 968914234 /nfs/dbraw/zinc/91/42/34/968914234.db2.gz YDTUCULNXYTPRU-UHFFFAOYSA-N 1 1 416.572 3.888 20 30 HHEDMO Cn1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(-c2ccccc2)n1 ZINC000538308027 1013840385 /nfs/dbraw/zinc/84/03/85/1013840385.db2.gz JKVHIBANRUTUSU-UHFFFAOYSA-N 1 1 414.469 3.529 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000096955698 969063702 /nfs/dbraw/zinc/06/37/02/969063702.db2.gz GGOPOGQEKIPODS-UHFFFAOYSA-N 1 1 407.543 3.826 20 30 HHEDMO N#Cc1ccc(NCC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000097058564 969085604 /nfs/dbraw/zinc/08/56/04/969085604.db2.gz AXJLFKILBZNKAT-UHFFFAOYSA-N 1 1 416.447 3.723 20 30 HHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000554242992 1013869498 /nfs/dbraw/zinc/86/94/98/1013869498.db2.gz KWOOSAQKQWVUSH-SFHVURJKSA-N 1 1 420.538 3.564 20 30 HHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000554242992 1013869503 /nfs/dbraw/zinc/86/95/03/1013869503.db2.gz KWOOSAQKQWVUSH-SFHVURJKSA-N 1 1 420.538 3.564 20 30 HHEDMO COc1ccc(N2CCC[N@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)cc1 ZINC000108094021 969357045 /nfs/dbraw/zinc/35/70/45/969357045.db2.gz XBVMHUANHGSCCW-UHFFFAOYSA-N 1 1 420.557 3.771 20 30 HHEDMO COc1ccc(N2CCC[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)cc1 ZINC000108094021 969357052 /nfs/dbraw/zinc/35/70/52/969357052.db2.gz XBVMHUANHGSCCW-UHFFFAOYSA-N 1 1 420.557 3.771 20 30 HHEDMO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1OC ZINC000109577767 969537196 /nfs/dbraw/zinc/53/71/96/969537196.db2.gz HLWUSTGXQQIHAE-KRWDZBQOSA-N 1 1 400.544 3.964 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000110988534 969755078 /nfs/dbraw/zinc/75/50/78/969755078.db2.gz MMAZZGBCUJTWGN-SFHVURJKSA-N 1 1 419.460 3.956 20 30 HHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000116862154 969926431 /nfs/dbraw/zinc/92/64/31/969926431.db2.gz LGUCIGLOXLLZCD-SFHVURJKSA-N 1 1 411.531 3.625 20 30 HHEDMO C=CCSc1ccccc1NC(=O)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000137224886 969978839 /nfs/dbraw/zinc/97/88/39/969978839.db2.gz WVVDEECRNLSPRG-UHFFFAOYSA-N 1 1 411.571 3.600 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000554404830 1013935251 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ZINC000429055278 976342465 /nfs/dbraw/zinc/34/24/65/976342465.db2.gz STLDZOPLRKOAKV-HDICACEKSA-N 1 1 414.550 3.700 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429724858 977014591 /nfs/dbraw/zinc/01/45/91/977014591.db2.gz XQUNJHZLYGBVEX-BGYRXZFFSA-N 1 1 407.562 3.952 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCSCC[C@@H]2C)c1C#N ZINC000429766182 977055341 /nfs/dbraw/zinc/05/53/41/977055341.db2.gz OPXOEPOEOYZUKZ-AWEZNQCLSA-N 1 1 400.523 3.871 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCSCC[C@@H]2C)c1C#N ZINC000429766182 977055354 /nfs/dbraw/zinc/05/53/54/977055354.db2.gz OPXOEPOEOYZUKZ-AWEZNQCLSA-N 1 1 400.523 3.871 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCSCC[C@H]2C)c1C#N ZINC000429766184 977055648 /nfs/dbraw/zinc/05/56/48/977055648.db2.gz OPXOEPOEOYZUKZ-CQSZACIVSA-N 1 1 400.523 3.871 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCSCC[C@H]2C)c1C#N ZINC000429766184 977055658 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YKJXVSXVHCISFY-NOZRDPDXSA-N 1 1 407.558 3.972 20 30 HHEDMO C=CCc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000430664975 977676043 /nfs/dbraw/zinc/67/60/43/977676043.db2.gz JSDZBBTWLRMEOL-DENIHFKCSA-N 1 1 408.542 3.972 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000430861989 977820755 /nfs/dbraw/zinc/82/07/55/977820755.db2.gz CKLKPLWNKKGICC-IFMALSPDSA-N 1 1 405.546 3.637 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000430861992 977821032 /nfs/dbraw/zinc/82/10/32/977821032.db2.gz CKLKPLWNKKGICC-RBBKRZOGSA-N 1 1 405.546 3.637 20 30 HHEDMO C=CCN1C(=O)N(C[C@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431265065 978150836 /nfs/dbraw/zinc/15/08/36/978150836.db2.gz GNMUHVSNUHUCBG-PKTZIBPZSA-N 1 1 403.526 3.713 20 30 HHEDMO C=CCN1C(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C(=O)[C@H]1Cc1ccccc1 ZINC000431266027 978151932 /nfs/dbraw/zinc/15/19/32/978151932.db2.gz YONCEEHYOZTOJZ-AGILITTLSA-N 1 1 417.553 3.959 20 30 HHEDMO C=CCN1C(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431266030 978151966 /nfs/dbraw/zinc/15/19/66/978151966.db2.gz YONCEEHYOZTOJZ-ZTCOLXNVSA-N 1 1 417.553 3.959 20 30 HHEDMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000431377985 978251696 /nfs/dbraw/zinc/25/16/96/978251696.db2.gz QTLQCGHBYKEHTE-PGRDOPGGSA-N 1 1 418.541 3.596 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000431399571 978274174 /nfs/dbraw/zinc/27/41/74/978274174.db2.gz AAFAFJQGOXYCNR-PGRDOPGGSA-N 1 1 406.530 3.777 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431671083 978424994 /nfs/dbraw/zinc/42/49/94/978424994.db2.gz BQSPZOYOVYCEDJ-RDPSFJRHSA-N 1 1 420.557 3.769 20 30 HHEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000431982837 978630378 /nfs/dbraw/zinc/63/03/78/978630378.db2.gz SLAOJAVHUHZCKQ-HXUWFJFHSA-N 1 1 424.932 3.630 20 30 HHEDMO 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3.829 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434855562 980450165 /nfs/dbraw/zinc/45/01/65/980450165.db2.gz MDLXEWNIJBJTMK-HXUWFJFHSA-N 1 1 405.527 3.680 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434855561 980450308 /nfs/dbraw/zinc/45/03/08/980450308.db2.gz MDLXEWNIJBJTMK-FQEVSTJZSA-N 1 1 405.527 3.680 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434896508 980477338 /nfs/dbraw/zinc/47/73/38/980477338.db2.gz QWAHLUSVSZBSNW-TZIWHRDSSA-N 1 1 408.546 3.830 20 30 HHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000435025379 980580464 /nfs/dbraw/zinc/58/04/64/980580464.db2.gz ISRWIXVUWYDVHI-NOZRDPDXSA-N 1 1 403.526 3.760 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C2(c3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000435043092 980590695 /nfs/dbraw/zinc/59/06/95/980590695.db2.gz OVWBDRDDTSOAMJ-KDURUIRLSA-N 1 1 403.526 3.515 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C2(c3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000435043092 980590711 /nfs/dbraw/zinc/59/07/11/980590711.db2.gz OVWBDRDDTSOAMJ-KDURUIRLSA-N 1 1 403.526 3.515 20 30 HHEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)cc(C)c1C)C(C)C ZINC000435065368 980609023 /nfs/dbraw/zinc/60/90/23/980609023.db2.gz QNBWOGIUOUKZRU-FQEVSTJZSA-N 1 1 407.580 3.527 20 30 HHEDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435158224 980686625 /nfs/dbraw/zinc/68/66/25/980686625.db2.gz RADWQFUBWFWCIK-UHFFFAOYSA-N 1 1 411.449 3.507 20 30 HHEDMO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435370221 980819676 /nfs/dbraw/zinc/81/96/76/980819676.db2.gz HZARUFNQRAYRKG-GHTZIAJQSA-N 1 1 415.497 3.608 20 30 HHEDMO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435370223 980819719 /nfs/dbraw/zinc/81/97/19/980819719.db2.gz HZARUFNQRAYRKG-RXVVDRJESA-N 1 1 415.497 3.608 20 30 HHEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435375956 980825321 /nfs/dbraw/zinc/82/53/21/980825321.db2.gz XFAXVZHAWNYHTL-GHTZIAJQSA-N 1 1 415.497 3.608 20 30 HHEDMO N#Cc1ccc(SCC(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000435380403 980828277 /nfs/dbraw/zinc/82/82/77/980828277.db2.gz RBTZVOZTFFLGND-FQEVSTJZSA-N 1 1 417.538 3.933 20 30 HHEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000435610014 980961231 /nfs/dbraw/zinc/96/12/31/980961231.db2.gz FENHUNXBZSXGLF-UHFFFAOYSA-N 1 1 400.526 3.938 20 30 HHEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000435810836 981040629 /nfs/dbraw/zinc/04/06/29/981040629.db2.gz UEWHFTUTTURJGI-UHFFFAOYSA-N 1 1 418.545 3.870 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](CO)c2ccccc2)c1C#N ZINC000436257011 981272459 /nfs/dbraw/zinc/27/24/59/981272459.db2.gz DDWIRPMDYGARDQ-QFIPXVFZSA-N 1 1 402.498 3.570 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@@H](CO)c2ccccc2)c1C#N ZINC000436257011 981272461 /nfs/dbraw/zinc/27/24/61/981272461.db2.gz DDWIRPMDYGARDQ-QFIPXVFZSA-N 1 1 402.498 3.570 20 30 HHEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000448321816 981698785 /nfs/dbraw/zinc/69/87/85/981698785.db2.gz OLKQRIBRTIQNEX-OAQYLSRUSA-N 1 1 420.513 3.526 20 30 HHEDMO N#CCCSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437095758 981759014 /nfs/dbraw/zinc/75/90/14/981759014.db2.gz XJOLJKOFTZMWPJ-SFHVURJKSA-N 1 1 414.575 3.544 20 30 HHEDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)s1 ZINC000437414611 982056543 /nfs/dbraw/zinc/05/65/43/982056543.db2.gz WODZHZMPJVEUTG-UHFFFAOYSA-N 1 1 405.470 3.924 20 30 HHEDMO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460380430 982158563 /nfs/dbraw/zinc/15/85/63/982158563.db2.gz NIJIJWNMLBBHML-UHFFFAOYSA-N 1 1 410.522 3.884 20 30 HHEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460557003 982342839 /nfs/dbraw/zinc/34/28/39/982342839.db2.gz UJLAIYLPIYBHAM-UHFFFAOYSA-N 1 1 403.534 3.833 20 30 HHEDMO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)c1 ZINC000437773600 982347749 /nfs/dbraw/zinc/34/77/49/982347749.db2.gz MHNWEWZFYVLGLR-MBSDFSHPSA-N 1 1 419.525 3.819 20 30 HHEDMO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000460568043 982352497 /nfs/dbraw/zinc/35/24/97/982352497.db2.gz RPILWEKLUAASDG-JOCHJYFZSA-N 1 1 414.642 3.583 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000437786670 982355746 /nfs/dbraw/zinc/35/57/46/982355746.db2.gz OGJWMXWRPAXPCQ-DBOLQNLKSA-N 1 1 407.505 3.769 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000437786670 982355750 /nfs/dbraw/zinc/35/57/50/982355750.db2.gz OGJWMXWRPAXPCQ-DBOLQNLKSA-N 1 1 407.505 3.769 20 30 HHEDMO C=C(C)Cn1c(COCC)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460587173 982371695 /nfs/dbraw/zinc/37/16/95/982371695.db2.gz UQDUTBFYWWCMDC-DEOSSOPVSA-N 1 1 409.578 3.883 20 30 HHEDMO N#CCCn1ncc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1-c1ccccc1 ZINC000437840160 982397332 /nfs/dbraw/zinc/39/73/32/982397332.db2.gz IKIZLMWLUVWELG-OAQYLSRUSA-N 1 1 405.546 3.991 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000437903616 982451881 /nfs/dbraw/zinc/45/18/81/982451881.db2.gz LIOKUGUQYGKBON-FQEVSTJZSA-N 1 1 406.530 3.877 20 30 HHEDMO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460788342 982541206 /nfs/dbraw/zinc/54/12/06/982541206.db2.gz UXYLULRKVRQGBO-QGZVFWFLSA-N 1 1 415.969 3.864 20 30 HHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000438095328 982585062 /nfs/dbraw/zinc/58/50/62/982585062.db2.gz MQZVLLWGXUVULT-QGZVFWFLSA-N 1 1 400.404 3.859 20 30 HHEDMO N#Cc1ccc(CN2CCCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000438135416 982606358 /nfs/dbraw/zinc/60/63/58/982606358.db2.gz APNACHXTGWTBIG-XMMPIXPASA-N 1 1 423.605 3.573 20 30 HHEDMO N#Cc1ccc(CN2CCCN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000438135416 982606361 /nfs/dbraw/zinc/60/63/61/982606361.db2.gz APNACHXTGWTBIG-XMMPIXPASA-N 1 1 423.605 3.573 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460937994 982675967 /nfs/dbraw/zinc/67/59/67/982675967.db2.gz PLDBWFWPXYAVQK-QGZVFWFLSA-N 1 1 401.942 3.856 20 30 HHEDMO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460943230 982680374 /nfs/dbraw/zinc/68/03/74/982680374.db2.gz JNSLBMCYILFDAK-JOCHJYFZSA-N 1 1 407.562 3.985 20 30 HHEDMO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460953729 982687411 /nfs/dbraw/zinc/68/74/11/982687411.db2.gz UCVFBNNBZIXNDQ-QFIPXVFZSA-N 1 1 423.561 3.821 20 30 HHEDMO N#Cc1ccc(CSc2ccccc2C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000461186056 982903886 /nfs/dbraw/zinc/90/38/86/982903886.db2.gz NQGVIHRAPFDSAM-OAQYLSRUSA-N 1 1 421.566 3.645 20 30 HHEDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000438645392 982963876 /nfs/dbraw/zinc/96/38/76/982963876.db2.gz KBAJPFAZTPOGTE-CKEIUWERSA-N 1 1 410.440 3.683 20 30 HHEDMO N#Cc1cc(F)cc(C2(C(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)CC2)c1 ZINC000461453963 983119754 /nfs/dbraw/zinc/11/97/54/983119754.db2.gz ZHSCQTZZTXZVIF-RTWAWAEBSA-N 1 1 403.501 3.709 20 30 HHEDMO COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)cc1 ZINC000438855436 983122069 /nfs/dbraw/zinc/12/20/69/983122069.db2.gz UXCQNGLQXBUMED-QHCPKHFHSA-N 1 1 406.530 3.958 20 30 HHEDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)cc(OC)c1 ZINC000438858961 983124920 /nfs/dbraw/zinc/12/49/20/983124920.db2.gz OSYYWMKLCFHAAK-NZQKXSOJSA-N 1 1 422.529 3.622 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)cc(OC)c1 ZINC000438858961 983124924 /nfs/dbraw/zinc/12/49/24/983124924.db2.gz OSYYWMKLCFHAAK-NZQKXSOJSA-N 1 1 422.529 3.622 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000439367270 983381122 /nfs/dbraw/zinc/38/11/22/983381122.db2.gz WDMVVMRXRKGOPD-GOSISDBHSA-N 1 1 423.513 3.612 20 30 HHEDMO Cc1sc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000439474329 983423797 /nfs/dbraw/zinc/42/37/97/983423797.db2.gz BPFPHWKFZPWTOA-YCRPNKLZSA-N 1 1 403.548 3.619 20 30 HHEDMO Cc1sc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000439474329 983423801 /nfs/dbraw/zinc/42/38/01/983423801.db2.gz BPFPHWKFZPWTOA-YCRPNKLZSA-N 1 1 403.548 3.619 20 30 HHEDMO CCCc1c(NC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)cnn1-c1cccc(C#N)c1 ZINC000439682438 983499284 /nfs/dbraw/zinc/49/92/84/983499284.db2.gz QAEOEHZKLYBSKY-IBGZPJMESA-N 1 1 408.550 3.892 20 30 HHEDMO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000439717756 983513972 /nfs/dbraw/zinc/51/39/72/983513972.db2.gz LBFJSUHRYHEDES-UHFFFAOYSA-N 1 1 403.885 3.694 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000439776281 983534073 /nfs/dbraw/zinc/53/40/73/983534073.db2.gz SBFDNHHABAFXLB-DVECYGJZSA-N 1 1 404.558 3.953 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000439776281 983534076 /nfs/dbraw/zinc/53/40/76/983534076.db2.gz SBFDNHHABAFXLB-DVECYGJZSA-N 1 1 404.558 3.953 20 30 HHEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000440446754 983760204 /nfs/dbraw/zinc/76/02/04/983760204.db2.gz NBLHYTBRIQBXJE-UHFFFAOYSA-N 1 1 420.561 3.675 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1 ZINC000440917034 983972483 /nfs/dbraw/zinc/97/24/83/983972483.db2.gz ZBONCZXASOMIJG-HXUWFJFHSA-N 1 1 416.481 3.527 20 30 HHEDMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC(=O)NCC#N ZINC000440953286 983995313 /nfs/dbraw/zinc/99/53/13/983995313.db2.gz BWHBWJBQNKCKOV-IBGZPJMESA-N 1 1 405.420 3.787 20 30 HHEDMO 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COc1ccccc1[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[NH+](C)C ZINC000443924596 986129785 /nfs/dbraw/zinc/12/97/85/986129785.db2.gz WNEYTTDZNZNNGZ-QFIPXVFZSA-N 1 1 404.514 3.986 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(NCc3ccncc3OCC(F)(F)F)CC2)cc1 ZINC000463237400 986205769 /nfs/dbraw/zinc/20/57/69/986205769.db2.gz PHCJGDDJHNHXEP-UHFFFAOYSA-N 1 1 404.436 3.649 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)c(Br)c3)CC2)cc1 ZINC000463358480 986324315 /nfs/dbraw/zinc/32/43/15/986324315.db2.gz DUWLJOPGGMPQPN-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)c(Br)c3)CC2)cc1 ZINC000463358480 986324323 /nfs/dbraw/zinc/32/43/23/986324323.db2.gz DUWLJOPGGMPQPN-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000468645781 986359500 /nfs/dbraw/zinc/35/95/00/986359500.db2.gz SAGLLKNNRCPAEN-DEOSSOPVSA-N 1 1 405.542 3.834 20 30 HHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000468645781 986359523 /nfs/dbraw/zinc/35/95/23/986359523.db2.gz SAGLLKNNRCPAEN-DEOSSOPVSA-N 1 1 405.542 3.834 20 30 HHEDMO C=C(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000444186218 986363642 /nfs/dbraw/zinc/36/36/42/986363642.db2.gz RWCQFHPZMNSAMG-UHFFFAOYSA-N 1 1 408.590 3.565 20 30 HHEDMO CC1CCC([N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000444193704 986371137 /nfs/dbraw/zinc/37/11/37/986371137.db2.gz LDZIMRWODGUDJA-ZNIKRAEXSA-N 1 1 421.545 3.742 20 30 HHEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000444196929 986374968 /nfs/dbraw/zinc/37/49/68/986374968.db2.gz NGXWMQWFCPLRQB-SFHVURJKSA-N 1 1 417.985 3.555 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463429896 986401586 /nfs/dbraw/zinc/40/15/86/986401586.db2.gz LOPHOSPGLLSRIH-SQJMNOBHSA-N 1 1 405.542 3.639 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463440048 986417919 /nfs/dbraw/zinc/41/79/19/986417919.db2.gz 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N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000469099922 986815666 /nfs/dbraw/zinc/81/56/66/986815666.db2.gz VPOXYJHCIQRVOF-CQSZACIVSA-N 1 1 417.282 3.706 20 30 HHEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677696 986858755 /nfs/dbraw/zinc/85/87/55/986858755.db2.gz UOKCVIKAVGQNFQ-XZOQPEGZSA-N 1 1 406.526 3.929 20 30 HHEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469161090 986885481 /nfs/dbraw/zinc/88/54/81/986885481.db2.gz ZQDPKLADTIOSQP-NRFANRHFSA-N 1 1 415.497 3.735 20 30 HHEDMO C=CC[C@H]1[N@@H+](CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)CCCC1(C)C ZINC000444781959 986938037 /nfs/dbraw/zinc/93/80/37/986938037.db2.gz PZHXYARIEDBMBH-JOCHJYFZSA-N 1 1 411.590 3.783 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444786115 986941379 /nfs/dbraw/zinc/94/13/79/986941379.db2.gz NDPNXBQCGYSELI-KRWDZBQOSA-N 1 1 423.582 3.753 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H](c4nccn4C)C3)sc2C1 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/nfs/dbraw/zinc/12/37/92/987123792.db2.gz YCGYCFRIHXSYEZ-DNQXCXABSA-N 1 1 420.557 3.798 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000469584937 987250644 /nfs/dbraw/zinc/25/06/44/987250644.db2.gz MEVOEFXHMBBZQA-QGZVFWFLSA-N 1 1 411.525 3.811 20 30 HHEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000470071190 987968982 /nfs/dbraw/zinc/96/89/82/987968982.db2.gz IUKMNHRHGSIEGE-LJQANCHMSA-N 1 1 412.500 3.648 20 30 HHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)cc2)c1C ZINC000464020077 988131351 /nfs/dbraw/zinc/13/13/51/988131351.db2.gz OUHQIMCMILDAEB-UHFFFAOYSA-N 1 1 417.469 3.749 20 30 HHEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464135973 988256889 /nfs/dbraw/zinc/25/68/89/988256889.db2.gz KIQCILOXPRGXEJ-GOSISDBHSA-N 1 1 422.577 3.797 20 30 HHEDMO Cc1nc(C(F)(F)F)sc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000464283397 988404455 /nfs/dbraw/zinc/40/44/55/988404455.db2.gz FEBWYNLNPVNZGO-UHFFFAOYSA-N 1 1 408.449 3.759 20 30 HHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470555098 988568750 /nfs/dbraw/zinc/56/87/50/988568750.db2.gz FWXFKKUJTOUKFU-HDICACEKSA-N 1 1 411.550 3.654 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464571309 988747909 /nfs/dbraw/zinc/74/79/09/988747909.db2.gz OIFOKCAMPXLSPK-UHFFFAOYSA-N 1 1 407.514 3.837 20 30 HHEDMO COc1cc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000464698976 988908088 /nfs/dbraw/zinc/90/80/88/988908088.db2.gz IHLKRIURGPILAF-OAQYLSRUSA-N 1 1 417.431 3.638 20 30 HHEDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000464733060 988953340 /nfs/dbraw/zinc/95/33/40/988953340.db2.gz HZEUUTPSCAQXGG-INIZCTEOSA-N 1 1 406.452 3.824 20 30 HHEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1(C)C ZINC000464810186 989044567 /nfs/dbraw/zinc/04/45/67/989044567.db2.gz DPRPWOCVCUJDNA-XXBNENTESA-N 1 1 412.534 3.692 20 30 HHEDMO CO[C@]1(C)C[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1(C)C ZINC000464810185 989044868 /nfs/dbraw/zinc/04/48/68/989044868.db2.gz DPRPWOCVCUJDNA-WMZHIEFXSA-N 1 1 412.534 3.692 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000464815103 989051019 /nfs/dbraw/zinc/05/10/19/989051019.db2.gz SCOXKAVCTIBIOZ-TYPHKJRUSA-N 1 1 415.331 3.961 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000464815103 989051032 /nfs/dbraw/zinc/05/10/32/989051032.db2.gz SCOXKAVCTIBIOZ-TYPHKJRUSA-N 1 1 415.331 3.961 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470991231 989054914 /nfs/dbraw/zinc/05/49/14/989054914.db2.gz CVGTWKIRQPLGAN-ILWGZMRPSA-N 1 1 420.532 3.525 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464829316 989068295 /nfs/dbraw/zinc/06/82/95/989068295.db2.gz FUIIKFYLDQMHIR-GGAORHGYSA-N 1 1 404.558 3.776 20 30 HHEDMO COc1cccc(NC(=O)CC[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000471008671 989078138 /nfs/dbraw/zinc/07/81/38/989078138.db2.gz QOOQUQMBGXNKKF-OAQYLSRUSA-N 1 1 412.921 3.560 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[N@H+](C)CC23CCCCC3)c1C#N ZINC000471038080 989113000 /nfs/dbraw/zinc/11/30/00/989113000.db2.gz NZTISHKBEITKSL-UHFFFAOYSA-N 1 1 419.573 3.855 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000471187952 989321449 /nfs/dbraw/zinc/32/14/49/989321449.db2.gz TWVKAHITWISRGB-KRWDZBQOSA-N 1 1 420.492 3.646 20 30 HHEDMO N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000471287802 989444349 /nfs/dbraw/zinc/44/43/49/989444349.db2.gz PGELSKIKYMOCGZ-NRFANRHFSA-N 1 1 415.493 3.982 20 30 HHEDMO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000471287873 989445378 /nfs/dbraw/zinc/44/53/78/989445378.db2.gz LNZBICSHVZVQPV-NRFANRHFSA-N 1 1 415.493 3.982 20 30 HHEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465201013 989545662 /nfs/dbraw/zinc/54/56/62/989545662.db2.gz SGNSYLWVFCBXIF-INIZCTEOSA-N 1 1 422.529 3.568 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000471467930 989661607 /nfs/dbraw/zinc/66/16/07/989661607.db2.gz QDIMSWPCLTXEGV-OFNKIYASSA-N 1 1 419.573 3.505 20 30 HHEDMO Cn1cc(C#N)cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471573043 989774735 /nfs/dbraw/zinc/77/47/35/989774735.db2.gz JDGLDIUQAFTFLQ-APWZRJJASA-N 1 1 404.436 3.728 20 30 HHEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000471747088 989941633 /nfs/dbraw/zinc/94/16/33/989941633.db2.gz GKKKXGGHYCCDBL-UNMCSNQZSA-N 1 1 406.917 3.847 20 30 HHEDMO Cc1nn(C)c(N2CC[NH+](Cc3cccc(OCc4ccccc4F)c3)CC2)c1C#N ZINC000471816781 989998333 /nfs/dbraw/zinc/99/83/33/989998333.db2.gz QCCIJDDLUINZMG-UHFFFAOYSA-N 1 1 419.504 3.641 20 30 HHEDMO C[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000465652170 990038558 /nfs/dbraw/zinc/03/85/58/990038558.db2.gz FFDAUKQYDDGFSR-QMMLZNLJSA-N 1 1 408.571 3.976 20 30 HHEDMO C[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000465652170 990038562 /nfs/dbraw/zinc/03/85/62/990038562.db2.gz FFDAUKQYDDGFSR-QMMLZNLJSA-N 1 1 408.571 3.976 20 30 HHEDMO N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000465940311 991078023 /nfs/dbraw/zinc/07/80/23/991078023.db2.gz YOWLMCIIHSZOFM-GOSISDBHSA-N 1 1 420.410 3.790 20 30 HHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000465964493 991111078 /nfs/dbraw/zinc/11/10/78/991111078.db2.gz BWPYSCJMRALIQE-OAQYLSRUSA-N 1 1 422.573 3.604 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000466597871 991914441 /nfs/dbraw/zinc/91/44/41/991914441.db2.gz BMJJBNYOUATIBM-LJQANCHMSA-N 1 1 407.518 3.892 20 30 HHEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467038175 992347344 /nfs/dbraw/zinc/34/73/44/992347344.db2.gz LDFYKVPSBMSLER-CYBMUJFWSA-N 1 1 402.292 3.788 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1Cl ZINC000467208433 992533155 /nfs/dbraw/zinc/53/31/55/992533155.db2.gz SFHIMBJRKNRUMC-QUCCMNQESA-N 1 1 402.970 3.842 20 30 HHEDMO CCOC[C@H]1CCC[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000472233416 993261963 /nfs/dbraw/zinc/26/19/63/993261963.db2.gz PWLFMPWZKNRTNQ-IBGZPJMESA-N 1 1 412.534 3.695 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCCC3(CCOCC3)C2)c1C#N ZINC000472233189 993262108 /nfs/dbraw/zinc/26/21/08/993262108.db2.gz LCXRARJXRFPYQQ-UHFFFAOYSA-N 1 1 424.545 3.839 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472315000 993326966 /nfs/dbraw/zinc/32/69/66/993326966.db2.gz RKQRDZHWMBXVMA-IFMALSPDSA-N 1 1 422.573 3.905 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472459639 993461466 /nfs/dbraw/zinc/46/14/66/993461466.db2.gz OIYPONPNOSPWBY-MJGOQNOKSA-N 1 1 400.592 3.683 20 30 HHEDMO COc1ccnc(N2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)n1 ZINC000472606614 993558690 /nfs/dbraw/zinc/55/86/90/993558690.db2.gz UMPJJSWTDUQSSZ-UHFFFAOYSA-N 1 1 413.525 3.507 20 30 HHEDMO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000480745734 993612832 /nfs/dbraw/zinc/61/28/32/993612832.db2.gz WXKMNNNABJVLIV-QFIPXVFZSA-N 1 1 404.514 3.526 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000472703078 993625605 /nfs/dbraw/zinc/62/56/05/993625605.db2.gz ULSCWKKRFQYHAM-JOCHJYFZSA-N 1 1 406.530 3.731 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)nnc1-c1ccco1 ZINC000480787592 993655434 /nfs/dbraw/zinc/65/54/34/993655434.db2.gz DQZMLZHAWNCKJE-IRXDYDNUSA-N 1 1 417.579 3.585 20 30 HHEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480855793 993727976 /nfs/dbraw/zinc/72/79/76/993727976.db2.gz IVIONZFHAMGODL-VXKWHMMOSA-N 1 1 409.555 3.542 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185179 994016322 /nfs/dbraw/zinc/01/63/22/994016322.db2.gz WDMKSKISEKVRPT-CTUHWIOQSA-N 1 1 402.542 3.554 20 30 HHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185179 994016333 /nfs/dbraw/zinc/01/63/33/994016333.db2.gz WDMKSKISEKVRPT-CTUHWIOQSA-N 1 1 402.542 3.554 20 30 HHEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184755 994016717 /nfs/dbraw/zinc/01/67/17/994016717.db2.gz FLNKXXVDEOVSJW-DPLHUUCSSA-N 1 1 404.558 3.822 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184755 994016723 /nfs/dbraw/zinc/01/67/23/994016723.db2.gz FLNKXXVDEOVSJW-DPLHUUCSSA-N 1 1 404.558 3.822 20 30 HHEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000473164505 994033271 /nfs/dbraw/zinc/03/32/71/994033271.db2.gz VUIGFKKPRLMNEP-UHFFFAOYSA-N 1 1 409.921 3.998 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000481277180 994093481 /nfs/dbraw/zinc/09/34/81/994093481.db2.gz CYSKXLVURJMFCR-CTNGQTDRSA-N 1 1 419.550 3.694 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000481277180 994093491 /nfs/dbraw/zinc/09/34/91/994093491.db2.gz CYSKXLVURJMFCR-CTNGQTDRSA-N 1 1 419.550 3.694 20 30 HHEDMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481425618 994261211 /nfs/dbraw/zinc/26/12/11/994261211.db2.gz PNWKMGCSSWIRIL-ZHRRBRCNSA-N 1 1 423.467 3.713 20 30 HHEDMO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503784 994353111 /nfs/dbraw/zinc/35/31/11/994353111.db2.gz MULMWOPSUVCXTH-NLFFAJNJSA-N 1 1 403.526 3.840 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(C)CC(=O)Nc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000481592357 994438550 /nfs/dbraw/zinc/43/85/50/994438550.db2.gz AHEJBOYAQQQZME-OAQYLSRUSA-N 1 1 421.875 3.922 20 30 HHEDMO C=C(C)[C@H](N[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000481617676 994476998 /nfs/dbraw/zinc/47/69/98/994476998.db2.gz WFMQIUDVTHNFMG-MONBJTKQSA-N 1 1 413.512 3.951 20 30 HHEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000473674275 994563720 /nfs/dbraw/zinc/56/37/20/994563720.db2.gz HPVJWIANSJECRJ-UHFFFAOYSA-N 1 1 421.545 3.888 20 30 HHEDMO N#Cc1ccc([C@H]([NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)C(N)=O)cc1 ZINC000481750363 994603610 /nfs/dbraw/zinc/60/36/10/994603610.db2.gz OBTFONANDYTOIR-ROUUACIJSA-N 1 1 402.267 3.727 20 30 HHEDMO N#Cc1ccc([C@H]([NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)C(N)=O)cc1 ZINC000481750361 994603938 /nfs/dbraw/zinc/60/39/38/994603938.db2.gz OBTFONANDYTOIR-MSOLQXFVSA-N 1 1 402.267 3.727 20 30 HHEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000481834090 994683851 /nfs/dbraw/zinc/68/38/51/994683851.db2.gz BIKZHWSCIUXIHL-IBGZPJMESA-N 1 1 414.347 3.890 20 30 HHEDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)CC2)c1 ZINC000481934528 994807038 /nfs/dbraw/zinc/80/70/38/994807038.db2.gz SKWDWPRPUPLJTI-UHFFFAOYSA-N 1 1 412.493 3.803 20 30 HHEDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)CC2)c1 ZINC000481936234 994809174 /nfs/dbraw/zinc/80/91/74/994809174.db2.gz YODCAJZPJGWLJF-UHFFFAOYSA-N 1 1 412.493 3.803 20 30 HHEDMO COc1cccc([C@H]2[C@H](NC(=O)CSc3ccc(C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000482009342 994914739 /nfs/dbraw/zinc/91/47/39/994914739.db2.gz KGADPWPCQNGYJM-GGAORHGYSA-N 1 1 407.539 3.753 20 30 HHEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000482018385 994929081 /nfs/dbraw/zinc/92/90/81/994929081.db2.gz VMCJSFRREVYLOP-ROUUACIJSA-N 1 1 407.514 3.968 20 30 HHEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000482096955 995040586 /nfs/dbraw/zinc/04/05/86/995040586.db2.gz SMTQMKDTFOQDKV-QZTJIDSGSA-N 1 1 407.514 3.964 20 30 HHEDMO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)c1 ZINC000474605993 995561581 /nfs/dbraw/zinc/56/15/81/995561581.db2.gz LZGPKIJXJDVVGS-HSZRJFAPSA-N 1 1 407.489 3.732 20 30 HHEDMO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC2)c1 ZINC000474605993 995561587 /nfs/dbraw/zinc/56/15/87/995561587.db2.gz LZGPKIJXJDVVGS-HSZRJFAPSA-N 1 1 407.489 3.732 20 30 HHEDMO CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474622047 995571467 /nfs/dbraw/zinc/57/14/67/995571467.db2.gz KWDWELWXCLLLBJ-QGZVFWFLSA-N 1 1 400.429 3.898 20 30 HHEDMO N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000482612564 995610079 /nfs/dbraw/zinc/61/00/79/995610079.db2.gz WLGGZCOIJOCQIY-NZQKXSOJSA-N 1 1 406.505 3.893 20 30 HHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)CC1 ZINC000482653365 995647137 /nfs/dbraw/zinc/64/71/37/995647137.db2.gz XIMFKQSGUQXZPZ-IBGZPJMESA-N 1 1 419.635 3.989 20 30 HHEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000482688363 995680310 /nfs/dbraw/zinc/68/03/10/995680310.db2.gz CSUADZDBICWUAY-UHFFFAOYSA-N 1 1 411.546 3.697 20 30 HHEDMO C=C(C)COCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474805422 995717344 /nfs/dbraw/zinc/71/73/44/995717344.db2.gz TYBVFVCHEUZHTO-IEBWSBKVSA-N 1 1 413.484 3.980 20 30 HHEDMO Cc1cccc(CC2(O)CC[NH+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)c1 ZINC000482947399 995873948 /nfs/dbraw/zinc/87/39/48/995873948.db2.gz NGNYHEKIJGPXNO-UHFFFAOYSA-N 1 1 419.569 3.928 20 30 HHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000482978987 995897253 /nfs/dbraw/zinc/89/72/53/995897253.db2.gz HQCCSWYAZHWCNS-QWRGUYRKSA-N 1 1 419.348 3.944 20 30 HHEDMO C=CCc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000475101389 995922400 /nfs/dbraw/zinc/92/24/00/995922400.db2.gz CNUDMYLYKWEQBQ-JOCHJYFZSA-N 1 1 423.557 3.848 20 30 HHEDMO CO[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000483019148 995922917 /nfs/dbraw/zinc/92/29/17/995922917.db2.gz ULIKJMOITCTKER-QHCPKHFHSA-N 1 1 412.534 3.838 20 30 HHEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000475157394 995958874 /nfs/dbraw/zinc/95/88/74/995958874.db2.gz QDKGLBLMAKLFMA-UHFFFAOYSA-N 1 1 422.529 3.616 20 30 HHEDMO COc1ccc(C[N@H+](CCc2ccccn2)CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000483089155 995966282 /nfs/dbraw/zinc/96/62/82/995966282.db2.gz MSZMUHSICBZZBW-UHFFFAOYSA-N 1 1 420.557 3.820 20 30 HHEDMO COc1ccc(C[N@@H+](CCc2ccccn2)CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000483089155 995966285 /nfs/dbraw/zinc/96/62/85/995966285.db2.gz MSZMUHSICBZZBW-UHFFFAOYSA-N 1 1 420.557 3.820 20 30 HHEDMO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@@H]1CCC(C)(C)C1 ZINC000483125061 995990713 /nfs/dbraw/zinc/99/07/13/995990713.db2.gz RETJACVTQOQBTR-MSOLQXFVSA-N 1 1 412.578 3.867 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](CC2CCC2)[C@@H](C)CO)c1C#N ZINC000483136619 995996301 /nfs/dbraw/zinc/99/63/01/995996301.db2.gz SCLJUARTEARTQS-HNNXBMFYSA-N 1 1 412.509 3.526 20 30 HHEDMO CCN1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H]1c1ncc[nH]1 ZINC000475355489 996086890 /nfs/dbraw/zinc/08/68/90/996086890.db2.gz VTCGACAKIGOFKH-QHCPKHFHSA-N 1 1 401.514 3.739 20 30 HHEDMO COc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000483400940 996152535 /nfs/dbraw/zinc/15/25/35/996152535.db2.gz DMGXIEMWLSEQBJ-KBMIEXCESA-N 1 1 422.525 3.916 20 30 HHEDMO COc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000483400940 996152540 /nfs/dbraw/zinc/15/25/40/996152540.db2.gz DMGXIEMWLSEQBJ-KBMIEXCESA-N 1 1 422.525 3.916 20 30 HHEDMO CN(C(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000483477347 996205491 /nfs/dbraw/zinc/20/54/91/996205491.db2.gz REDJIPHRVMCNOF-DHIUTWEWSA-N 1 1 408.590 3.658 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)CC2(C#N)CCCCC2)cc1 ZINC000475550421 996214810 /nfs/dbraw/zinc/21/48/10/996214810.db2.gz SMEAGVKBIRXKDB-IBGZPJMESA-N 1 1 403.592 3.954 20 30 HHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)ccc1OC ZINC000475619886 996253147 /nfs/dbraw/zinc/25/31/47/996253147.db2.gz DKVJMIKJDGRPFI-HXUWFJFHSA-N 1 1 414.550 3.828 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000475666316 996287675 /nfs/dbraw/zinc/28/76/75/996287675.db2.gz IDAGWUPVLMDLGE-RUZDIDTESA-N 1 1 405.542 3.620 20 30 HHEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000476048952 996566547 /nfs/dbraw/zinc/56/65/47/996566547.db2.gz IFJXPJPJKYJNIH-VQIMIIECSA-N 1 1 402.420 3.785 20 30 HHEDMO C[NH+](C)[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000476223718 996687906 /nfs/dbraw/zinc/68/79/06/996687906.db2.gz RHJBNXCXVTXALF-QGZVFWFLSA-N 1 1 417.497 3.702 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000476432277 996902325 /nfs/dbraw/zinc/90/23/25/996902325.db2.gz RZVHMSGLIUMCRI-KXTWHKPSSA-N 1 1 403.592 3.536 20 30 HHEDMO CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000476468938 996945422 /nfs/dbraw/zinc/94/54/22/996945422.db2.gz FJZWAWOINFIJBK-XZOQPEGZSA-N 1 1 410.606 3.897 20 30 HHEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[C@@H](C)C1 ZINC000476850250 997417560 /nfs/dbraw/zinc/41/75/60/997417560.db2.gz KEGCPRRBMABYOG-HOTGVXAUSA-N 1 1 413.905 3.531 20 30 HHEDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[C@@H](C)C1 ZINC000476850250 997417568 /nfs/dbraw/zinc/41/75/68/997417568.db2.gz KEGCPRRBMABYOG-HOTGVXAUSA-N 1 1 413.905 3.531 20 30 HHEDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000485220646 997594683 /nfs/dbraw/zinc/59/46/83/997594683.db2.gz FUFVBGALMOITBV-NRFANRHFSA-N 1 1 408.498 3.921 20 30 HHEDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000485224928 997598862 /nfs/dbraw/zinc/59/88/62/997598862.db2.gz FUFVBGALMOITBV-OAQYLSRUSA-N 1 1 408.498 3.921 20 30 HHEDMO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485237566 997618667 /nfs/dbraw/zinc/61/86/67/997618667.db2.gz ZWBNPCBZNIDHTM-APTRMMRNSA-N 1 1 402.542 3.554 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1C#N ZINC000477047900 997685790 /nfs/dbraw/zinc/68/57/90/997685790.db2.gz JJDNLRZUSSJEKK-DEOSSOPVSA-N 1 1 424.520 3.936 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@]3(CCCOC3)C2)c1C#N ZINC000477047900 997685800 /nfs/dbraw/zinc/68/58/00/997685800.db2.gz JJDNLRZUSSJEKK-DEOSSOPVSA-N 1 1 424.520 3.936 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H](NCc3ccccc3C[NH+]3CCCCC3)C2=O)cc1 ZINC000485441453 997882891 /nfs/dbraw/zinc/88/28/91/997882891.db2.gz WWQLJBHPQOFTJE-XMMPIXPASA-N 1 1 402.542 3.829 20 30 HHEDMO N#Cc1ccc(-n2nccc2NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000485538343 997993385 /nfs/dbraw/zinc/99/33/85/997993385.db2.gz ALXCOEGTARZJQY-UHFFFAOYSA-N 1 1 405.368 3.515 20 30 HHEDMO COc1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC(F)F ZINC000485705093 998169328 /nfs/dbraw/zinc/16/93/28/998169328.db2.gz AMMGPTVGNNNBSG-GOSISDBHSA-N 1 1 415.440 3.796 20 30 HHEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC(F)F ZINC000485705093 998169358 /nfs/dbraw/zinc/16/93/58/998169358.db2.gz AMMGPTVGNNNBSG-GOSISDBHSA-N 1 1 415.440 3.796 20 30 HHEDMO COc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc2)cc1 ZINC000478043154 998731211 /nfs/dbraw/zinc/73/12/11/998731211.db2.gz TZUHUNQGBYQXIZ-QHCPKHFHSA-N 1 1 424.497 3.859 20 30 HHEDMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000478048773 998735200 /nfs/dbraw/zinc/73/52/00/998735200.db2.gz XBVJIYZRBOFIAG-GOSISDBHSA-N 1 1 406.530 3.525 20 30 HHEDMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000478048773 998735202 /nfs/dbraw/zinc/73/52/02/998735202.db2.gz XBVJIYZRBOFIAG-GOSISDBHSA-N 1 1 406.530 3.525 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000478143472 998783835 /nfs/dbraw/zinc/78/38/35/998783835.db2.gz JOHOCNHXCPQDKE-MSOLQXFVSA-N 1 1 424.570 3.514 20 30 HHEDMO N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000486529275 998809700 /nfs/dbraw/zinc/80/97/00/998809700.db2.gz SKAHAUMNDRNTLS-JOCHJYFZSA-N 1 1 420.532 3.648 20 30 HHEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478333007 998895326 /nfs/dbraw/zinc/89/53/26/998895326.db2.gz AMXJEFPLFMHBRM-QGZVFWFLSA-N 1 1 412.578 3.711 20 30 HHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486821980 998955736 /nfs/dbraw/zinc/95/57/36/998955736.db2.gz NTZGMNMYTMCLAD-DRMXPCRNSA-N 1 1 406.530 3.679 20 30 HHEDMO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000486855655 998975647 /nfs/dbraw/zinc/97/56/47/998975647.db2.gz GACYGQOUXAQGAC-SFHVURJKSA-N 1 1 404.297 3.764 20 30 HHEDMO C=CCN1C(=O)c2ccc(C(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)cc2C1=O ZINC000478639866 999060379 /nfs/dbraw/zinc/06/03/79/999060379.db2.gz PLLHDQBODMSFFK-GOSISDBHSA-N 1 1 423.557 3.585 20 30 HHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000479040860 999261997 /nfs/dbraw/zinc/26/19/97/999261997.db2.gz DFZZAEXTACQRCI-KDURUIRLSA-N 1 1 400.567 3.614 20 30 HHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000479040860 999262003 /nfs/dbraw/zinc/26/20/03/999262003.db2.gz DFZZAEXTACQRCI-KDURUIRLSA-N 1 1 400.567 3.614 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000487970229 999331446 /nfs/dbraw/zinc/33/14/46/999331446.db2.gz RQJPFADOMKTOBT-RDTXWAMCSA-N 1 1 423.355 3.579 20 30 HHEDMO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1-c1cccc(F)c1 ZINC000479237005 999338956 /nfs/dbraw/zinc/33/89/56/999338956.db2.gz BEPCDTUYLWXCCP-UHFFFAOYSA-N 1 1 417.488 3.608 20 30 HHEDMO COc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccc(C)cc43)CC2)cc(OC)c1 ZINC000488120020 999382607 /nfs/dbraw/zinc/38/26/07/999382607.db2.gz DHIXEIQOYFQDID-UHFFFAOYSA-N 1 1 402.498 3.754 20 30 HHEDMO N#Cc1cnc2c(F)cc(F)cc2c1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000488301972 999430840 /nfs/dbraw/zinc/43/08/40/999430840.db2.gz CTVZSGLUZDZNHV-UHFFFAOYSA-N 1 1 421.451 3.900 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000488305531 999432105 /nfs/dbraw/zinc/43/21/05/999432105.db2.gz FEEKTBHFCZQTOE-DLBZAZTESA-N 1 1 402.564 3.655 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1Br ZINC000488470294 999497438 /nfs/dbraw/zinc/49/74/38/999497438.db2.gz VHJNJKDYFCQTGK-DJJJIMSYSA-N 1 1 416.294 3.912 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ncoc3-c3ccccc3)CC2)cc1 ZINC000479735225 999563154 /nfs/dbraw/zinc/56/31/54/999563154.db2.gz NHNYBWGBLRHMEC-UHFFFAOYSA-N 1 1 415.497 3.631 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@H](CO)[C@@H]3C)sc2C1 ZINC000488712484 999584155 /nfs/dbraw/zinc/58/41/55/999584155.db2.gz AREZYXIYMKTBHQ-ARFHVFGLSA-N 1 1 403.592 3.802 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@H](CO)[C@@H]3C)sc2C1 ZINC000488712484 999584156 /nfs/dbraw/zinc/58/41/56/999584156.db2.gz AREZYXIYMKTBHQ-ARFHVFGLSA-N 1 1 403.592 3.802 20 30 HHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC000488823391 999619174 /nfs/dbraw/zinc/61/91/74/999619174.db2.gz XWUAENAIVFONGP-IBGZPJMESA-N 1 1 419.525 3.984 20 30 HHEDMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488920637 999647343 /nfs/dbraw/zinc/64/73/43/999647343.db2.gz RALGUUZQXGWYDX-QFBILLFUSA-N 1 1 401.507 3.543 20 30 HHEDMO Cn1cc(C[NH2+]Cc2cn3cc(Br)ccc3n2)c(-c2ccc(C#N)cc2)n1 ZINC000479977802 999671221 /nfs/dbraw/zinc/67/12/21/999671221.db2.gz IKRDGICIEBCZDP-UHFFFAOYSA-N 1 1 421.302 3.659 20 30 HHEDMO N#Cc1c(C#N)c2c(nc1NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)CCCCCC2 ZINC000480084658 999712928 /nfs/dbraw/zinc/71/29/28/999712928.db2.gz KCYHSGWFWZEIJQ-WOJBJXKFSA-N 1 1 415.541 3.531 20 30 HHEDMO COc1cccc(C([NH2+]CC(=O)NC2(C#N)CCCCC2)c2cccc(OC)c2)c1 ZINC000480340382 999775095 /nfs/dbraw/zinc/77/50/95/999775095.db2.gz 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C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(OC(F)F)cc1OC(F)F ZINC000540178273 1008324515 /nfs/dbraw/zinc/32/45/15/1008324515.db2.gz XKJAIFVWIPLXMT-GZMMTYOYSA-N 1 1 418.309 3.703 20 30 HHEDMO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000540425905 1008428438 /nfs/dbraw/zinc/42/84/38/1008428438.db2.gz MOGBNMXHBZJTOI-LJQANCHMSA-N 1 1 407.848 3.842 20 30 HHEDMO N#CCc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000518826154 1008435689 /nfs/dbraw/zinc/43/56/89/1008435689.db2.gz DLJZOHCYNFFZTC-UHFFFAOYSA-N 1 1 411.937 3.740 20 30 HHEDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c(C)c1 ZINC000540511946 1008462284 /nfs/dbraw/zinc/46/22/84/1008462284.db2.gz FCSZCYIFLULFOY-CTNGQTDRSA-N 1 1 410.587 3.767 20 30 HHEDMO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000542962993 1008535271 /nfs/dbraw/zinc/53/52/71/1008535271.db2.gz WRMCIYBFLXHEHW-CABCVRRESA-N 1 1 400.914 3.639 20 30 HHEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000548956853 1008541096 /nfs/dbraw/zinc/54/10/96/1008541096.db2.gz YTUDUCUSCUAPNG-FQEVSTJZSA-N 1 1 407.543 3.524 20 30 HHEDMO N#Cc1cccc(CNC(=O)C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000543050610 1008631427 /nfs/dbraw/zinc/63/14/27/1008631427.db2.gz KPLUNHDPJXBOEC-JOCHJYFZSA-N 1 1 404.901 3.796 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)sc2C1 ZINC000543182003 1008756003 /nfs/dbraw/zinc/75/60/03/1008756003.db2.gz UBVWLJWYGWRHAS-QXGSTGNESA-N 1 1 415.603 3.802 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)sc2C1 ZINC000543182003 1008756014 /nfs/dbraw/zinc/75/60/14/1008756014.db2.gz UBVWLJWYGWRHAS-QXGSTGNESA-N 1 1 415.603 3.802 20 30 HHEDMO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000543191331 1008764926 /nfs/dbraw/zinc/76/49/26/1008764926.db2.gz AIDKJHANEYJSOH-HNNXBMFYSA-N 1 1 402.539 3.694 20 30 HHEDMO 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CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000520076553 1009237806 /nfs/dbraw/zinc/23/78/06/1009237806.db2.gz SSDIWMMVYYYQAJ-QFIPXVFZSA-N 1 1 418.541 3.597 20 30 HHEDMO N#Cc1cnc2ccccc2c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549622713 1009251098 /nfs/dbraw/zinc/25/10/98/1009251098.db2.gz ZISWSMKGNFJBPE-JOCHJYFZSA-N 1 1 412.537 3.869 20 30 HHEDMO C=CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520194936 1009334998 /nfs/dbraw/zinc/33/49/98/1009334998.db2.gz MELLGQZHASOPBP-MRXNPFEDSA-N 1 1 410.909 3.894 20 30 HHEDMO N#Cc1c(NC(=O)CC[NH2+][C@@H](CO)c2c(F)cccc2F)sc2c1CCCCC2 ZINC000543812596 1009374673 /nfs/dbraw/zinc/37/46/73/1009374673.db2.gz MGFWRLCLSHMRIO-KRWDZBQOSA-N 1 1 419.497 3.819 20 30 HHEDMO C=C[C@H](Cc1nc(-c2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)no1)c1ccccc1 ZINC000546398659 1009410744 /nfs/dbraw/zinc/41/07/44/1009410744.db2.gz QECJSXXEWFWXQG-UTKZUKDTSA-N 1 1 402.498 3.699 20 30 HHEDMO C=C[C@H](Cc1nc(-c2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)no1)c1ccccc1 ZINC000546398659 1009410758 /nfs/dbraw/zinc/41/07/58/1009410758.db2.gz QECJSXXEWFWXQG-UTKZUKDTSA-N 1 1 402.498 3.699 20 30 HHEDMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000543886998 1009462627 /nfs/dbraw/zinc/46/26/27/1009462627.db2.gz ZGDYWXXMFATFMG-UHFFFAOYSA-N 1 1 400.914 3.735 20 30 HHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543890766 1009468935 /nfs/dbraw/zinc/46/89/35/1009468935.db2.gz HKJURYLYGGWTGP-QGZVFWFLSA-N 1 1 400.914 3.783 20 30 HHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543890765 1009469027 /nfs/dbraw/zinc/46/90/27/1009469027.db2.gz HKJURYLYGGWTGP-KRWDZBQOSA-N 1 1 400.914 3.783 20 30 HHEDMO C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000550357269 1009885184 /nfs/dbraw/zinc/88/51/84/1009885184.db2.gz ZESGEBXQIFIEDU-HXUWFJFHSA-N 1 1 401.551 3.518 20 30 HHEDMO COc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 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/nfs/dbraw/zinc/55/24/96/1010552496.db2.gz HVEAKYFUDLZNPL-VXKWHMMOSA-N 1 1 404.554 3.986 20 30 HHEDMO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000551418782 1010575092 /nfs/dbraw/zinc/57/50/92/1010575092.db2.gz QRYPNRMJXLWBSK-UHFFFAOYSA-N 1 1 416.529 3.815 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000521805606 1010632490 /nfs/dbraw/zinc/63/24/90/1010632490.db2.gz MGZFEEQABMJLMQ-ROUUACIJSA-N 1 1 416.591 3.790 20 30 HHEDMO C=CC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521809218 1010634895 /nfs/dbraw/zinc/63/48/95/1010634895.db2.gz YHOPAWVDSJVHHO-LJQANCHMSA-N 1 1 404.518 3.653 20 30 HHEDMO C=CC[N@H+](CC(=O)N(c1ccccc1)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521809218 1010634900 /nfs/dbraw/zinc/63/49/00/1010634900.db2.gz YHOPAWVDSJVHHO-LJQANCHMSA-N 1 1 404.518 3.653 20 30 HHEDMO N#Cc1ccc(Oc2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2)nc1 ZINC000521953019 1010732788 /nfs/dbraw/zinc/73/27/88/1010732788.db2.gz KPDSARPSEKPIIR-UHFFFAOYSA-N 1 1 420.513 3.510 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@@H]1c1cccs1 ZINC000548906530 1010756928 /nfs/dbraw/zinc/75/69/28/1010756928.db2.gz PXWWURRNRILJMO-GHTZIAJQSA-N 1 1 423.586 3.793 20 30 HHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000522205668 1010864787 /nfs/dbraw/zinc/86/47/87/1010864787.db2.gz UJHQHYHQGKEJEJ-ZRZAMGCNSA-N 1 1 415.581 3.717 20 30 HHEDMO COc1ccccc1[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[NH+](C)C ZINC000522598507 1011101713 /nfs/dbraw/zinc/10/17/13/1011101713.db2.gz HGTFECMNIVTWGN-OAQYLSRUSA-N 1 1 419.481 3.772 20 30 HHEDMO CSCC[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nnc2ccccn21 ZINC000540597442 1011252677 /nfs/dbraw/zinc/25/26/77/1011252677.db2.gz OVVZIIMVAHVRDA-NRFANRHFSA-N 1 1 420.586 3.649 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000536184814 1011321791 /nfs/dbraw/zinc/32/17/91/1011321791.db2.gz FMEYJBQWLNAAMP-PBEJRMEISA-N 1 1 422.554 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C=CC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674084 1011833285 /nfs/dbraw/zinc/83/32/85/1011833285.db2.gz NYQQSMVEUNMUKF-OAHLLOKOSA-N 1 1 407.909 3.952 20 30 HHEDMO N#Cc1ccc(C[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C2CC2)cc1 ZINC000541319213 1012029759 /nfs/dbraw/zinc/02/97/59/1012029759.db2.gz VNASEQQKCABZBC-UHFFFAOYSA-N 1 1 402.498 3.678 20 30 HHEDMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000523622564 1012202027 /nfs/dbraw/zinc/20/20/27/1012202027.db2.gz NYUMXLQATQVDEW-HNNXBMFYSA-N 1 1 403.470 3.510 20 30 HHEDMO C=CC[C@H]1N(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1(C)C ZINC000552196495 1012207863 /nfs/dbraw/zinc/20/78/63/1012207863.db2.gz HYGJQNFVWPPUEF-AZUAARDMSA-N 1 1 417.619 3.670 20 30 HHEDMO C=CC[C@H]1N(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1(C)C ZINC000552196498 1012207959 /nfs/dbraw/zinc/20/79/59/1012207959.db2.gz HYGJQNFVWPPUEF-UYAOXDASSA-N 1 1 417.619 3.670 20 30 HHEDMO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C#N)ccc3NC3CC3)cc2F)CC1 ZINC000552245528 1012257448 /nfs/dbraw/zinc/25/74/48/1012257448.db2.gz CELMBRGPAVEFSH-UHFFFAOYSA-N 1 1 407.493 3.666 20 30 HHEDMO C[C@H]([NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)C(=O)N(C)CCC#N ZINC000541639329 1012455585 /nfs/dbraw/zinc/45/55/85/1012455585.db2.gz GSFGTUWISDRJCI-STQMWFEESA-N 1 1 421.364 3.984 20 30 HHEDMO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1cc(F)ccc1F ZINC000537159149 1012557757 /nfs/dbraw/zinc/55/77/57/1012557757.db2.gz FGLXLKURJXRYOR-FQEVSTJZSA-N 1 1 418.488 3.971 20 30 HHEDMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537172387 1012578043 /nfs/dbraw/zinc/57/80/43/1012578043.db2.gz UFNVNJRGIWICMA-IEBWSBKVSA-N 1 1 422.554 3.896 20 30 HHEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537172387 1012578058 /nfs/dbraw/zinc/57/80/58/1012578058.db2.gz UFNVNJRGIWICMA-IEBWSBKVSA-N 1 1 422.554 3.896 20 30 HHEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(C#N)ccc3NC3CC3)cc2)C[C@@H](C)O1 ZINC000552586123 1012591558 /nfs/dbraw/zinc/59/15/58/1012591558.db2.gz YUPGFZWMTRHYEH-IAGOWNOFSA-N 1 1 404.514 3.994 20 30 HHEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000537247801 1012693487 /nfs/dbraw/zinc/69/34/87/1012693487.db2.gz HCDGIMXPDBDAMT-YADHBBJMSA-N 1 1 420.582 3.609 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(NCc3cc4c(cc3OC(F)F)OCO4)CC2)cc1 ZINC000541909399 1012768338 /nfs/dbraw/zinc/76/83/38/1012768338.db2.gz ZXFOKHCTPXJTKV-UHFFFAOYSA-N 1 1 415.440 3.643 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1C#N ZINC000552804372 1012809848 /nfs/dbraw/zinc/80/98/48/1012809848.db2.gz DBGJVMQGRCOYJC-GOSISDBHSA-N 1 1 406.555 3.551 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c1C#N ZINC000552804372 1012809871 /nfs/dbraw/zinc/80/98/71/1012809871.db2.gz DBGJVMQGRCOYJC-GOSISDBHSA-N 1 1 406.555 3.551 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000541949780 1012810803 /nfs/dbraw/zinc/81/08/03/1012810803.db2.gz XZOBNPZICYVEEK-FQEVSTJZSA-N 1 1 419.447 3.892 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](CO)c2cccc(F)c2)c1C#N ZINC000541958153 1012821536 /nfs/dbraw/zinc/82/15/36/1012821536.db2.gz NBHSEKVJZIUBEV-NRFANRHFSA-N 1 1 412.509 3.883 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000524083113 1012850746 /nfs/dbraw/zinc/85/07/46/1012850746.db2.gz YNVDZQXEAWAHFJ-UHFFFAOYSA-N 1 1 421.541 3.561 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@]2(C)CCCO)c1C#N ZINC000537411171 1012893093 /nfs/dbraw/zinc/89/30/93/1012893093.db2.gz KNTFSIMZCNVDKP-HSZRJFAPSA-N 1 1 412.534 3.574 20 30 HHEDMO C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542029047 1012924291 /nfs/dbraw/zinc/92/42/91/1012924291.db2.gz YIPZUTCUYGESDP-DOTOQJQBSA-N 1 1 410.497 3.658 20 30 HHEDMO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@@H+]1CCc2sccc2C1 ZINC000542030835 1012927796 /nfs/dbraw/zinc/92/77/96/1012927796.db2.gz STOIELFEXBXBPG-AWEZNQCLSA-N 1 1 424.505 3.513 20 30 HHEDMO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@H+]1CCc2sccc2C1 ZINC000542030835 1012927803 /nfs/dbraw/zinc/92/78/03/1012927803.db2.gz STOIELFEXBXBPG-AWEZNQCLSA-N 1 1 424.505 3.513 20 30 HHEDMO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4nccc(C#N)c4Cl)CC3)n2)cc1 ZINC000552971278 1012953716 /nfs/dbraw/zinc/95/37/16/1012953716.db2.gz PHUIPENPHJXYCI-UHFFFAOYSA-N 1 1 422.920 3.720 20 30 HHEDMO C=CCSc1ccccc1C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000553047482 1013022710 /nfs/dbraw/zinc/02/27/10/1013022710.db2.gz MRWSQVYPXJHFAV-JOCHJYFZSA-N 1 1 421.610 3.997 20 30 HHEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542094082 1013023275 /nfs/dbraw/zinc/02/32/75/1013023275.db2.gz KDEHZZARRLOGPJ-ZWKOTPCHSA-N 1 1 407.917 3.830 20 30 HHEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542094082 1013023288 /nfs/dbraw/zinc/02/32/88/1013023288.db2.gz KDEHZZARRLOGPJ-ZWKOTPCHSA-N 1 1 407.917 3.830 20 30 HHEDMO Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000542096428 1013026956 /nfs/dbraw/zinc/02/69/56/1013026956.db2.gz VBJZYAOCJPTJHT-XLIONFOSSA-N 1 1 418.900 3.920 20 30 HHEDMO Cc1onc(CC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000542096428 1013026972 /nfs/dbraw/zinc/02/69/72/1013026972.db2.gz VBJZYAOCJPTJHT-XLIONFOSSA-N 1 1 418.900 3.920 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000729808390 1072124357 /nfs/dbraw/zinc/12/43/57/1072124357.db2.gz AZCFNUFVQTXXGD-OCCSQVGLSA-N 1 1 400.700 3.511 20 30 HHEDMO C=CCn1c2ccccc2n(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1=S ZINC000760286840 1072174873 /nfs/dbraw/zinc/17/48/73/1072174873.db2.gz QWMJWNAAQSKMFZ-UHFFFAOYSA-N 1 1 413.635 3.806 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C[C@@H](O)c3cccc(Br)c3)CC2)cc1 ZINC000913116773 1072332874 /nfs/dbraw/zinc/33/28/74/1072332874.db2.gz JKBKGACVWCYVJY-OAQYLSRUSA-N 1 1 414.347 3.562 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000586875425 1072498791 /nfs/dbraw/zinc/49/87/91/1072498791.db2.gz QGIKOGCEZZBMHH-GOTSBHOMSA-N 1 1 414.509 3.767 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1C#N ZINC000613178906 1072633507 /nfs/dbraw/zinc/63/35/07/1072633507.db2.gz GZAFOVJTMQUWIR-FQEVSTJZSA-N 1 1 405.546 3.990 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1C#N ZINC000613178906 1072633515 /nfs/dbraw/zinc/63/35/15/1072633515.db2.gz GZAFOVJTMQUWIR-FQEVSTJZSA-N 1 1 405.546 3.990 20 30 HHEDMO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(Br)cc3C#N)CC2)C[C@H](C)O1 ZINC000588200406 1072904908 /nfs/dbraw/zinc/90/49/08/1072904908.db2.gz OVEAPKGHWKYBRB-IYBDPMFKSA-N 1 1 406.368 3.642 20 30 HHEDMO C=CCCCN(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000554883327 1072935315 /nfs/dbraw/zinc/93/53/15/1072935315.db2.gz CEFBCFWBVFWQIC-VCYXJBJXSA-N 1 1 417.981 3.795 20 30 HHEDMO C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000555251082 1073280483 /nfs/dbraw/zinc/28/04/83/1073280483.db2.gz XYZYUICLOAENMW-BGYRXZFFSA-N 1 1 400.615 3.507 20 30 HHEDMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000588980790 1073369707 /nfs/dbraw/zinc/36/97/07/1073369707.db2.gz GCLLQCJITRQUNY-UHFFFAOYSA-N 1 1 401.894 3.697 20 30 HHEDMO N#Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2n1 ZINC000590145511 1073585937 /nfs/dbraw/zinc/58/59/37/1073585937.db2.gz CHVUXQZALWDQFX-NRFANRHFSA-N 1 1 412.537 3.869 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccnc(Cc4ccc(F)cc4)n3)CC2)cc1 ZINC000590572991 1073922675 /nfs/dbraw/zinc/92/26/75/1073922675.db2.gz UKWAJSWITXTSSO-UHFFFAOYSA-N 1 1 401.489 3.790 20 30 HHEDMO C=CCN(CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)Cc1ccc(OC)cc1 ZINC000555876392 1073923564 /nfs/dbraw/zinc/92/35/64/1073923564.db2.gz JBCSSKKNUNYTSK-UHFFFAOYSA-N 1 1 421.585 3.726 20 30 HHEDMO C=C(C)Cn1c(COCC)nnc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000573127217 1074214218 /nfs/dbraw/zinc/21/42/18/1074214218.db2.gz WGSUMMCQOYLWIR-KRWDZBQOSA-N 1 1 403.958 3.927 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000760898163 1074614405 /nfs/dbraw/zinc/61/44/05/1074614405.db2.gz GMCHJTUZWMNWHS-HNNXBMFYSA-N 1 1 417.575 3.691 20 30 HHEDMO C=CCc1ccc(OCC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c(OC)c1 ZINC000592428218 1074757073 /nfs/dbraw/zinc/75/70/73/1074757073.db2.gz QJXQNTRQQAXGBG-SFHVURJKSA-N 1 1 410.514 3.834 20 30 HHEDMO N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000574089522 1075162381 /nfs/dbraw/zinc/16/23/81/1075162381.db2.gz NCMLCTVYJWMMHX-GOSISDBHSA-N 1 1 424.932 3.569 20 30 HHEDMO C=CC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213366 1075544536 /nfs/dbraw/zinc/54/45/36/1075544536.db2.gz DXHMFIWMVLUUOY-KRWDZBQOSA-N 1 1 401.474 3.770 20 30 HHEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213366 1075544539 /nfs/dbraw/zinc/54/45/39/1075544539.db2.gz DXHMFIWMVLUUOY-KRWDZBQOSA-N 1 1 401.474 3.770 20 30 HHEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(CC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213401 1075544857 /nfs/dbraw/zinc/54/48/57/1075544857.db2.gz KISSOSOXQURLDG-RTBURBONSA-N 1 1 418.545 3.651 20 30 HHEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(CC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213401 1075544860 /nfs/dbraw/zinc/54/48/60/1075544860.db2.gz KISSOSOXQURLDG-RTBURBONSA-N 1 1 418.545 3.651 20 30 HHEDMO C=CC[N@H+](CCC(=O)NCc1ccccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596337699 1075554767 /nfs/dbraw/zinc/55/47/67/1075554767.db2.gz LHTGDHOQZGIAOD-KRWDZBQOSA-N 1 1 424.936 3.571 20 30 HHEDMO Cc1csc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)n1 ZINC000328603162 569416946 /nfs/dbraw/zinc/41/69/46/569416946.db2.gz FGIPLUIDDMJDKK-FOIQADDNSA-N 1 1 410.503 3.538 20 30 HHEDMO Cc1csc(NC(=O)C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)n1 ZINC000328603162 569416947 /nfs/dbraw/zinc/41/69/47/569416947.db2.gz FGIPLUIDDMJDKK-FOIQADDNSA-N 1 1 410.503 3.538 20 30 HHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628415 719069366 /nfs/dbraw/zinc/06/93/66/719069366.db2.gz RPWRDASOSHNTJU-XLIONFOSSA-N 1 1 424.932 3.884 20 30 HHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1C#N)CC2 ZINC001164712548 720132697 /nfs/dbraw/zinc/13/26/97/720132697.db2.gz NKQPLYQEJRJRBL-FQEVSTJZSA-N 1 1 411.937 3.509 20 30 HHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3c(cc1C#N)CCCC3(C)C)C2 ZINC001164810290 720200228 /nfs/dbraw/zinc/20/02/28/720200228.db2.gz BGVLQZKFKVBCKY-OFVILXPXSA-N 1 1 408.590 3.752 20 30 HHEDMO N#C[C@H](c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nn1)c1ccccc1F ZINC001164723968 720404618 /nfs/dbraw/zinc/40/46/18/720404618.db2.gz IIPODJCCRVCVJE-VJBMBRPKSA-N 1 1 414.488 3.519 20 30 HHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)c(Cl)cc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836703 720544726 /nfs/dbraw/zinc/54/47/26/720544726.db2.gz KSMDHTNWJXSPEQ-SOLBZPMBSA-N 1 1 419.360 3.834 20 30 HHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3ccc(C#N)cc31)CC2 ZINC001164840955 720672068 /nfs/dbraw/zinc/67/20/68/720672068.db2.gz OHJSLQDILHXFPK-NRFANRHFSA-N 1 1 413.525 3.761 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)[C@@H]2C ZINC001164861279 720966156 /nfs/dbraw/zinc/96/61/56/720966156.db2.gz SGLVYYIBXISKSS-CYBMUJFWSA-N 1 1 408.884 3.769 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)cc1C#N)[C@H]2C ZINC001164856283 720987494 /nfs/dbraw/zinc/98/74/94/720987494.db2.gz AOXGUKGALYCWJC-ZDUSSCGKSA-N 1 1 408.884 3.769 20 30 HHEDMO N#Cc1ccc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164964833 722054772 /nfs/dbraw/zinc/05/47/72/722054772.db2.gz YFGVKUDTMGCUDZ-UHFFFAOYSA-N 1 1 413.525 3.620 20 30 HHEDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000301267858 970842513 /nfs/dbraw/zinc/84/25/13/970842513.db2.gz GYUKMPAHPAEMHA-HNNXBMFYSA-N 1 1 409.440 3.986 20 30 HHEDMO Cc1nc(C[NH+]2CCC(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)oc1C ZINC000301385456 970900497 /nfs/dbraw/zinc/90/04/97/970900497.db2.gz CDRPBKODSBCZRE-UHFFFAOYSA-N 1 1 420.473 3.944 20 30 HHEDMO C=C(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)CC1 ZINC000301520783 970965313 /nfs/dbraw/zinc/96/53/13/970965313.db2.gz NDODAGDRKNGFRD-UHFFFAOYSA-N 1 1 422.501 3.613 20 30 HHEDMO Cc1ccccc1C[NH+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000302812899 971331509 /nfs/dbraw/zinc/33/15/09/971331509.db2.gz OKCCEHYBTCYBIM-UHFFFAOYSA-N 1 1 400.526 3.864 20 30 HHEDMO N#Cc1cc(Br)ccc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000302888847 971373100 /nfs/dbraw/zinc/37/31/00/971373100.db2.gz ORTRJYMCGKCPTK-LJQANCHMSA-N 1 1 400.320 3.890 20 30 HHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000303095400 971500510 /nfs/dbraw/zinc/50/05/10/971500510.db2.gz FMQCAGRRYJHYFT-KRWDZBQOSA-N 1 1 405.433 3.565 20 30 HHEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000303095400 971500519 /nfs/dbraw/zinc/50/05/19/971500519.db2.gz FMQCAGRRYJHYFT-KRWDZBQOSA-N 1 1 405.433 3.565 20 30 HHEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000303600699 971891022 /nfs/dbraw/zinc/89/10/22/971891022.db2.gz VABWQHAPOCFUCQ-KDURUIRLSA-N 1 1 421.541 3.755 20 30 HHEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000303600699 971891026 /nfs/dbraw/zinc/89/10/26/971891026.db2.gz VABWQHAPOCFUCQ-KDURUIRLSA-N 1 1 421.541 3.755 20 30 HHEDMO COc1ccc(CNC(=[NH2+])NC[C@H](c2cccs2)N2CCC(C)CC2)cc1OC ZINC000303793128 972031572 /nfs/dbraw/zinc/03/15/72/972031572.db2.gz ZDOHCURCZKZVDK-GOSISDBHSA-N 1 1 416.591 3.643 20 30 HHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629208 1013181303 /nfs/dbraw/zinc/18/13/03/1013181303.db2.gz ZULRRWSECHHIHX-MRXNPFEDSA-N 1 1 403.465 3.941 20 30 HHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630335 1013184397 /nfs/dbraw/zinc/18/43/97/1013184397.db2.gz QAHRYNXSVLEDPQ-MRXNPFEDSA-N 1 1 403.465 3.941 20 30 HHEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000537631967 1013185597 /nfs/dbraw/zinc/18/55/97/1013185597.db2.gz IEPGQRHCJYOBEL-GOTSBHOMSA-N 1 1 412.555 3.925 20 30 HHEDMO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000537631967 1013185602 /nfs/dbraw/zinc/18/56/02/1013185602.db2.gz IEPGQRHCJYOBEL-GOTSBHOMSA-N 1 1 412.555 3.925 20 30 HHEDMO COc1ccc(NC(=[NH2+])NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1Cl ZINC000303890852 972430608 /nfs/dbraw/zinc/43/06/08/972430608.db2.gz MTMKLKAFEVQDPX-HZPDHXFCSA-N 1 1 416.953 3.885 20 30 HHEDMO CC(C)[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000542322584 1013277642 /nfs/dbraw/zinc/27/76/42/1013277642.db2.gz LQKVZIZUDQOFIN-VWLOTQADSA-N 1 1 419.525 3.807 20 30 HHEDMO CC(C)[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000542322584 1013277649 /nfs/dbraw/zinc/27/76/49/1013277649.db2.gz LQKVZIZUDQOFIN-VWLOTQADSA-N 1 1 419.525 3.807 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1COc2ccccc2O1 ZINC000011225193 962035814 /nfs/dbraw/zinc/03/58/14/962035814.db2.gz OFICHEISRYWQHL-OAHLLOKOSA-N 1 1 411.527 3.599 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000542425613 1013377890 /nfs/dbraw/zinc/37/78/90/1013377890.db2.gz TXYIDHJKFHXIHL-OALUTQOASA-N 1 1 422.529 3.710 20 30 HHEDMO C[N@@H+](CCc1cccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1)C1CC1 ZINC000553464328 1013375505 /nfs/dbraw/zinc/37/55/05/1013375505.db2.gz HIDJFKUXZDSJBE-LJQANCHMSA-N 1 1 406.505 3.799 20 30 HHEDMO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000553537800 1013434207 /nfs/dbraw/zinc/43/42/07/1013434207.db2.gz SJGUKRPSIXOMBE-QDSKXPNFSA-N 1 1 419.569 3.979 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000023019237 963753896 /nfs/dbraw/zinc/75/38/96/963753896.db2.gz NCXXSOGUTRLXTM-UHFFFAOYSA-N 1 1 421.589 3.814 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2nnc3ccccn32)C(C)C)c1C ZINC000542543090 1013488146 /nfs/dbraw/zinc/48/81/46/1013488146.db2.gz CSNQLPYWYGUNEV-JOCHJYFZSA-N 1 1 404.518 3.580 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000051054726 964453998 /nfs/dbraw/zinc/45/39/98/964453998.db2.gz LASWVPBNTJRFDO-QZTJIDSGSA-N 1 1 403.592 3.920 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000051054726 964454005 /nfs/dbraw/zinc/45/40/05/964454005.db2.gz LASWVPBNTJRFDO-QZTJIDSGSA-N 1 1 403.592 3.920 20 30 HHEDMO N#Cc1ccccc1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027001921 964746798 /nfs/dbraw/zinc/74/67/98/964746798.db2.gz XGTFJBIEOUWCHB-UHFFFAOYSA-N 1 1 411.505 3.871 20 30 HHEDMO CCCCN(C)C(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000052187309 964836423 /nfs/dbraw/zinc/83/64/23/964836423.db2.gz GHGDLRZJMUOSOA-UHFFFAOYSA-N 1 1 412.578 3.521 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573527 964921623 /nfs/dbraw/zinc/92/16/23/964921623.db2.gz DUCJKADHJUQIRU-NVXWUHKLSA-N 1 1 410.905 3.889 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573527 964921626 /nfs/dbraw/zinc/92/16/26/964921626.db2.gz DUCJKADHJUQIRU-NVXWUHKLSA-N 1 1 410.905 3.889 20 30 HHEDMO Cc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000052747212 964975500 /nfs/dbraw/zinc/97/55/00/964975500.db2.gz MEKSFFGNMKXQEA-FQEVSTJZSA-N 1 1 418.541 3.525 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3nc4ccccc4o3)CC2)cc1 ZINC000053721053 965254670 /nfs/dbraw/zinc/25/46/70/965254670.db2.gz MESHYWZMUFGVGW-UHFFFAOYSA-N 1 1 406.511 3.526 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3nc4ccccc4o3)CC2)cc1 ZINC000053721053 965254677 /nfs/dbraw/zinc/25/46/77/965254677.db2.gz MESHYWZMUFGVGW-UHFFFAOYSA-N 1 1 406.511 3.526 20 30 HHEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000029227466 965312534 /nfs/dbraw/zinc/31/25/34/965312534.db2.gz NTLXDYLFNLRPLH-UHFFFAOYSA-N 1 1 415.497 3.728 20 30 HHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000054392891 965500900 /nfs/dbraw/zinc/50/09/00/965500900.db2.gz DMEAWFIYPRWHGU-KRWDZBQOSA-N 1 1 419.504 3.989 20 30 HHEDMO N#Cc1ccc(NCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000058019674 965597870 /nfs/dbraw/zinc/59/78/70/965597870.db2.gz XDEHFQNKRSGXCT-UHFFFAOYSA-N 1 1 410.521 3.904 20 30 HHEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000030532211 965720824 /nfs/dbraw/zinc/72/08/24/965720824.db2.gz MGSPKHVYTPHMEK-HNNXBMFYSA-N 1 1 424.303 3.566 20 30 HHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000055083226 965750361 /nfs/dbraw/zinc/75/03/61/965750361.db2.gz FMKIQJHBMGFJPL-JOCHJYFZSA-N 1 1 418.541 3.735 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1COc2ccccc2O1 ZINC000058490597 965752690 /nfs/dbraw/zinc/75/26/90/965752690.db2.gz GBSMQTAXXGEOFU-HNNXBMFYSA-N 1 1 411.527 3.599 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000059850192 966035950 /nfs/dbraw/zinc/03/59/50/966035950.db2.gz ZXBNVTMUMHQBKH-GOSISDBHSA-N 1 1 406.555 3.947 20 30 HHEDMO C=CCc1ccc(OCC(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000032446389 966257101 /nfs/dbraw/zinc/25/71/01/966257101.db2.gz GPVKQCJOWKVSLL-QFIPXVFZSA-N 1 1 408.542 3.756 20 30 HHEDMO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000032833443 966333856 /nfs/dbraw/zinc/33/38/56/966333856.db2.gz CERYAPWMBYJLRX-MBSDFSHPSA-N 1 1 416.525 3.501 20 30 HHEDMO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000032833443 966333860 /nfs/dbraw/zinc/33/38/60/966333860.db2.gz CERYAPWMBYJLRX-MBSDFSHPSA-N 1 1 416.525 3.501 20 30 HHEDMO CCC[N@@H+](CC(=O)N(CC)Cc1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000061001744 966348218 /nfs/dbraw/zinc/34/82/18/966348218.db2.gz XKMZBEAEIFFPQX-UHFFFAOYSA-N 1 1 407.514 3.590 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(-c4csnn4)cc3)CC2)cc1 ZINC000056787270 966462972 /nfs/dbraw/zinc/46/29/72/966462972.db2.gz NHGJXIHTUOFCRA-UHFFFAOYSA-N 1 1 418.526 3.817 20 30 HHEDMO CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056802143 966469497 /nfs/dbraw/zinc/46/94/97/966469497.db2.gz WSDGENVKQAOJNO-UHFFFAOYSA-N 1 1 403.486 3.568 20 30 HHEDMO CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056802143 966469501 /nfs/dbraw/zinc/46/95/01/966469501.db2.gz WSDGENVKQAOJNO-UHFFFAOYSA-N 1 1 403.486 3.568 20 30 HHEDMO CSc1cccc(F)c1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000553892092 1013679465 /nfs/dbraw/zinc/67/94/65/1013679465.db2.gz LIMBDANZZIHUNE-UHFFFAOYSA-N 1 1 412.534 3.837 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000063402400 966844724 /nfs/dbraw/zinc/84/47/24/966844724.db2.gz VQJZHBQZYMPJKS-SFHVURJKSA-N 1 1 408.502 3.739 20 30 HHEDMO COCC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc(C#N)cc1 ZINC000063753968 966947691 /nfs/dbraw/zinc/94/76/91/966947691.db2.gz HDPUSQCKINSBQH-UHFFFAOYSA-N 1 1 401.894 3.697 20 30 HHEDMO C=CCc1cc(CNC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000065284032 967427789 /nfs/dbraw/zinc/42/77/89/967427789.db2.gz RDJQWKMSEHKRNK-SFHVURJKSA-N 1 1 423.557 3.678 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3cccc4cccnc43)CC2)cc1 ZINC000045411342 967453800 /nfs/dbraw/zinc/45/38/00/967453800.db2.gz XRTVGSKZKPTCDF-UHFFFAOYSA-N 1 1 413.525 3.566 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000045787380 967552519 /nfs/dbraw/zinc/55/25/19/967552519.db2.gz TVNLKKACPYXKFK-KDURUIRLSA-N 1 1 406.530 3.509 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000045804670 967556863 /nfs/dbraw/zinc/55/68/63/967556863.db2.gz WKXVBBXOVKMCOQ-HOTGVXAUSA-N 1 1 416.953 3.509 20 30 HHEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000047127943 968062215 /nfs/dbraw/zinc/06/22/15/968062215.db2.gz JRIXHNIAVPBWSZ-OALUTQOASA-N 1 1 406.530 3.509 20 30 HHEDMO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048121957 968439682 /nfs/dbraw/zinc/43/96/82/968439682.db2.gz CFHDZRKTFATDHX-JPYJTQIMSA-N 1 1 416.525 3.501 20 30 HHEDMO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048121957 968439691 /nfs/dbraw/zinc/43/96/91/968439691.db2.gz CFHDZRKTFATDHX-JPYJTQIMSA-N 1 1 416.525 3.501 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCOCCc3ccccc3)CC2)cc1 ZINC000048346088 968525876 /nfs/dbraw/zinc/52/58/76/968525876.db2.gz IAYQHDWTHWPAMP-UHFFFAOYSA-N 1 1 405.542 3.632 20 30 HHEDMO CCC(=O)Nc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048393607 968540495 /nfs/dbraw/zinc/54/04/95/968540495.db2.gz KOTHSIJPJJHOES-UHFFFAOYSA-N 1 1 405.502 3.647 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3nc(-c4ccccc4)ns3)CC2)cc1 ZINC000065772718 968634983 /nfs/dbraw/zinc/63/49/83/968634983.db2.gz KZPQJOQCIRXXTM-UHFFFAOYSA-N 1 1 418.526 3.817 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nc(-c4ccccc4)ns3)CC2)cc1 ZINC000065772718 968634989 /nfs/dbraw/zinc/63/49/89/968634989.db2.gz KZPQJOQCIRXXTM-UHFFFAOYSA-N 1 1 418.526 3.817 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1C ZINC000065964286 968739796 /nfs/dbraw/zinc/73/97/96/968739796.db2.gz PJQNQTCHTNRYOG-UHFFFAOYSA-N 1 1 424.589 3.711 20 30 HHEDMO C=C(C)CN(CC)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096953973 969062163 /nfs/dbraw/zinc/06/21/63/969062163.db2.gz NUKJNMWGXQAYCP-UHFFFAOYSA-N 1 1 406.574 3.845 20 30 HHEDMO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000109013570 969448869 /nfs/dbraw/zinc/44/88/69/969448869.db2.gz KUSKZLGZCHETGG-UHFFFAOYSA-N 1 1 402.473 3.994 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110004912 969608879 /nfs/dbraw/zinc/60/88/79/969608879.db2.gz QPLRPXHLUBGHFI-YJBOKZPZSA-N 1 1 419.460 3.954 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110004912 969608882 /nfs/dbraw/zinc/60/88/82/969608882.db2.gz QPLRPXHLUBGHFI-YJBOKZPZSA-N 1 1 419.460 3.954 20 30 HHEDMO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000110291007 969648967 /nfs/dbraw/zinc/64/89/67/969648967.db2.gz FNUVTWIZPJEFLP-UHFFFAOYSA-N 1 1 424.589 3.688 20 30 HHEDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000110989006 969754665 /nfs/dbraw/zinc/75/46/65/969754665.db2.gz XBLFBXSKHZZCBK-FSTGKYBXSA-N 1 1 411.590 3.740 20 30 HHEDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000112543910 969814958 /nfs/dbraw/zinc/81/49/58/969814958.db2.gz IITGCUGECQHXPA-SFHVURJKSA-N 1 1 424.545 3.974 20 30 HHEDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000112543910 969814967 /nfs/dbraw/zinc/81/49/67/969814967.db2.gz IITGCUGECQHXPA-SFHVURJKSA-N 1 1 424.545 3.974 20 30 HHEDMO CN1c2ccccc2N(C)C1=C1C(=O)CN(C[C@H]2CCCO[C@@H]2c2ccccc2)C1=[NH2+] ZINC000146270293 970285477 /nfs/dbraw/zinc/28/54/77/970285477.db2.gz VQCBMXQXTQIVRG-WZONZLPQSA-N 1 1 416.525 3.814 20 30 HHEDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000554745501 1014036757 /nfs/dbraw/zinc/03/67/57/1014036757.db2.gz KKZLQKCWGBMELP-OAHLLOKOSA-N 1 1 407.430 3.726 20 30 HHEDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000554745501 1014036763 /nfs/dbraw/zinc/03/67/63/1014036763.db2.gz KKZLQKCWGBMELP-OAHLLOKOSA-N 1 1 407.430 3.726 20 30 HHEDMO COc1ccc(NC(=[NH2+])NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1OC ZINC000305710283 972613421 /nfs/dbraw/zinc/61/34/21/972613421.db2.gz XIIBTPKWQXIODP-JLTOFOAXSA-N 1 1 420.916 3.916 20 30 HHEDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379703628 972772024 /nfs/dbraw/zinc/77/20/24/972772024.db2.gz FYXSSCKRLLLQIA-QAPCUYQASA-N 1 1 403.935 3.543 20 30 HHEDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000379704691 972772463 /nfs/dbraw/zinc/77/24/63/972772463.db2.gz KBGLQDZSRNQAMW-QAPCUYQASA-N 1 1 403.935 3.543 20 30 HHEDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379704726 972773489 /nfs/dbraw/zinc/77/34/89/972773489.db2.gz KIHWVTTXWVLBLW-QAPCUYQASA-N 1 1 403.935 3.543 20 30 HHEDMO CC(C)[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)[N@H+]1CCc2ccccc2C1 ZINC000409579493 973028207 /nfs/dbraw/zinc/02/82/07/973028207.db2.gz GHTTWNSSZUNQCJ-DEOSSOPVSA-N 1 1 413.525 3.557 20 30 HHEDMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000409581028 973030618 /nfs/dbraw/zinc/03/06/18/973030618.db2.gz PRLUIBFAKWMKIE-UHFFFAOYSA-N 1 1 420.416 3.550 20 30 HHEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)C1 ZINC000409766310 973242460 /nfs/dbraw/zinc/24/24/60/973242460.db2.gz DNMSAPWWSOWRHE-SFHVURJKSA-N 1 1 415.497 3.717 20 30 HHEDMO N#CC1(CCC[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCOCC1 ZINC000410310315 973852784 /nfs/dbraw/zinc/85/27/84/973852784.db2.gz IWJFIWCNVKJUHI-UHFFFAOYSA-N 1 1 409.452 3.564 20 30 HHEDMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000410392817 973990775 /nfs/dbraw/zinc/99/07/75/973990775.db2.gz QTEOSKZENBSZLM-KRWDZBQOSA-N 1 1 403.489 3.600 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1-c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000426450300 974457402 /nfs/dbraw/zinc/45/74/02/974457402.db2.gz LVLQHFDDZYDWAL-UHFFFAOYSA-N 1 1 416.510 3.945 20 30 HHEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000426789090 974660750 /nfs/dbraw/zinc/66/07/50/974660750.db2.gz ROZUTEPMQHYQIQ-QGZVFWFLSA-N 1 1 402.947 3.924 20 30 HHEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CC#Cc2ccc(Cl)cc2)C(C)C)cc1 ZINC000426999724 974811813 /nfs/dbraw/zinc/81/18/13/974811813.db2.gz LZOGEWOLQJHCII-QFIPXVFZSA-N 1 1 414.933 3.800 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+](CC)C[C@H](O)C(F)(F)F)cc1OC ZINC000428398420 975718562 /nfs/dbraw/zinc/71/85/62/975718562.db2.gz ICVFXOFPCFLICR-AWEZNQCLSA-N 1 1 412.246 3.768 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)C[C@H](O)C(F)(F)F)cc1OC ZINC000428398420 975718570 /nfs/dbraw/zinc/71/85/70/975718570.db2.gz ICVFXOFPCFLICR-AWEZNQCLSA-N 1 1 412.246 3.768 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)nc1 ZINC000428779889 976054152 /nfs/dbraw/zinc/05/41/52/976054152.db2.gz LYJIUMVQVBEHPL-GGAORHGYSA-N 1 1 416.456 3.925 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)nc1 ZINC000428779889 976054164 /nfs/dbraw/zinc/05/41/64/976054164.db2.gz LYJIUMVQVBEHPL-GGAORHGYSA-N 1 1 416.456 3.925 20 30 HHEDMO Cc1cc(N2CCC(NC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)nc(C)[nH+]1 ZINC000428871654 976161360 /nfs/dbraw/zinc/16/13/60/976161360.db2.gz LGWPKXAWVYQSHZ-UHFFFAOYSA-N 1 1 418.423 3.774 20 30 HHEDMO N#CCC[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000428963125 976251287 /nfs/dbraw/zinc/25/12/87/976251287.db2.gz CBYNAJORJONLNJ-GOTSBHOMSA-N 1 1 406.530 3.622 20 30 HHEDMO N#CCC[C@H](NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000428971223 976259166 /nfs/dbraw/zinc/25/91/66/976259166.db2.gz VNDIHIKTZLBRNU-YADHBBJMSA-N 1 1 408.571 3.948 20 30 HHEDMO N#CCC[C@H](NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000428971223 976259184 /nfs/dbraw/zinc/25/91/84/976259184.db2.gz VNDIHIKTZLBRNU-YADHBBJMSA-N 1 1 408.571 3.948 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428996052 976277480 /nfs/dbraw/zinc/27/74/80/976277480.db2.gz BEGUIJHDMVAMCI-FTEYMNFISA-N 1 1 400.592 3.539 20 30 HHEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)sc2C1 ZINC000429082652 976368603 /nfs/dbraw/zinc/36/86/03/976368603.db2.gz WEZMCOLYEUSKCB-UHFFFAOYSA-N 1 1 420.542 3.939 20 30 HHEDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)sc2C1 ZINC000429082652 976368609 /nfs/dbraw/zinc/36/86/09/976368609.db2.gz WEZMCOLYEUSKCB-UHFFFAOYSA-N 1 1 420.542 3.939 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429084975 976370733 /nfs/dbraw/zinc/37/07/33/976370733.db2.gz PHUBYMPQFFJAAT-AUSIDOKSSA-N 1 1 413.525 3.714 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1C#N ZINC000429362066 976630036 /nfs/dbraw/zinc/63/00/36/976630036.db2.gz ADUOIJYNHPSJMH-KRWDZBQOSA-N 1 1 411.594 3.836 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000429462330 976734733 /nfs/dbraw/zinc/73/47/33/976734733.db2.gz QGXDERMDQMAVOU-DEOSSOPVSA-N 1 1 409.530 3.742 20 30 HHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429651078 976945137 /nfs/dbraw/zinc/94/51/37/976945137.db2.gz HNEIFCYETVNBKE-SVFBPWRDSA-N 1 1 405.546 3.941 20 30 HHEDMO C=CCn1c(=O)c2ccccc2nc1SC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000430118132 977327609 /nfs/dbraw/zinc/32/76/09/977327609.db2.gz GDHPDUDMSQINGU-HXUWFJFHSA-N 1 1 421.566 3.966 20 30 HHEDMO CN(C(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1)c1ccccc1 ZINC000430357234 977499604 /nfs/dbraw/zinc/49/96/04/977499604.db2.gz VYNHPJACVNHOCW-GOSISDBHSA-N 1 1 424.932 3.572 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000430861994 977820801 /nfs/dbraw/zinc/82/08/01/977820801.db2.gz CKLKPLWNKKGICC-UNMCSNQZSA-N 1 1 405.546 3.637 20 30 HHEDMO C=CCN1C(=O)N(C[C@H](C)[N@@H+]2CCc3sccc3C2)C(=O)[C@H]1Cc1ccccc1 ZINC000430940701 977902804 /nfs/dbraw/zinc/90/28/04/977902804.db2.gz QMDPPUMLACQOIV-FXAWDEMLSA-N 1 1 409.555 3.556 20 30 HHEDMO C=CCN1C(=O)N(C[C@H](C)[N@H+]2CCc3sccc3C2)C(=O)[C@H]1Cc1ccccc1 ZINC000430940701 977902812 /nfs/dbraw/zinc/90/28/12/977902812.db2.gz QMDPPUMLACQOIV-FXAWDEMLSA-N 1 1 409.555 3.556 20 30 HHEDMO C=CCN1C(=O)N(C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431071403 978002693 /nfs/dbraw/zinc/00/26/93/978002693.db2.gz PHEPFJZLISAPQV-ZEQRLZLVSA-N 1 1 417.553 3.613 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431388029 978262231 /nfs/dbraw/zinc/26/22/31/978262231.db2.gz LCTGXFORYRBPPQ-UGKGYDQZSA-N 1 1 421.541 3.749 20 30 HHEDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCCO1 ZINC000432582423 978900195 /nfs/dbraw/zinc/90/01/95/978900195.db2.gz VICSEUCVFSKZDN-SFHVURJKSA-N 1 1 409.555 3.940 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCCSC1 ZINC000433190961 979131567 /nfs/dbraw/zinc/13/15/67/979131567.db2.gz YJIHVFIUIALSDH-SJORKVTESA-N 1 1 407.605 3.863 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H]1CCCSC1 ZINC000433190961 979131573 /nfs/dbraw/zinc/13/15/73/979131573.db2.gz YJIHVFIUIALSDH-SJORKVTESA-N 1 1 407.605 3.863 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](CCO)[C@@H]2CCCSC2)c1C#N ZINC000433202260 979137877 /nfs/dbraw/zinc/13/78/77/979137877.db2.gz ZUEVKWHAFVENJO-LJQANCHMSA-N 1 1 418.607 3.610 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](CCO)[C@@H]2CCCSC2)c1C#N ZINC000433202260 979137881 /nfs/dbraw/zinc/13/78/81/979137881.db2.gz ZUEVKWHAFVENJO-LJQANCHMSA-N 1 1 418.607 3.610 20 30 HHEDMO C[N@H+](Cc1ccccc1)CC1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434842750 980438921 /nfs/dbraw/zinc/43/89/21/980438921.db2.gz LWFHNAPCLFWNOD-OAQYLSRUSA-N 1 1 408.571 3.569 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866871 980457612 /nfs/dbraw/zinc/45/76/12/980457612.db2.gz FAYZTZDBKUJYJK-KGVIQGDOSA-N 1 1 422.598 3.993 20 30 HHEDMO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000434984483 980549206 /nfs/dbraw/zinc/54/92/06/980549206.db2.gz XXINNFBFELSZIZ-FQEVSTJZSA-N 1 1 419.481 3.610 20 30 HHEDMO CC[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000434985524 980550150 /nfs/dbraw/zinc/55/01/50/980550150.db2.gz BDLFIZGWVAGZDH-DEOSSOPVSA-N 1 1 414.557 3.955 20 30 HHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434988640 980552577 /nfs/dbraw/zinc/55/25/77/980552577.db2.gz VCDIWZVGBVJOPW-SFHVURJKSA-N 1 1 406.559 3.799 20 30 HHEDMO N#CCCn1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000435131718 980662195 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ZINC000444543448 986732627 /nfs/dbraw/zinc/73/26/27/986732627.db2.gz FHXGICKSICTAAL-KRWDZBQOSA-N 1 1 409.555 3.627 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444649525 986833183 /nfs/dbraw/zinc/83/31/83/986833183.db2.gz KPTHJCAOWKZSKO-NRFANRHFSA-N 1 1 422.536 3.759 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444649525 986833190 /nfs/dbraw/zinc/83/31/90/986833190.db2.gz KPTHJCAOWKZSKO-NRFANRHFSA-N 1 1 422.536 3.759 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000469120508 986838682 /nfs/dbraw/zinc/83/86/82/986838682.db2.gz ZNBBEGZUCKKVID-LJQANCHMSA-N 1 1 413.525 3.922 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000469120508 986838700 /nfs/dbraw/zinc/83/87/00/986838700.db2.gz ZNBBEGZUCKKVID-LJQANCHMSA-N 1 1 413.525 3.922 20 30 HHEDMO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cc1 ZINC000444681290 986862175 /nfs/dbraw/zinc/86/21/75/986862175.db2.gz UHLKBMOJOYDQRO-FQEVSTJZSA-N 1 1 400.320 3.840 20 30 HHEDMO Cn1ccnc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000444794718 986950614 /nfs/dbraw/zinc/95/06/14/986950614.db2.gz KNIHNYLARDUJBR-MRXNPFEDSA-N 1 1 411.575 3.830 20 30 HHEDMO CC(C)[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)COc1ccccc1 ZINC000444811905 986965776 /nfs/dbraw/zinc/96/57/76/986965776.db2.gz JHLLILIBENPTMT-GOSISDBHSA-N 1 1 403.320 3.971 20 30 HHEDMO CC(C)[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)COc1ccccc1 ZINC000444811905 986965782 /nfs/dbraw/zinc/96/57/82/986965782.db2.gz JHLLILIBENPTMT-GOSISDBHSA-N 1 1 403.320 3.971 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[N@H+]1CC(C)(C)O ZINC000444831503 986988653 /nfs/dbraw/zinc/98/86/53/986988653.db2.gz ZQIJLGJIMPYECD-QGZVFWFLSA-N 1 1 408.502 3.659 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000469322519 987032273 /nfs/dbraw/zinc/03/22/73/987032273.db2.gz QJNDADGTZXGPFV-GOSISDBHSA-N 1 1 408.571 3.938 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000469716079 987369730 /nfs/dbraw/zinc/36/97/30/987369730.db2.gz BYDQZKGHIPYBBX-GDBMZVCRSA-N 1 1 413.909 3.520 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000469716079 987369733 /nfs/dbraw/zinc/36/97/33/987369733.db2.gz BYDQZKGHIPYBBX-GDBMZVCRSA-N 1 1 413.909 3.520 20 30 HHEDMO N#CCCN(C(=O)CCC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21)c1ccccc1 ZINC000445808521 987868402 /nfs/dbraw/zinc/86/84/02/987868402.db2.gz BBSGGKBBXTWIBW-JOCHJYFZSA-N 1 1 416.525 3.725 20 30 HHEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)[C@H](C)c3cccc(C#N)c3)CC2)c1C ZINC000463945606 988056096 /nfs/dbraw/zinc/05/60/96/988056096.db2.gz NOKCGHCFUFMZGZ-GOSISDBHSA-N 1 1 420.557 3.805 20 30 HHEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000464108244 988229088 /nfs/dbraw/zinc/22/90/88/988229088.db2.gz CEBQWNZMRNLDBW-OAQYLSRUSA-N 1 1 421.541 3.682 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1Cl ZINC000470365884 988329927 /nfs/dbraw/zinc/32/99/27/988329927.db2.gz AVJNAEXIMUVHHB-MRXNPFEDSA-N 1 1 405.926 3.559 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1Cl ZINC000470365884 988329942 /nfs/dbraw/zinc/32/99/42/988329942.db2.gz AVJNAEXIMUVHHB-MRXNPFEDSA-N 1 1 405.926 3.559 20 30 HHEDMO C[N@@H+](CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)Cc1ccccc1 ZINC000470537831 988542799 /nfs/dbraw/zinc/54/27/99/988542799.db2.gz MTBCOWNAZGRCGM-UHFFFAOYSA-N 1 1 419.529 3.523 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1 ZINC000464491837 988663087 /nfs/dbraw/zinc/66/30/87/988663087.db2.gz FZPLDLGMCQRATO-NHCUHLMSSA-N 1 1 413.562 3.992 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1 ZINC000464491837 988663091 /nfs/dbraw/zinc/66/30/91/988663091.db2.gz FZPLDLGMCQRATO-NHCUHLMSSA-N 1 1 413.562 3.992 20 30 HHEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000464557136 988735235 /nfs/dbraw/zinc/73/52/35/988735235.db2.gz UVPFHVLTSOJTKB-FQEVSTJZSA-N 1 1 407.562 3.885 20 30 HHEDMO N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)ccc21 ZINC000470844359 988922808 /nfs/dbraw/zinc/92/28/08/988922808.db2.gz LHDJVDMRASNDBI-IBGZPJMESA-N 1 1 408.546 3.863 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464753998 988975537 /nfs/dbraw/zinc/97/55/37/988975537.db2.gz COGVMPOVASMYEP-SFHVURJKSA-N 1 1 417.538 3.797 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464753998 988975544 /nfs/dbraw/zinc/97/55/44/988975544.db2.gz COGVMPOVASMYEP-SFHVURJKSA-N 1 1 417.538 3.797 20 30 HHEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1(C)C ZINC000464810184 989044200 /nfs/dbraw/zinc/04/42/00/989044200.db2.gz DPRPWOCVCUJDNA-CVDCTZTESA-N 1 1 412.534 3.692 20 30 HHEDMO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000471006961 989075202 /nfs/dbraw/zinc/07/52/02/989075202.db2.gz OWLWKFCGXKKDHD-FQEVSTJZSA-N 1 1 400.885 3.690 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843021 989090549 /nfs/dbraw/zinc/09/05/49/989090549.db2.gz ORVVJEUXIADMOQ-IRLDBZIGSA-N 1 1 422.548 3.915 20 30 HHEDMO CCC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000471030854 989102517 /nfs/dbraw/zinc/10/25/17/989102517.db2.gz VUAWJSGHAGILBU-QGZVFWFLSA-N 1 1 402.608 3.881 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000464856776 989110489 /nfs/dbraw/zinc/11/04/89/989110489.db2.gz JJOCJGAVDQBRHY-FQEVSTJZSA-N 1 1 413.525 3.665 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000464856776 989110499 /nfs/dbraw/zinc/11/04/99/989110499.db2.gz JJOCJGAVDQBRHY-FQEVSTJZSA-N 1 1 413.525 3.665 20 30 HHEDMO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000471057269 989139714 /nfs/dbraw/zinc/13/97/14/989139714.db2.gz PKYATSZKGCCQIT-CTUHWIOQSA-N 1 1 400.526 3.657 20 30 HHEDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471087348 989182323 /nfs/dbraw/zinc/18/23/23/989182323.db2.gz SYICMCNEAODACS-KNKQGSTJSA-N 1 1 424.907 3.842 20 30 HHEDMO CCC[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000471095539 989190797 /nfs/dbraw/zinc/19/07/97/989190797.db2.gz NKVGTSVKGGVSJG-BJKOFHAPSA-N 1 1 400.526 3.754 20 30 HHEDMO N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)nc1 ZINC000471275454 989426729 /nfs/dbraw/zinc/42/67/29/989426729.db2.gz AJZFJKTXDRWYDC-NRFANRHFSA-N 1 1 412.493 3.997 20 30 HHEDMO N#Cc1ccc(OC(F)F)c(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471278642 989431191 /nfs/dbraw/zinc/43/11/91/989431191.db2.gz UOUBPCKJFPMCRI-HDICACEKSA-N 1 1 412.440 3.755 20 30 HHEDMO CC[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471563419 989764354 /nfs/dbraw/zinc/76/43/54/989764354.db2.gz OGAANEYYUMDMOT-NHCUHLMSSA-N 1 1 423.561 3.916 20 30 HHEDMO CC[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471563419 989764358 /nfs/dbraw/zinc/76/43/58/989764358.db2.gz OGAANEYYUMDMOT-NHCUHLMSSA-N 1 1 423.561 3.916 20 30 HHEDMO COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[NH+](C)C ZINC000465424551 989768574 /nfs/dbraw/zinc/76/85/74/989768574.db2.gz ULHYQGRMZKMTGU-VSKRKVRLSA-N 1 1 406.530 3.779 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471747991 989943615 /nfs/dbraw/zinc/94/36/15/989943615.db2.gz GVVDPLICGQGHBM-YADARESESA-N 1 1 400.526 3.789 20 30 HHEDMO Cc1nn(C)c(N2CC[NH+](Cc3c(OC(C)C)ccc4ccccc43)CC2)c1C#N ZINC000471802719 989986437 /nfs/dbraw/zinc/98/64/37/989986437.db2.gz CLDITJWLLONZJF-UHFFFAOYSA-N 1 1 403.530 3.863 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000465630068 990016293 /nfs/dbraw/zinc/01/62/93/990016293.db2.gz BTZDHTMSLQEWNU-RPWUZVMVSA-N 1 1 418.541 3.500 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H]1c1ccccc1 ZINC000471956796 990121286 /nfs/dbraw/zinc/12/12/86/990121286.db2.gz GDULFOCPFIJWEI-RXVVDRJESA-N 1 1 420.904 3.964 20 30 HHEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000465965524 991112501 /nfs/dbraw/zinc/11/25/01/991112501.db2.gz DXZJEGDFIGEKGY-NRFANRHFSA-N 1 1 419.573 3.689 20 30 HHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000465970900 991122156 /nfs/dbraw/zinc/12/21/56/991122156.db2.gz VZKMXDTWDWTIGC-FQEVSTJZSA-N 1 1 410.537 3.734 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467046127 992355057 /nfs/dbraw/zinc/35/50/57/992355057.db2.gz MVWUXWCOEMZBKZ-NQIIRXRSSA-N 1 1 407.514 3.505 20 30 HHEDMO COC[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000467121249 992435020 /nfs/dbraw/zinc/43/50/20/992435020.db2.gz VXIOWJLBILHDLE-OAQYLSRUSA-N 1 1 408.546 3.712 20 30 HHEDMO CC(C)C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000467165530 992483565 /nfs/dbraw/zinc/48/35/65/992483565.db2.gz MTYAXHKHRMMHPS-OALUTQOASA-N 1 1 412.578 3.724 20 30 HHEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 ZINC000467212437 992536627 /nfs/dbraw/zinc/53/66/27/992536627.db2.gz XGVKJTULQDKKSR-QRVBRYPASA-N 1 1 400.592 3.966 20 30 HHEDMO COC[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000467296246 992622080 /nfs/dbraw/zinc/62/20/80/992622080.db2.gz AUIPDKAPMPPTRL-SFHVURJKSA-N 1 1 412.509 3.792 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472391688 993386971 /nfs/dbraw/zinc/38/69/71/993386971.db2.gz XYDBJYDRSAMLIF-OAQYLSRUSA-N 1 1 408.502 3.815 20 30 HHEDMO C=CC[N@H+](CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)CC1CCCCC1 ZINC000472736373 993664994 /nfs/dbraw/zinc/66/49/94/993664994.db2.gz YZXNQLXFOWRIIA-UHFFFAOYSA-N 1 1 412.513 3.686 20 30 HHEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480839369 993714347 /nfs/dbraw/zinc/71/43/47/993714347.db2.gz DVUPEJXHYAEYMD-FCHUYYIVSA-N 1 1 409.555 3.542 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(Br)c1 ZINC000481074455 993913839 /nfs/dbraw/zinc/91/38/39/993913839.db2.gz MUICYSNWXADSTI-QGZVFWFLSA-N 1 1 412.331 3.963 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(Br)c1 ZINC000481074455 993913850 /nfs/dbraw/zinc/91/38/50/993913850.db2.gz MUICYSNWXADSTI-QGZVFWFLSA-N 1 1 412.331 3.963 20 30 HHEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169848 994001616 /nfs/dbraw/zinc/00/16/16/994001616.db2.gz JDRRPDFRWUGIIY-SKPFHBQLSA-N 1 1 422.548 3.961 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169848 994001629 /nfs/dbraw/zinc/00/16/29/994001629.db2.gz JDRRPDFRWUGIIY-SKPFHBQLSA-N 1 1 422.548 3.961 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000473304906 994162599 /nfs/dbraw/zinc/16/25/99/994162599.db2.gz JTWNTBOWJHJZOR-KRWDZBQOSA-N 1 1 406.555 3.804 20 30 HHEDMO C[C@H]1[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCN1c1ccccc1 ZINC000473386905 994241961 /nfs/dbraw/zinc/24/19/61/994241961.db2.gz HRNPYRLDJSPODL-GBXCKJPGSA-N 1 1 402.542 3.508 20 30 HHEDMO C[C@H]1[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCN1c1ccccc1 ZINC000473386905 994241972 /nfs/dbraw/zinc/24/19/72/994241972.db2.gz HRNPYRLDJSPODL-GBXCKJPGSA-N 1 1 402.542 3.508 20 30 HHEDMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481422194 994256847 /nfs/dbraw/zinc/25/68/47/994256847.db2.gz SJULFBXAHPYROZ-BNSGKJFUSA-N 1 1 411.525 3.558 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1C ZINC000473448569 994295877 /nfs/dbraw/zinc/29/58/77/994295877.db2.gz FXNVJNILFNJWGN-UHFFFAOYSA-N 1 1 423.532 3.759 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000481568656 994404613 /nfs/dbraw/zinc/40/46/13/994404613.db2.gz KOYSKWVGCZMVBY-QHCPKHFHSA-N 1 1 415.484 3.643 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)Cc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481584013 994426110 /nfs/dbraw/zinc/42/61/10/994426110.db2.gz XWHFYJKXFLTJMZ-QFIPXVFZSA-N 1 1 404.457 3.847 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1 ZINC000481602564 994452459 /nfs/dbraw/zinc/45/24/59/994452459.db2.gz WTBJSVHAJINLIO-IRLDBZIGSA-N 1 1 404.432 3.911 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(F)c(F)c1 ZINC000481609253 994462187 /nfs/dbraw/zinc/46/21/87/994462187.db2.gz YCWKOFZWZIYLFT-PXARDIRTSA-N 1 1 402.441 3.516 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)c1ccc(F)c(F)c1 ZINC000481612334 994469290 /nfs/dbraw/zinc/46/92/90/994469290.db2.gz GSNHXLRXSWSZGN-OAQYLSRUSA-N 1 1 405.514 3.578 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481621157 994482843 /nfs/dbraw/zinc/48/28/43/994482843.db2.gz DCXQPPXHOVVOKO-IVZQSRNASA-N 1 1 418.484 3.936 20 30 HHEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1 ZINC000473983429 994970047 /nfs/dbraw/zinc/97/00/47/994970047.db2.gz MHDUONVXXMRHNH-OAQYLSRUSA-N 1 1 419.525 3.679 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474503691 995463836 /nfs/dbraw/zinc/46/38/36/995463836.db2.gz XRZIAYPEQBKDKK-QHCPKHFHSA-N 1 1 409.505 3.727 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474503691 995463839 /nfs/dbraw/zinc/46/38/39/995463839.db2.gz XRZIAYPEQBKDKK-QHCPKHFHSA-N 1 1 409.505 3.727 20 30 HHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000482635922 995629934 /nfs/dbraw/zinc/62/99/34/995629934.db2.gz VCGMXGCSEFFJQO-LJQANCHMSA-N 1 1 405.608 3.552 20 30 HHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000474815306 995722437 /nfs/dbraw/zinc/72/24/37/995722437.db2.gz FDCVAPSSZOILJN-UHFFFAOYSA-N 1 1 420.557 3.805 20 30 HHEDMO COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000482779218 995743419 /nfs/dbraw/zinc/74/34/19/995743419.db2.gz VJWOQEWTKDHHPE-DHIUTWEWSA-N 1 1 419.525 3.818 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1Cl ZINC000482892388 995822622 /nfs/dbraw/zinc/82/26/22/995822622.db2.gz GBTSTOJNLPDCBX-QGZVFWFLSA-N 1 1 424.932 3.682 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000482907228 995836592 /nfs/dbraw/zinc/83/65/92/995836592.db2.gz UDZCZFDWYRMRFJ-IAGOWNOFSA-N 1 1 424.932 3.681 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000482907228 995836597 /nfs/dbraw/zinc/83/65/97/995836597.db2.gz UDZCZFDWYRMRFJ-IAGOWNOFSA-N 1 1 424.932 3.681 20 30 HHEDMO N#Cc1csc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000475006079 995862909 /nfs/dbraw/zinc/86/29/09/995862909.db2.gz JCXHIICXJWBDOC-UHFFFAOYSA-N 1 1 404.333 3.777 20 30 HHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000482962031 995884265 /nfs/dbraw/zinc/88/42/65/995884265.db2.gz OAIFLVLWEZMUNG-KBPBESRZSA-N 1 1 419.298 3.969 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCN(c3ccnc4cc(Br)cnc43)CC2)cc1 ZINC000475047066 995889895 /nfs/dbraw/zinc/88/98/95/995889895.db2.gz ONOZNJQDTPNHGC-UHFFFAOYSA-N 1 1 408.303 3.586 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1ccc(C#N)cc1 ZINC000475058004 995895681 /nfs/dbraw/zinc/89/56/81/995895681.db2.gz MCNZGUBMHKFHHS-WZONZLPQSA-N 1 1 405.546 3.704 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1ccc(C#N)cc1 ZINC000475058004 995895687 /nfs/dbraw/zinc/89/56/87/995895687.db2.gz MCNZGUBMHKFHHS-WZONZLPQSA-N 1 1 405.546 3.704 20 30 HHEDMO CN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475140642 995949054 /nfs/dbraw/zinc/94/90/54/995949054.db2.gz SXXNCFQSEHBJMH-NRFANRHFSA-N 1 1 415.459 3.973 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000483587270 996268438 /nfs/dbraw/zinc/26/84/38/996268438.db2.gz BZZIHMUSPNGDSH-IFMALSPDSA-N 1 1 405.546 3.637 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000475666317 996287809 /nfs/dbraw/zinc/28/78/09/996287809.db2.gz IDAGWUPVLMDLGE-VWLOTQADSA-N 1 1 405.542 3.620 20 30 HHEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000475799406 996378421 /nfs/dbraw/zinc/37/84/21/996378421.db2.gz UHMVIPQSJAWXFZ-UHFFFAOYSA-N 1 1 409.349 3.531 20 30 HHEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000483894257 996453808 /nfs/dbraw/zinc/45/38/08/996453808.db2.gz GAAPUYBYFJZISQ-MJGOQNOKSA-N 1 1 418.904 3.935 20 30 HHEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000483894257 996453810 /nfs/dbraw/zinc/45/38/10/996453810.db2.gz GAAPUYBYFJZISQ-MJGOQNOKSA-N 1 1 418.904 3.935 20 30 HHEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000483894254 996453888 /nfs/dbraw/zinc/45/38/88/996453888.db2.gz GAAPUYBYFJZISQ-IEBWSBKVSA-N 1 1 418.904 3.935 20 30 HHEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000483894254 996453892 /nfs/dbraw/zinc/45/38/92/996453892.db2.gz GAAPUYBYFJZISQ-IEBWSBKVSA-N 1 1 418.904 3.935 20 30 HHEDMO CN(C(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000476136282 996625766 /nfs/dbraw/zinc/62/57/66/996625766.db2.gz FMYGQUICJJPTJR-JTHBVZDNSA-N 1 1 418.541 3.879 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000476236950 996696618 /nfs/dbraw/zinc/69/66/18/996696618.db2.gz LDPQXXNINRJGIS-QFIPXVFZSA-N 1 1 409.530 3.920 20 30 HHEDMO C[C@@H]1C[C@@H](CCNS(=O)(=O)CC2(C#N)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000476424788 996892648 /nfs/dbraw/zinc/89/26/48/996892648.db2.gz HOVKDDWOWARFKD-TZIWHRDSSA-N 1 1 403.592 3.681 20 30 HHEDMO C=CC[N@H+](Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)CC1CCCCC1 ZINC000484671329 997010615 /nfs/dbraw/zinc/01/06/15/997010615.db2.gz RJXDNJJCCBQABJ-UHFFFAOYSA-N 1 1 418.607 3.875 20 30 HHEDMO COCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1sccc1Br ZINC000484932774 997309209 /nfs/dbraw/zinc/30/92/09/997309209.db2.gz FYUKMHOBQYPFEQ-UHFFFAOYSA-N 1 1 422.348 3.859 20 30 HHEDMO COCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1sccc1Br ZINC000484932774 997309215 /nfs/dbraw/zinc/30/92/15/997309215.db2.gz FYUKMHOBQYPFEQ-UHFFFAOYSA-N 1 1 422.348 3.859 20 30 HHEDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000484994021 997356385 /nfs/dbraw/zinc/35/63/85/997356385.db2.gz JFFVBBWDZKRATE-IIBYNOLFSA-N 1 1 403.486 3.511 20 30 HHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CC=C)[C@H](C)c2cccc(-n3cnnn3)c2)c1C ZINC000485065959 997432238 /nfs/dbraw/zinc/43/22/38/997432238.db2.gz QZHNWMYDZFTZDU-GOSISDBHSA-N 1 1 404.518 3.699 20 30 HHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CC=C)[C@H](C)c2cccc(-n3cnnn3)c2)c1C ZINC000485065959 997432243 /nfs/dbraw/zinc/43/22/43/997432243.db2.gz QZHNWMYDZFTZDU-GOSISDBHSA-N 1 1 404.518 3.699 20 30 HHEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000485287957 997686875 /nfs/dbraw/zinc/68/68/75/997686875.db2.gz OFWCAYNGCREJRK-UHFFFAOYSA-N 1 1 412.465 3.693 20 30 HHEDMO Cc1oc(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485330552 997744387 /nfs/dbraw/zinc/74/43/87/997744387.db2.gz LYFSHYHRGKSAKF-UNMCSNQZSA-N 1 1 406.530 3.693 20 30 HHEDMO Cc1oc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485330551 997744486 /nfs/dbraw/zinc/74/44/86/997744486.db2.gz LYFSHYHRGKSAKF-RBBKRZOGSA-N 1 1 406.530 3.693 20 30 HHEDMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000477151623 997811912 /nfs/dbraw/zinc/81/19/12/997811912.db2.gz NTOXSWVGULPOFA-OAQYLSRUSA-N 1 1 424.497 3.507 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000485729612 998201516 /nfs/dbraw/zinc/20/15/16/998201516.db2.gz FDJRVNYSMHHNLX-ZDUSSCGKSA-N 1 1 413.356 3.758 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000485729612 998201520 /nfs/dbraw/zinc/20/15/20/998201520.db2.gz FDJRVNYSMHHNLX-ZDUSSCGKSA-N 1 1 413.356 3.758 20 30 HHEDMO Cc1ccc(Br)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000477502879 998224618 /nfs/dbraw/zinc/22/46/18/998224618.db2.gz SXRCSBVVADSEDN-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO Cc1ccc(Br)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000477502879 998224634 /nfs/dbraw/zinc/22/46/34/998224634.db2.gz SXRCSBVVADSEDN-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC000477541193 998259632 /nfs/dbraw/zinc/25/96/32/998259632.db2.gz ZFPVDORAUMEXPQ-UHFFFAOYSA-N 1 1 405.498 3.738 20 30 HHEDMO CCN(C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1)CC(F)(F)F ZINC000477725095 998454148 /nfs/dbraw/zinc/45/41/48/998454148.db2.gz NQUZTELDGPAMET-MSOLQXFVSA-N 1 1 410.484 3.528 20 30 HHEDMO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000477756531 998503454 /nfs/dbraw/zinc/50/34/54/998503454.db2.gz WMRCEYVVZMHLKL-LJQANCHMSA-N 1 1 417.513 3.756 20 30 HHEDMO CCN(C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1)CC(F)(F)F ZINC000477760690 998508021 /nfs/dbraw/zinc/50/80/21/998508021.db2.gz NNILYRBXLVOSSX-KGLIPLIRSA-N 1 1 416.875 3.745 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CCCO)Cc2ccccc2)c1C#N ZINC000486810073 998950383 /nfs/dbraw/zinc/95/03/83/998950383.db2.gz HHQDBAFDCOHTSN-UHFFFAOYSA-N 1 1 408.546 3.915 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCCO)Cc2ccccc2)c1C#N ZINC000486810073 998950385 /nfs/dbraw/zinc/95/03/85/998950385.db2.gz HHQDBAFDCOHTSN-UHFFFAOYSA-N 1 1 408.546 3.915 20 30 HHEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000486863850 998979950 /nfs/dbraw/zinc/97/99/50/998979950.db2.gz DTXYXRUEVUAIKB-NRFANRHFSA-N 1 1 416.437 3.617 20 30 HHEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Br)ccc3Cl)C2=O)cc1 ZINC000486893556 998995183 /nfs/dbraw/zinc/99/51/83/998995183.db2.gz DYPBLDCSFFAADI-GOSISDBHSA-N 1 1 418.722 3.865 20 30 HHEDMO CCOc1c(Cl)cccc1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000478737216 999115531 /nfs/dbraw/zinc/11/55/31/999115531.db2.gz FPTCIBUAKXNREA-UHFFFAOYSA-N 1 1 411.933 3.887 20 30 HHEDMO Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)c1C ZINC000487399206 999160695 /nfs/dbraw/zinc/16/06/95/999160695.db2.gz RLEQKXNVQOPGEE-UHFFFAOYSA-N 1 1 404.558 3.861 20 30 HHEDMO C=C(C)[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000478921297 999209474 /nfs/dbraw/zinc/20/94/74/999209474.db2.gz JDJULUKRKQMVNU-AUSIDOKSSA-N 1 1 400.469 3.989 20 30 HHEDMO C=C(C)[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000478921297 999209477 /nfs/dbraw/zinc/20/94/77/999209477.db2.gz JDJULUKRKQMVNU-AUSIDOKSSA-N 1 1 400.469 3.989 20 30 HHEDMO COc1cccc([C@H]2[C@@H](NC(=O)N(C)Cc3cccc(C#N)c3)CC[N@H+]2C2CC2)c1 ZINC000488308241 999433324 /nfs/dbraw/zinc/43/33/24/999433324.db2.gz UKPVRJJUBKPQQN-GOTSBHOMSA-N 1 1 404.514 3.686 20 30 HHEDMO C=CCC[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000488364114 999458304 /nfs/dbraw/zinc/45/83/04/999458304.db2.gz GXODVOGKIHSCMD-BJKOFHAPSA-N 1 1 419.569 3.750 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@H](CO)[C@H]3C)sc2C1 ZINC000488712486 999584638 /nfs/dbraw/zinc/58/46/38/999584638.db2.gz AREZYXIYMKTBHQ-BZUAXINKSA-N 1 1 403.592 3.802 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@H](CO)[C@H]3C)sc2C1 ZINC000488712486 999584641 /nfs/dbraw/zinc/58/46/41/999584641.db2.gz AREZYXIYMKTBHQ-BZUAXINKSA-N 1 1 403.592 3.802 20 30 HHEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000488877364 999634288 /nfs/dbraw/zinc/63/42/88/999634288.db2.gz ZCOUVCSXBCUHRL-KRWDZBQOSA-N 1 1 423.488 3.815 20 30 HHEDMO N#Cc1c(C#N)c2c(nc1NCc1ccccc1C[NH+]1CCOCC1)CCCCCC2 ZINC000479901800 999642051 /nfs/dbraw/zinc/64/20/51/999642051.db2.gz JUIQMHBPPLMNMZ-UHFFFAOYSA-N 1 1 415.541 3.928 20 30 HHEDMO COc1ccc(C[N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1C ZINC000489174616 999716752 /nfs/dbraw/zinc/71/67/52/999716752.db2.gz AGAYCBVKPMWSEB-UHFFFAOYSA-N 1 1 404.432 3.622 20 30 HHEDMO COc1ccc(C[N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1C ZINC000489174616 999716754 /nfs/dbraw/zinc/71/67/54/999716754.db2.gz AGAYCBVKPMWSEB-UHFFFAOYSA-N 1 1 404.432 3.622 20 30 HHEDMO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccc(C#N)cc1 ZINC000480195943 999741966 /nfs/dbraw/zinc/74/19/66/999741966.db2.gz OUNSEXJCFPQCJI-PXAZEXFGSA-N 1 1 405.317 3.890 20 30 HHEDMO COCC[N@@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@@H]1CCO[C@@H]1C ZINC000489409402 999760846 /nfs/dbraw/zinc/76/08/46/999760846.db2.gz GLPAABLSDZLSTN-XMSQKQJNSA-N 1 1 410.514 3.772 20 30 HHEDMO C=CCCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000489443898 999768586 /nfs/dbraw/zinc/76/85/86/999768586.db2.gz XBJOPNFBRCZDEN-FUHWJXTLSA-N 1 1 404.498 3.974 20 30 HHEDMO COc1cccc(C([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2cccc(OC)c2)c1 ZINC000480342530 999775680 /nfs/dbraw/zinc/77/56/80/999775680.db2.gz HFWSMNVIONWGNI-UHFFFAOYSA-N 1 1 401.466 3.893 20 30 HHEDMO C=CCC[C@H](C(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000489597014 999799653 /nfs/dbraw/zinc/79/96/53/999799653.db2.gz WEIFWWGJDLBNRA-HFMPRLQTSA-N 1 1 414.590 3.853 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490021147 999879100 /nfs/dbraw/zinc/87/91/00/999879100.db2.gz BBEUOEZCYKFXQN-SJORKVTESA-N 1 1 400.592 3.932 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000490021147 999879103 /nfs/dbraw/zinc/87/91/03/999879103.db2.gz BBEUOEZCYKFXQN-SJORKVTESA-N 1 1 400.592 3.932 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000490032306 999881610 /nfs/dbraw/zinc/88/16/10/999881610.db2.gz KOLIZLWBSCLLFZ-NRFANRHFSA-N 1 1 406.530 3.908 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000490032306 999881611 /nfs/dbraw/zinc/88/16/11/999881611.db2.gz KOLIZLWBSCLLFZ-NRFANRHFSA-N 1 1 406.530 3.908 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490043432 999883617 /nfs/dbraw/zinc/88/36/17/999883617.db2.gz QEJSKBODXQJAIV-PZJWPPBQSA-N 1 1 406.530 3.907 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490043432 999883619 /nfs/dbraw/zinc/88/36/19/999883619.db2.gz QEJSKBODXQJAIV-PZJWPPBQSA-N 1 1 406.530 3.907 20 30 HHEDMO Cc1cc(N2CCC(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000490508083 999969127 /nfs/dbraw/zinc/96/91/27/999969127.db2.gz QTWILBVQSOXADR-VXKWHMMOSA-N 1 1 418.545 3.544 20 30 HHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000491342877 1000066580 /nfs/dbraw/zinc/06/65/80/1000066580.db2.gz LIBYZJBVHPYXOH-UHFFFAOYSA-N 1 1 406.486 3.880 20 30 HHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000491342877 1000066582 /nfs/dbraw/zinc/06/65/82/1000066582.db2.gz LIBYZJBVHPYXOH-UHFFFAOYSA-N 1 1 406.486 3.880 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)CC2)cc1 ZINC000491411233 1000072813 /nfs/dbraw/zinc/07/28/13/1000072813.db2.gz YHEHVYWQHMKCNN-UHFFFAOYSA-N 1 1 417.513 3.573 20 30 HHEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000492211013 1000115611 /nfs/dbraw/zinc/11/56/11/1000115611.db2.gz PJAAANQHHIUKLU-XLIONFOSSA-N 1 1 406.486 3.917 20 30 HHEDMO C=CCNC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000492937508 1000150400 /nfs/dbraw/zinc/15/04/00/1000150400.db2.gz SOPGWUXVNKCUKT-UHFFFAOYSA-N 1 1 418.463 3.729 20 30 HHEDMO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000504743858 1000351063 /nfs/dbraw/zinc/35/10/63/1000351063.db2.gz YLLXVYAZLCMGSE-JOCHJYFZSA-N 1 1 403.526 3.840 20 30 HHEDMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000494578706 1000562165 /nfs/dbraw/zinc/56/21/65/1000562165.db2.gz JRZZANHXZKKOQD-UHFFFAOYSA-N 1 1 414.550 3.758 20 30 HHEDMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000494578706 1000562168 /nfs/dbraw/zinc/56/21/68/1000562168.db2.gz JRZZANHXZKKOQD-UHFFFAOYSA-N 1 1 414.550 3.758 20 30 HHEDMO CC(C)c1nc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)no1 ZINC000505211756 1000621969 /nfs/dbraw/zinc/62/19/69/1000621969.db2.gz VCZOKUGHBFLBKB-INIZCTEOSA-N 1 1 413.497 3.847 20 30 HHEDMO CC(C)C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)C ZINC000494780488 1000651686 /nfs/dbraw/zinc/65/16/86/1000651686.db2.gz QAYGIMYREXHFQV-SFHVURJKSA-N 1 1 400.567 3.722 20 30 HHEDMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1OCCc2sccc21 ZINC000494933938 1000738200 /nfs/dbraw/zinc/73/82/00/1000738200.db2.gz GNALDTVMGNZVPV-VGOFRKELSA-N 1 1 424.570 3.540 20 30 HHEDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494996190 1000768994 /nfs/dbraw/zinc/76/89/94/1000768994.db2.gz KZXAPTXYDGTLKV-NQIIRXRSSA-N 1 1 412.578 3.867 20 30 HHEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCC[C@H]1C1CCC1)CCCC2 ZINC000495027476 1000787276 /nfs/dbraw/zinc/78/72/76/1000787276.db2.gz KUEVOHKWCOLGFR-RXVVDRJESA-N 1 1 410.562 3.621 20 30 HHEDMO CCN1CC[NH+](Cc2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)CC1 ZINC000505512945 1000851212 /nfs/dbraw/zinc/85/12/12/1000851212.db2.gz LQZJZSAFXAYFDZ-UHFFFAOYSA-N 1 1 408.521 3.751 20 30 HHEDMO C=CCOc1c(Br)cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1OCC ZINC000495131743 1000871213 /nfs/dbraw/zinc/87/12/13/1000871213.db2.gz ZBJKUPLRPVEEHF-WMZOPIPTSA-N 1 1 409.368 3.939 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000505538946 1000887592 /nfs/dbraw/zinc/88/75/92/1000887592.db2.gz RLXJNDKTKMSMRP-DEOSSOPVSA-N 1 1 405.546 3.639 20 30 HHEDMO C=CCNC(=O)c1ccc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nc1 ZINC000495339656 1000973729 /nfs/dbraw/zinc/97/37/29/1000973729.db2.gz ZUTKOCYIMGHOBG-UHFFFAOYSA-N 1 1 417.513 3.729 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 ZINC000505778459 1001019339 /nfs/dbraw/zinc/01/93/39/1001019339.db2.gz SGTCWCQNYJMTOO-MHECFPHRSA-N 1 1 413.562 3.939 20 30 HHEDMO N#C[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(C(F)(F)F)c1 ZINC000505922019 1001102677 /nfs/dbraw/zinc/10/26/77/1001102677.db2.gz CSGNYBOSIRIAEH-VQTJNVASSA-N 1 1 417.431 3.677 20 30 HHEDMO N#C[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(C(F)(F)F)c1 ZINC000505922019 1001102681 /nfs/dbraw/zinc/10/26/81/1001102681.db2.gz CSGNYBOSIRIAEH-VQTJNVASSA-N 1 1 417.431 3.677 20 30 HHEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000496273637 1001151466 /nfs/dbraw/zinc/15/14/66/1001151466.db2.gz UEVZMFARPDMMPO-QFIPXVFZSA-N 1 1 408.571 3.700 20 30 HHEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1OCCCC#N ZINC000506164847 1001257109 /nfs/dbraw/zinc/25/71/09/1001257109.db2.gz WWGUBBBNMDUHST-UHFFFAOYSA-N 1 1 409.530 3.846 20 30 HHEDMO N#Cc1cccnc1N1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000506246795 1001304775 /nfs/dbraw/zinc/30/47/75/1001304775.db2.gz OSDJTCNHDZSEAU-UHFFFAOYSA-N 1 1 421.508 3.523 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 ZINC000506278795 1001325307 /nfs/dbraw/zinc/32/53/07/1001325307.db2.gz AJIUKXKPECHZLO-UHFFFAOYSA-N 1 1 416.428 3.776 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnc4ccc(Br)cn34)CC2)cc1 ZINC000506279737 1001325592 /nfs/dbraw/zinc/32/55/92/1001325592.db2.gz GYZDCWBMDPJTRL-UHFFFAOYSA-N 1 1 424.346 3.676 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000497389232 1001329235 /nfs/dbraw/zinc/32/92/35/1001329235.db2.gz NJVPABLPUPARJO-RBUKOAKNSA-N 1 1 408.546 3.754 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000497389232 1001329241 /nfs/dbraw/zinc/32/92/41/1001329241.db2.gz NJVPABLPUPARJO-RBUKOAKNSA-N 1 1 408.546 3.754 20 30 HHEDMO C=C(C)COc1cc(C[NH+]2CCN(c3ncnc4sccc43)CC2)ccc1OC ZINC000506355443 1001374008 /nfs/dbraw/zinc/37/40/08/1001374008.db2.gz INJYUUKTMVDNJP-UHFFFAOYSA-N 1 1 410.543 3.977 20 30 HHEDMO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000506476560 1001430311 /nfs/dbraw/zinc/43/03/11/1001430311.db2.gz HRHNOGYQKYDCEI-UHFFFAOYSA-N 1 1 400.530 3.759 20 30 HHEDMO Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)s1 ZINC000497608850 1001457428 /nfs/dbraw/zinc/45/74/28/1001457428.db2.gz ROFFDSOODDFLPE-GOSISDBHSA-N 1 1 424.570 3.586 20 30 HHEDMO Cc1cc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)nn1-c1cccc(C#N)c1 ZINC000506681962 1001492457 /nfs/dbraw/zinc/49/24/57/1001492457.db2.gz MKWQPHHOCRPWMV-LJQANCHMSA-N 1 1 413.525 3.789 20 30 HHEDMO N#Cc1ccc(N2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)CC2)nc1 ZINC000498118076 1001648851 /nfs/dbraw/zinc/64/88/51/1001648851.db2.gz UHSAOFRMKNKTOO-UHFFFAOYSA-N 1 1 421.508 3.523 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000507075726 1001793402 /nfs/dbraw/zinc/79/34/02/1001793402.db2.gz 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FZFYBVKLFYBHMD-SFTDATJTSA-N 1 1 402.970 3.621 20 30 HHEDMO C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599868 1012393013 /nfs/dbraw/zinc/39/30/13/1012393013.db2.gz RJYJDTRKWWCASI-CEXWTWQISA-N 1 1 400.542 3.703 20 30 HHEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@@H](C)C1 ZINC000523784058 1012433946 /nfs/dbraw/zinc/43/39/46/1012433946.db2.gz DBBVCRUILKVDPI-RDPSFJRHSA-N 1 1 420.557 3.740 20 30 HHEDMO C=CC[N@@H+](Cc1c(C2CC2)nc2sccn12)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537180804 1012589539 /nfs/dbraw/zinc/58/95/39/1012589539.db2.gz VSBDFCFYBGIBQL-OAHLLOKOSA-N 1 1 405.531 3.998 20 30 HHEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000552755179 1012763109 /nfs/dbraw/zinc/76/31/09/1012763109.db2.gz FJKQOVCFTAQNBJ-UHFFFAOYSA-N 1 1 407.470 3.917 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541973586 1012838956 /nfs/dbraw/zinc/83/89/56/1012838956.db2.gz XPTMNSSZJRXTQF-YLJYHZDGSA-N 1 1 424.570 3.827 20 30 HHEDMO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000537408491 1012890695 /nfs/dbraw/zinc/89/06/95/1012890695.db2.gz ZCWAFYCNZVMBMF-INIZCTEOSA-N 1 1 401.507 3.723 20 30 HHEDMO C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@@H+](C)Cc1ccccc1 ZINC000542027220 1012922661 /nfs/dbraw/zinc/92/26/61/1012922661.db2.gz YTVMYDZBDOSVAG-MRXNPFEDSA-N 1 1 406.465 3.525 20 30 HHEDMO C[C@H](c1ccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1)[NH+]1CCOCC1 ZINC000552951662 1012937903 /nfs/dbraw/zinc/93/79/03/1012937903.db2.gz DCOZNHRDWLRBBZ-XLIONFOSSA-N 1 1 422.504 3.556 20 30 HHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]2CCCC[C@H]12 ZINC000542053148 1012964301 /nfs/dbraw/zinc/96/43/01/1012964301.db2.gz XVCPWNGEHGRVEJ-MOXWOTFGSA-N 1 1 424.589 3.867 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)C2=O)cc1 ZINC000542056667 1012971478 /nfs/dbraw/zinc/97/14/78/1012971478.db2.gz CSRGZSHBKBHCBM-ROUUACIJSA-N 1 1 417.435 3.606 20 30 HHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC3COC3)c(F)c2)no1 ZINC001211975841 1071829915 /nfs/dbraw/zinc/82/99/15/1071829915.db2.gz RFGIGMHIVVCDEF-APWZRJJASA-N 1 1 419.497 3.731 20 30 HHEDMO C[C@H]1[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001212065124 1071943204 /nfs/dbraw/zinc/94/32/04/1071943204.db2.gz YGADMHSWGSBVLN-KBXCAEBGSA-N 1 1 423.460 3.518 20 30 HHEDMO N#Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1Cl ZINC000586815452 1072434703 /nfs/dbraw/zinc/43/47/03/1072434703.db2.gz ZGYOYBRVPJTGJW-SFHVURJKSA-N 1 1 403.860 3.985 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174640 1072453327 /nfs/dbraw/zinc/45/33/27/1072453327.db2.gz ULXOTZIVSUZNBN-QFIPXVFZSA-N 1 1 411.477 3.624 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174640 1072453407 /nfs/dbraw/zinc/45/34/07/1072453407.db2.gz ULXOTZIVSUZNBN-QFIPXVFZSA-N 1 1 411.477 3.624 20 30 HHEDMO N#CCOc1cccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000760567177 1072599126 /nfs/dbraw/zinc/59/91/26/1072599126.db2.gz MJIPVUWELFOWGG-IBGZPJMESA-N 1 1 417.431 3.541 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571604735 1072678319 /nfs/dbraw/zinc/67/83/19/1072678319.db2.gz ZEPZIFSSSBLIOZ-CLOONOSVSA-N 1 1 419.525 3.800 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571604735 1072678324 /nfs/dbraw/zinc/67/83/24/1072678324.db2.gz ZEPZIFSSSBLIOZ-CLOONOSVSA-N 1 1 419.525 3.800 20 30 HHEDMO COc1cc(OC)c2ncc(C#N)c(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)c2c1 ZINC000587987411 1072731170 /nfs/dbraw/zinc/73/11/70/1072731170.db2.gz LVEZLBGLSSYJBW-IBGZPJMESA-N 1 1 402.498 3.834 20 30 HHEDMO CC1(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000588023044 1072760058 /nfs/dbraw/zinc/76/00/58/1072760058.db2.gz OHJMPAYYONTQJO-HXUWFJFHSA-N 1 1 414.981 3.951 20 30 HHEDMO N#Cc1ccc([C@@H]([NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C(N)=O)cc1 ZINC000572042138 1073119292 /nfs/dbraw/zinc/11/92/92/1073119292.db2.gz YLZQQIMVCLSJTD-RBUKOAKNSA-N 1 1 423.314 3.996 20 30 HHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCOCc2ccc(C#N)cc2)C1 ZINC000588879074 1073324884 /nfs/dbraw/zinc/32/48/84/1073324884.db2.gz JRIWINCUMMCQHE-LJQANCHMSA-N 1 1 400.567 3.617 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(Br)c1 ZINC000588985357 1073370786 /nfs/dbraw/zinc/37/07/86/1073370786.db2.gz PFACCOLJNQNUQJ-FQEVSTJZSA-N 1 1 403.295 3.887 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000590143149 1073584702 /nfs/dbraw/zinc/58/47/02/1073584702.db2.gz JYTNJWMJGWPMOA-UHFFFAOYSA-N 1 1 415.456 3.760 20 30 HHEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cnc1C(F)(F)F ZINC000590186688 1073631993 /nfs/dbraw/zinc/63/19/93/1073631993.db2.gz OSHOFPFNGOUREL-MRXNPFEDSA-N 1 1 402.420 3.614 20 30 HHEDMO C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000555685433 1073734608 /nfs/dbraw/zinc/73/46/08/1073734608.db2.gz LDWJRQVJONLAQO-HRAATJIYSA-N 1 1 414.912 3.539 20 30 HHEDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000590388830 1073808422 /nfs/dbraw/zinc/80/84/22/1073808422.db2.gz NWDUJERXPYCPJZ-SFHVURJKSA-N 1 1 405.498 3.676 20 30 HHEDMO N#CC1(NC(=O)CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCCCC1 ZINC000591334475 1074236868 /nfs/dbraw/zinc/23/68/68/1074236868.db2.gz PQUHPVGQZYDNBQ-UHFFFAOYSA-N 1 1 422.495 3.556 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000591497253 1074346539 /nfs/dbraw/zinc/34/65/39/1074346539.db2.gz BMBNDJNKNLFKIO-UHFFFAOYSA-N 1 1 406.530 3.731 20 30 HHEDMO N#Cc1ccc(Oc2cccc(NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)c2)cc1 ZINC000574216085 1075177706 /nfs/dbraw/zinc/17/77/06/1075177706.db2.gz GTTAOXPHJYXUKW-RUZDIDTESA-N 1 1 413.477 3.926 20 30 HHEDMO C=CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213445 1075544597 /nfs/dbraw/zinc/54/45/97/1075544597.db2.gz OUUDBGDTFTUGSZ-QGZVFWFLSA-N 1 1 402.506 3.737 20 30 HHEDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C#N)c(C)c1Cl ZINC001164839038 720512428 /nfs/dbraw/zinc/51/24/28/720512428.db2.gz SADDLIOAHYBUBL-QWFCFKBJSA-N 1 1 412.969 3.798 20 30 HHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3C#C[Si](C)(C)C)CC[C@@H]21 ZINC001164842090 720569051 /nfs/dbraw/zinc/56/90/51/720569051.db2.gz WKVGFCUSNNZDQH-VABKMULXSA-N 1 1 421.665 3.885 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1c(C#N)cnc3cnc(Cl)cc31)[C@@H]2C ZINC001164855707 720935349 /nfs/dbraw/zinc/93/53/49/720935349.db2.gz JHJUAHUVFBDMRD-CQSZACIVSA-N 1 1 409.925 3.773 20 30 HHEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900963 721515226 /nfs/dbraw/zinc/51/52/26/721515226.db2.gz VEQVWTPQOHTWLN-HOCLYGCPSA-N 1 1 422.838 3.633 20 30 HHEDMO N#Cc1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164905718 721582627 /nfs/dbraw/zinc/58/26/27/721582627.db2.gz VJIXMCOAPUGYQR-IBGZPJMESA-N 1 1 403.864 3.739 20 30 HHEDMO N#Cc1c[nH]c2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc12 ZINC001164906232 721709888 /nfs/dbraw/zinc/70/98/88/721709888.db2.gz LKGDRRAQHXXHHT-OAQYLSRUSA-N 1 1 408.456 3.567 20 30 HHEDMO N#Cc1ccc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C(F)(F)F)c1 ZINC000301345703 970878903 /nfs/dbraw/zinc/87/89/03/970878903.db2.gz GQTVRFBFNDPRFO-GOSISDBHSA-N 1 1 416.447 3.886 20 30 HHEDMO C=CCNC(=O)c1ccc(NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000301882730 971097736 /nfs/dbraw/zinc/09/77/36/971097736.db2.gz NABZWDWCJJBXHL-YWZLYKJASA-N 1 1 402.901 3.895 20 30 HHEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000302063637 971167194 /nfs/dbraw/zinc/16/71/94/971167194.db2.gz VASLCCWEEQNOBW-SFHVURJKSA-N 1 1 424.451 3.887 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000302604602 971262511 /nfs/dbraw/zinc/26/25/11/971262511.db2.gz SAVOOVMWYAEBFI-HXUWFJFHSA-N 1 1 416.529 3.824 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000302604602 971262515 /nfs/dbraw/zinc/26/25/15/971262515.db2.gz SAVOOVMWYAEBFI-HXUWFJFHSA-N 1 1 416.529 3.824 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537562412 1013095422 /nfs/dbraw/zinc/09/54/22/1013095422.db2.gz SLGYDTQIIGTSND-MJGOQNOKSA-N 1 1 412.582 3.763 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537562412 1013095439 /nfs/dbraw/zinc/09/54/39/1013095439.db2.gz SLGYDTQIIGTSND-MJGOQNOKSA-N 1 1 412.582 3.763 20 30 HHEDMO CCOCC[NH+]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000303442271 971732667 /nfs/dbraw/zinc/73/26/67/971732667.db2.gz GAAPUUCVXBOGIY-UHFFFAOYSA-N 1 1 422.529 3.518 20 30 HHEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000303788954 972028472 /nfs/dbraw/zinc/02/84/72/972028472.db2.gz JPVGPWSHBNHPFZ-LPHOPBHVSA-N 1 1 417.962 3.885 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000303800215 972037173 /nfs/dbraw/zinc/03/71/73/972037173.db2.gz JMMHWAAJNJCXNO-JOCHJYFZSA-N 1 1 408.933 3.525 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC2(CCC[N@H+]2C)CC1 ZINC000542269340 1013230588 /nfs/dbraw/zinc/23/05/88/1013230588.db2.gz IROJLWSBKLFNQT-MRXNPFEDSA-N 1 1 400.592 3.776 20 30 HHEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553290005 1013246568 /nfs/dbraw/zinc/24/65/68/1013246568.db2.gz XTFMPTKIGYMLFG-IBGZPJMESA-N 1 1 402.970 3.809 20 30 HHEDMO CC(C)[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000542322583 1013277554 /nfs/dbraw/zinc/27/75/54/1013277554.db2.gz LQKVZIZUDQOFIN-RUZDIDTESA-N 1 1 419.525 3.807 20 30 HHEDMO CC(C)[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000542322583 1013277560 /nfs/dbraw/zinc/27/75/60/1013277560.db2.gz LQKVZIZUDQOFIN-RUZDIDTESA-N 1 1 419.525 3.807 20 30 HHEDMO 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1 1 404.514 3.643 20 30 HHEDMO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1Cl ZINC000554605810 1013987693 /nfs/dbraw/zinc/98/76/93/1013987693.db2.gz DVGZXYOIUNXFJX-NRFANRHFSA-N 1 1 423.944 3.870 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1C ZINC000150333737 970443146 /nfs/dbraw/zinc/44/31/46/970443146.db2.gz OYRLBYWDKGYQKX-PXNSSMCTSA-N 1 1 407.562 3.931 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ncnc4ccc(Br)cc43)CC2)cc1 ZINC000261374439 970632017 /nfs/dbraw/zinc/63/20/17/970632017.db2.gz XZMGPIKAXDXTIJ-UHFFFAOYSA-N 1 1 422.330 3.976 20 30 HHEDMO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000261481999 970715201 /nfs/dbraw/zinc/71/52/01/970715201.db2.gz NHHUUWLATNJMHM-QFIPXVFZSA-N 1 1 408.546 3.961 20 30 HHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000261481999 970715206 /nfs/dbraw/zinc/71/52/06/970715206.db2.gz NHHUUWLATNJMHM-QFIPXVFZSA-N 1 1 408.546 3.961 20 30 HHEDMO [NH2+]=C(NCC1(CN2CCOCC2)CCCCC1)Nc1ccccc1OC(F)(F)F ZINC000305218352 972611425 /nfs/dbraw/zinc/61/14/25/972611425.db2.gz IULVXTSPAUTXDM-UHFFFAOYSA-N 1 1 414.472 3.595 20 30 HHEDMO C#CC[N@H+](C)CCCNCc1cc(Br)cc(Br)c1OCC ZINC000392769938 972857318 /nfs/dbraw/zinc/85/73/18/972857318.db2.gz QUYLIDATNYYUQF-UHFFFAOYSA-N 1 1 418.173 3.655 20 30 HHEDMO C#CCN(C)CCC[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000392769938 972857330 /nfs/dbraw/zinc/85/73/30/972857330.db2.gz QUYLIDATNYYUQF-UHFFFAOYSA-N 1 1 418.173 3.655 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000409518921 972973764 /nfs/dbraw/zinc/97/37/64/972973764.db2.gz FDERINCBYGXACB-MSOLQXFVSA-N 1 1 410.331 3.913 20 30 HHEDMO N#Cc1ccsc1N1CC[C@@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)C1=O ZINC000409846163 973314668 /nfs/dbraw/zinc/31/46/68/973314668.db2.gz YCDXKAOVBUVFKU-HUUCEWRRSA-N 1 1 418.316 3.601 20 30 HHEDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000409882888 973349142 /nfs/dbraw/zinc/34/91/42/973349142.db2.gz DKFNLXDZOVJQMS-TZIWHRDSSA-N 1 1 405.889 3.573 20 30 HHEDMO C[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000409882888 973349147 /nfs/dbraw/zinc/34/91/47/973349147.db2.gz DKFNLXDZOVJQMS-TZIWHRDSSA-N 1 1 405.889 3.573 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000426784428 974657498 /nfs/dbraw/zinc/65/74/98/974657498.db2.gz MHPAWMYGCMKQMY-XMSQKQJNSA-N 1 1 417.525 3.511 20 30 HHEDMO C=CCOc1ccc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000427298527 975034631 /nfs/dbraw/zinc/03/46/31/975034631.db2.gz DCKDURKEOQTMGH-KDURUIRLSA-N 1 1 416.562 3.612 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000427508251 975152339 /nfs/dbraw/zinc/15/23/39/975152339.db2.gz ZJRWJEKQZRCTJK-RUZDIDTESA-N 1 1 421.541 3.751 20 30 HHEDMO C[C@@]1(CNC(=O)CCCC(=O)Nc2ccccc2C#N)CCC[N@H+]1Cc1ccccc1 ZINC000428333506 975642844 /nfs/dbraw/zinc/64/28/44/975642844.db2.gz KLSMAMOKHWQTQM-VWLOTQADSA-N 1 1 418.541 3.838 20 30 HHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000428376279 975698308 /nfs/dbraw/zinc/69/83/08/975698308.db2.gz VDOYISWCRBJJQN-AWEZNQCLSA-N 1 1 417.282 3.706 20 30 HHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000428376279 975698312 /nfs/dbraw/zinc/69/83/12/975698312.db2.gz VDOYISWCRBJJQN-AWEZNQCLSA-N 1 1 417.282 3.706 20 30 HHEDMO N#CCCn1ncc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1-c1ccccc1 ZINC000428707855 975999478 /nfs/dbraw/zinc/99/94/78/975999478.db2.gz IKTLKSKIIPLJBF-JOCHJYFZSA-N 1 1 413.525 3.858 20 30 HHEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)C1 ZINC000428990207 976271425 /nfs/dbraw/zinc/27/14/25/976271425.db2.gz HNRJWOSYGRKPQY-UWVAXJGDSA-N 1 1 414.619 3.879 20 30 HHEDMO C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429005390 976286031 /nfs/dbraw/zinc/28/60/31/976286031.db2.gz GFPDXZVVWTVNEH-XMMPIXPASA-N 1 1 407.558 3.718 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429042735 976327049 /nfs/dbraw/zinc/32/70/49/976327049.db2.gz OHQGICPXDYQWPT-HSZRJFAPSA-N 1 1 420.582 3.873 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429042735 976327059 /nfs/dbraw/zinc/32/70/59/976327059.db2.gz OHQGICPXDYQWPT-HSZRJFAPSA-N 1 1 420.582 3.873 20 30 HHEDMO C=CCn1c(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nnc1-c1ccncc1 ZINC000430097763 977318032 /nfs/dbraw/zinc/31/80/32/977318032.db2.gz BZYQYVOJFUMMGG-NRFANRHFSA-N 1 1 421.570 3.909 20 30 HHEDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000430107228 977321822 /nfs/dbraw/zinc/32/18/22/977321822.db2.gz RMPKVUWCQMXCHV-DEOSSOPVSA-N 1 1 408.498 3.694 20 30 HHEDMO C=CCN1C(=O)N(C[C@@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431265064 978150911 /nfs/dbraw/zinc/15/09/11/978150911.db2.gz GNMUHVSNUHUCBG-GOTSBHOMSA-N 1 1 403.526 3.713 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000431520805 978345082 /nfs/dbraw/zinc/34/50/82/978345082.db2.gz SEWNOTYSPCJNCR-XMMPIXPASA-N 1 1 403.526 3.687 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000431520805 978345090 /nfs/dbraw/zinc/34/50/90/978345090.db2.gz SEWNOTYSPCJNCR-XMMPIXPASA-N 1 1 403.526 3.687 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000431520802 978345184 /nfs/dbraw/zinc/34/51/84/978345184.db2.gz SEWNOTYSPCJNCR-DEOSSOPVSA-N 1 1 403.526 3.687 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000431520802 978345188 /nfs/dbraw/zinc/34/51/88/978345188.db2.gz SEWNOTYSPCJNCR-DEOSSOPVSA-N 1 1 403.526 3.687 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](Oc4ccncc4)C3)sc2C1 ZINC000431610382 978382699 /nfs/dbraw/zinc/38/26/99/978382699.db2.gz PXSRRPKXSLUTLK-RDJZCZTQSA-N 1 1 410.543 3.621 20 30 HHEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000432489913 978844689 /nfs/dbraw/zinc/84/46/89/978844689.db2.gz 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CC[N@@H+](CCNC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)CCC(F)(F)F ZINC000433621715 979432038 /nfs/dbraw/zinc/43/20/38/979432038.db2.gz LOYMXGAOXUIOHU-ZDUSSCGKSA-N 1 1 403.342 3.845 20 30 HHEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C#N ZINC000434314619 980075730 /nfs/dbraw/zinc/07/57/30/980075730.db2.gz MFMCGKFSLOORCY-NRFANRHFSA-N 1 1 415.497 3.528 20 30 HHEDMO CCn1nccc1C1CC[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000434749508 980378122 /nfs/dbraw/zinc/37/81/22/980378122.db2.gz YESCAAXEVQLABS-UHFFFAOYSA-N 1 1 413.953 3.991 20 30 HHEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000434980810 980546938 /nfs/dbraw/zinc/54/69/38/980546938.db2.gz BOKPOPWTADTMDJ-UXHICEINSA-N 1 1 423.561 3.505 20 30 HHEDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000434980810 980546945 /nfs/dbraw/zinc/54/69/45/980546945.db2.gz BOKPOPWTADTMDJ-UXHICEINSA-N 1 1 423.561 3.505 20 30 HHEDMO 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ZINC000435133944 980665558 /nfs/dbraw/zinc/66/55/58/980665558.db2.gz UIBFDGFAMUXTGP-HSZRJFAPSA-N 1 1 400.530 3.565 20 30 HHEDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436332747 981305925 /nfs/dbraw/zinc/30/59/25/981305925.db2.gz IECRPYUJUUJJNF-RBUKOAKNSA-N 1 1 420.557 3.773 20 30 HHEDMO CCCN(C(=O)C(=O)Nc1cccc(C)c1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437328377 981979906 /nfs/dbraw/zinc/97/99/06/981979906.db2.gz BRYRNOXLHOWQRK-NRFANRHFSA-N 1 1 418.541 3.708 20 30 HHEDMO CCCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437348225 981998662 /nfs/dbraw/zinc/99/86/62/981998662.db2.gz VDZAOZJSKJIBEY-NRFANRHFSA-N 1 1 422.504 3.539 20 30 HHEDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000437717142 982314911 /nfs/dbraw/zinc/31/49/11/982314911.db2.gz AKHAOJGYRVOZHN-IMWIBFENSA-N 1 1 418.541 3.729 20 30 HHEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437724917 982319595 /nfs/dbraw/zinc/31/95/95/982319595.db2.gz JPVVTCSTLARZPN-UHFFFAOYSA-N 1 1 400.511 3.880 20 30 HHEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460566437 982351272 /nfs/dbraw/zinc/35/12/72/982351272.db2.gz RXUWSBKXSYAYDG-KBPBESRZSA-N 1 1 407.360 3.531 20 30 HHEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437882589 982433211 /nfs/dbraw/zinc/43/32/11/982433211.db2.gz QXSHVJBCFQEQCE-HNNXBMFYSA-N 1 1 419.394 3.782 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)C[C@H]1C ZINC000460746650 982505260 /nfs/dbraw/zinc/50/52/60/982505260.db2.gz DSWIJBAOPOVSAL-UYAOXDASSA-N 1 1 410.566 3.694 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000437988185 982508962 /nfs/dbraw/zinc/50/89/62/982508962.db2.gz AIBCZHXDLKTJMX-MKWLTTDUSA-N 1 1 414.594 3.613 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000437988185 982508971 /nfs/dbraw/zinc/50/89/71/982508971.db2.gz AIBCZHXDLKTJMX-MKWLTTDUSA-N 1 1 414.594 3.613 20 30 HHEDMO CSc1ccc(CCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000437988146 982509151 /nfs/dbraw/zinc/50/91/51/982509151.db2.gz ADGRRLQIJHWSAW-UHFFFAOYSA-N 1 1 408.571 3.740 20 30 HHEDMO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460783870 982536460 /nfs/dbraw/zinc/53/64/60/982536460.db2.gz ZBYOIHJFPIWUKB-UEXGIBASSA-N 1 1 411.550 3.533 20 30 HHEDMO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460791216 982544632 /nfs/dbraw/zinc/54/46/32/982544632.db2.gz FHTSZDWMALBEMV-GHTZIAJQSA-N 1 1 410.566 3.552 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460796176 982549076 /nfs/dbraw/zinc/54/90/76/982549076.db2.gz FNDIADONOOKYHS-NQIIRXRSSA-N 1 1 413.566 3.608 20 30 HHEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460944182 982681011 /nfs/dbraw/zinc/68/10/11/982681011.db2.gz DCHDYYWPIMDLCD-UHFFFAOYSA-N 1 1 405.550 3.777 20 30 HHEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460949341 982684130 /nfs/dbraw/zinc/68/41/30/982684130.db2.gz BVRYNVGSOJBNJI-QHCPKHFHSA-N 1 1 416.573 3.941 20 30 HHEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000438627797 982948122 /nfs/dbraw/zinc/94/81/22/982948122.db2.gz BHTARRMFHDGUQM-KDOFPFPSSA-N 1 1 412.456 3.836 20 30 HHEDMO CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000438655572 982973373 /nfs/dbraw/zinc/97/33/73/982973373.db2.gz MHPQNFYZKHKIIU-UZLBHIALSA-N 1 1 424.932 3.834 20 30 HHEDMO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000438810505 983085113 /nfs/dbraw/zinc/08/51/13/983085113.db2.gz CDRVJPFYDBQTCW-HNNXBMFYSA-N 1 1 402.951 3.981 20 30 HHEDMO C=CCc1ccc(OCC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1 ZINC000461428548 983091729 /nfs/dbraw/zinc/09/17/29/983091729.db2.gz IJQLDTREWOBGFO-DHIUTWEWSA-N 1 1 420.553 3.783 20 30 HHEDMO C=CCc1ccc(OCC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC000461428550 983091866 /nfs/dbraw/zinc/09/18/66/983091866.db2.gz IJQLDTREWOBGFO-PKTZIBPZSA-N 1 1 420.553 3.783 20 30 HHEDMO Cc1nc(C[NH+]2CCC(CNC(=O)N[C@H](CCC#N)c3ccccc3)CC2)oc1C ZINC000438835246 983104623 /nfs/dbraw/zinc/10/46/23/983104623.db2.gz BVROUVGSGHBXDG-OAQYLSRUSA-N 1 1 409.534 3.848 20 30 HHEDMO C[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000438849440 983115676 /nfs/dbraw/zinc/11/56/76/983115676.db2.gz RUKZAXATDYDLDE-NFBKMPQASA-N 1 1 405.546 3.541 20 30 HHEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000438858477 983124357 /nfs/dbraw/zinc/12/43/57/983124357.db2.gz OLYKVJVXUHZQHI-XMMPIXPASA-N 1 1 419.573 3.668 20 30 HHEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@H]1C ZINC000461509549 983157486 /nfs/dbraw/zinc/15/74/86/983157486.db2.gz RRURLEAOJDPTAG-IAGOWNOFSA-N 1 1 406.559 3.845 20 30 HHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000439454650 983417814 /nfs/dbraw/zinc/41/78/14/983417814.db2.gz OGHCUXMMCQXNAZ-ROUUACIJSA-N 1 1 416.591 3.646 20 30 HHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000439467326 983422637 /nfs/dbraw/zinc/42/26/37/983422637.db2.gz JHMATACGVHROEJ-WEBUEUPWSA-N 1 1 401.507 3.539 20 30 HHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000439467326 983422640 /nfs/dbraw/zinc/42/26/40/983422640.db2.gz JHMATACGVHROEJ-WEBUEUPWSA-N 1 1 401.507 3.539 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)c1C ZINC000440648280 983837388 /nfs/dbraw/zinc/83/73/88/983837388.db2.gz WSBUOBHVIWVKMD-XMMPIXPASA-N 1 1 405.542 3.922 20 30 HHEDMO C=CCC[C@H](NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440865774 983941893 /nfs/dbraw/zinc/94/18/93/983941893.db2.gz QCCJYQOGFHGXKG-LPHOPBHVSA-N 1 1 412.500 3.648 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441272568 984152116 /nfs/dbraw/zinc/15/21/16/984152116.db2.gz AEXCSSYEHDDYQM-IXDOHACOSA-N 1 1 401.576 3.964 20 30 HHEDMO C[C@@H](O)C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441273756 984153087 /nfs/dbraw/zinc/15/30/87/984153087.db2.gz XVNGHPHISUHEDK-LSDHHAIUSA-N 1 1 405.951 3.916 20 30 HHEDMO COc1cccc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2CCC(O)CC2)c1 ZINC000441400005 984231177 /nfs/dbraw/zinc/23/11/77/984231177.db2.gz GAEKUKRWNHLWJK-UHFFFAOYSA-N 1 1 418.497 3.923 20 30 HHEDMO COc1cccc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2CCC(O)CC2)c1 ZINC000441400005 984231180 /nfs/dbraw/zinc/23/11/80/984231180.db2.gz GAEKUKRWNHLWJK-UHFFFAOYSA-N 1 1 418.497 3.923 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c1 ZINC000441766964 984440144 /nfs/dbraw/zinc/44/01/44/984440144.db2.gz OGYUSSLQDMMTNV-SFHVURJKSA-N 1 1 423.513 3.549 20 30 HHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000441906128 984530224 /nfs/dbraw/zinc/53/02/24/984530224.db2.gz SHKXDOSUADYIKQ-CQSZACIVSA-N 1 1 424.467 3.532 20 30 HHEDMO CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000462007541 984987298 /nfs/dbraw/zinc/98/72/98/984987298.db2.gz GXMSNZDVUMUHSM-IBGZPJMESA-N 1 1 417.340 3.735 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000442634898 985110623 /nfs/dbraw/zinc/11/06/23/985110623.db2.gz OHJHIGIMLCJMHN-OAQYLSRUSA-N 1 1 421.541 3.561 20 30 HHEDMO C[N@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000462158082 985132548 /nfs/dbraw/zinc/13/25/48/985132548.db2.gz QPFMSIKSDFIVFH-UHFFFAOYSA-N 1 1 417.962 3.744 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1cccs1 ZINC000462304674 985290744 /nfs/dbraw/zinc/29/07/44/985290744.db2.gz XTNDNEQUYSSVBK-SCLBCKFNSA-N 1 1 409.964 3.635 20 30 HHEDMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000443010338 985333956 /nfs/dbraw/zinc/33/39/56/985333956.db2.gz DIQYPDSIFHTTHP-JXFKEZNVSA-N 1 1 401.507 3.543 20 30 HHEDMO N#Cc1c(Cl)cccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000443079115 985365403 /nfs/dbraw/zinc/36/54/03/985365403.db2.gz NCMJSGNRSXIXDG-AYHJJNSGSA-N 1 1 415.946 3.686 20 30 HHEDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443130677 985395494 /nfs/dbraw/zinc/39/54/94/985395494.db2.gz NQXFKHXTMQGPKC-OXJNMPFZSA-N 1 1 417.962 3.885 20 30 HHEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000462470514 985428254 /nfs/dbraw/zinc/42/82/54/985428254.db2.gz ZWSDLAZVXNGPKK-CABCVRRESA-N 1 1 414.600 3.876 20 30 HHEDMO CCN(C(=O)NCc1ccc(C#N)c(OC)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000462476618 985433592 /nfs/dbraw/zinc/43/35/92/985433592.db2.gz AQBLYKANTXDELC-XMSQKQJNSA-N 1 1 406.530 3.934 20 30 HHEDMO N#Cc1cc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000462834771 985757143 /nfs/dbraw/zinc/75/71/43/985757143.db2.gz MHBAMZXOVFMKBZ-OAHLLOKOSA-N 1 1 423.423 4.369 20 30 HHEDMO N#Cc1cc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000462834771 985757147 /nfs/dbraw/zinc/75/71/47/985757147.db2.gz MHBAMZXOVFMKBZ-OAHLLOKOSA-N 1 1 423.423 4.369 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CCC(=O)OC(C)(C)C)c1C#N ZINC000468134664 985800223 /nfs/dbraw/zinc/80/02/23/985800223.db2.gz VTYFVYPWOHTLPC-UHFFFAOYSA-N 1 1 402.539 3.694 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C)c1C#N ZINC000468134664 985800235 /nfs/dbraw/zinc/80/02/35/985800235.db2.gz VTYFVYPWOHTLPC-UHFFFAOYSA-N 1 1 402.539 3.694 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000468138229 985805500 /nfs/dbraw/zinc/80/55/00/985805500.db2.gz LLALAXXDXISIDH-CQSZACIVSA-N 1 1 405.564 3.879 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000468138229 985805508 /nfs/dbraw/zinc/80/55/08/985805508.db2.gz LLALAXXDXISIDH-CQSZACIVSA-N 1 1 405.564 3.879 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000468138228 985806142 /nfs/dbraw/zinc/80/61/42/985806142.db2.gz LLALAXXDXISIDH-AWEZNQCLSA-N 1 1 405.564 3.879 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000468138228 985806146 /nfs/dbraw/zinc/80/61/46/985806146.db2.gz LLALAXXDXISIDH-AWEZNQCLSA-N 1 1 405.564 3.879 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000463024039 985982874 /nfs/dbraw/zinc/98/28/74/985982874.db2.gz WCEQNFLFEWNABY-DVECYGJZSA-N 1 1 418.541 3.632 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c(OC)c1 ZINC000463202755 986173891 /nfs/dbraw/zinc/17/38/91/986173891.db2.gz ZLVPOGJQNLHVGS-VTSJOCERSA-N 1 1 417.590 3.815 20 30 HHEDMO Cn1cc([C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccc(F)cc2)cn1 ZINC000463283842 986250508 /nfs/dbraw/zinc/25/05/08/986250508.db2.gz BOQHYCBVADCHJN-XMMPIXPASA-N 1 1 403.505 3.774 20 30 HHEDMO Cn1cc([C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccc(F)cc2)cn1 ZINC000463283841 986250869 /nfs/dbraw/zinc/25/08/69/986250869.db2.gz BOQHYCBVADCHJN-DEOSSOPVSA-N 1 1 403.505 3.774 20 30 HHEDMO C=CCN(C(=O)C[N@@H+](C)C[C@@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000463360558 986327000 /nfs/dbraw/zinc/32/70/00/986327000.db2.gz VPDRMLLTOJTZQY-GFCCVEGCSA-N 1 1 414.358 3.949 20 30 HHEDMO C=CCN(C(=O)C[N@H+](C)C[C@@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000463360558 986327007 /nfs/dbraw/zinc/32/70/07/986327007.db2.gz VPDRMLLTOJTZQY-GFCCVEGCSA-N 1 1 414.358 3.949 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463444780 986424403 /nfs/dbraw/zinc/42/44/03/986424403.db2.gz SMZPQPGCCGOIPG-CJFMBICVSA-N 1 1 423.532 3.778 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463444781 986424700 /nfs/dbraw/zinc/42/47/00/986424700.db2.gz SMZPQPGCCGOIPG-CPJSRVTESA-N 1 1 423.532 3.778 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463444782 986424751 /nfs/dbraw/zinc/42/47/51/986424751.db2.gz SMZPQPGCCGOIPG-NBGIEHNGSA-N 1 1 423.532 3.778 20 30 HHEDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444602189 986789071 /nfs/dbraw/zinc/78/90/71/986789071.db2.gz YWBLASSOLYLONT-YADHBBJMSA-N 1 1 419.569 3.749 20 30 HHEDMO C[N@H+]1CCCC[C@H]1CN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444627832 986814594 /nfs/dbraw/zinc/81/45/94/986814594.db2.gz ZIYIRMIAJGXLPD-SANMLTNESA-N 1 1 416.613 3.988 20 30 HHEDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000444754955 986916763 /nfs/dbraw/zinc/91/67/63/986916763.db2.gz VFTYGNRIJQYVAH-RBUKOAKNSA-N 1 1 412.578 3.724 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469223800 986946406 /nfs/dbraw/zinc/94/64/06/986946406.db2.gz ZCGWUIKYBUBAMQ-DYESRHJHSA-N 1 1 400.482 3.854 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444825260 986981092 /nfs/dbraw/zinc/98/10/92/986981092.db2.gz JMPDELMJJFJZRN-GOSISDBHSA-N 1 1 422.529 3.968 20 30 HHEDMO CCO[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000445000932 987130607 /nfs/dbraw/zinc/13/06/07/987130607.db2.gz QWILANWBWDBMJH-QHCPKHFHSA-N 1 1 406.530 3.553 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000469472748 987157103 /nfs/dbraw/zinc/15/71/03/987157103.db2.gz PSVFAVXRTHOPPO-JOCHJYFZSA-N 1 1 408.546 3.881 20 30 HHEDMO Cc1cc(N2CCC(NC(=O)c3cn(CCCC#N)c4ccccc34)CC2)nc(C)[nH+]1 ZINC000469536192 987209871 /nfs/dbraw/zinc/20/98/71/987209871.db2.gz VKWPRGAFUSBJEV-UHFFFAOYSA-N 1 1 416.529 3.751 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000469617312 987279225 /nfs/dbraw/zinc/27/92/25/987279225.db2.gz JWGKSXSZSMTKIK-IBGZPJMESA-N 1 1 407.514 3.527 20 30 HHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000469634217 987293310 /nfs/dbraw/zinc/29/33/10/987293310.db2.gz RXBFQMMRRHSLSH-JOCHJYFZSA-N 1 1 420.557 3.699 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000469716080 987369696 /nfs/dbraw/zinc/36/96/96/987369696.db2.gz BYDQZKGHIPYBBX-GOEBONIOSA-N 1 1 413.909 3.520 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000469716080 987369699 /nfs/dbraw/zinc/36/96/99/987369699.db2.gz BYDQZKGHIPYBBX-GOEBONIOSA-N 1 1 413.909 3.520 20 30 HHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000470211587 988136837 /nfs/dbraw/zinc/13/68/37/988136837.db2.gz JSVGYNLIISMHDT-QFIPXVFZSA-N 1 1 403.526 3.941 20 30 HHEDMO N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)ccc21 ZINC000470561247 988577661 /nfs/dbraw/zinc/57/76/61/988577661.db2.gz PZMYAAJSTBGUIY-UHFFFAOYSA-N 1 1 423.561 3.752 20 30 HHEDMO 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ZINC000470913546 988990033 /nfs/dbraw/zinc/99/00/33/988990033.db2.gz QDTVBHUMLQROKQ-HSZRJFAPSA-N 1 1 412.509 3.603 20 30 HHEDMO C=C(C)C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000470922869 988996774 /nfs/dbraw/zinc/99/67/74/988996774.db2.gz YEIWHFHUEBUVQN-OAQYLSRUSA-N 1 1 408.571 3.535 20 30 HHEDMO C=C(C)C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000470922869 988996781 /nfs/dbraw/zinc/99/67/81/988996781.db2.gz YEIWHFHUEBUVQN-OAQYLSRUSA-N 1 1 408.571 3.535 20 30 HHEDMO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000464781591 989008427 /nfs/dbraw/zinc/00/84/27/989008427.db2.gz WBVMHNSMAJGKQH-UUOWRZLLSA-N 1 1 412.578 3.868 20 30 HHEDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000464781591 989008434 /nfs/dbraw/zinc/00/84/34/989008434.db2.gz WBVMHNSMAJGKQH-UUOWRZLLSA-N 1 1 412.578 3.868 20 30 HHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000470967767 989031409 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JFMYGAPWRIQMPU-ZJSXRUAMSA-N 1 1 405.542 3.942 20 30 HHEDMO C[NH+](C)Cc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1Br ZINC000471166652 989291208 /nfs/dbraw/zinc/29/12/08/989291208.db2.gz WOYTZJJDSFAXEQ-QGZVFWFLSA-N 1 1 411.303 3.703 20 30 HHEDMO N#CCCn1ncc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1-c1ccccc1 ZINC000471284653 989440034 /nfs/dbraw/zinc/44/00/34/989440034.db2.gz YFWREYTZKUPLRH-NRFANRHFSA-N 1 1 413.525 3.716 20 30 HHEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471599161 989802966 /nfs/dbraw/zinc/80/29/66/989802966.db2.gz OTYVDDSATKHQPX-HXUWFJFHSA-N 1 1 415.459 3.878 20 30 HHEDMO CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[NH+]1CCOCC1 ZINC000465578733 989948444 /nfs/dbraw/zinc/94/84/44/989948444.db2.gz PVSGQEUVONSBTM-ZLNRFVROSA-N 1 1 412.578 3.605 20 30 HHEDMO COc1ccccc1-c1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 ZINC000471822846 990002282 /nfs/dbraw/zinc/00/22/82/990002282.db2.gz WDYRTGZSWMNERY-UHFFFAOYSA-N 1 1 401.514 3.598 20 30 HHEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCSCc1ccccc1C#N ZINC000465634505 990020890 /nfs/dbraw/zinc/02/08/90/990020890.db2.gz QHPWUJPWRROOBX-OAQYLSRUSA-N 1 1 422.598 3.955 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)C2)n1 ZINC000471971879 990137219 /nfs/dbraw/zinc/13/72/19/990137219.db2.gz XIIUTLAITNNQQV-QHCPKHFHSA-N 1 1 419.573 3.635 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)C(=O)NCCOc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000466107800 991285545 /nfs/dbraw/zinc/28/55/45/991285545.db2.gz OKJZAXIWSZHXIQ-KNQAVFIVSA-N 1 1 406.530 3.632 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466531318 991830351 /nfs/dbraw/zinc/83/03/51/991830351.db2.gz TVINHQIFKSZBEZ-WIYYLYMNSA-N 1 1 408.502 3.955 20 30 HHEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 ZINC000467211343 992536060 /nfs/dbraw/zinc/53/60/60/992536060.db2.gz LLLHLGSMKMUOIF-QRVBRYPASA-N 1 1 400.592 3.824 20 30 HHEDMO C=CCN(CC=C)C(=O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467300625 992625925 /nfs/dbraw/zinc/62/59/25/992625925.db2.gz UMGYCLQYIOVODZ-UHFFFAOYSA-N 1 1 407.352 3.631 20 30 HHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467301719 992627299 /nfs/dbraw/zinc/62/72/99/992627299.db2.gz QUGQSIXTOOABLX-UHFFFAOYSA-N 1 1 409.368 3.855 20 30 HHEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472236784 993265404 /nfs/dbraw/zinc/26/54/04/993265404.db2.gz CAYDNMVDGVCFJS-FQEVSTJZSA-N 1 1 400.526 3.944 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472236784 993265414 /nfs/dbraw/zinc/26/54/14/993265414.db2.gz CAYDNMVDGVCFJS-FQEVSTJZSA-N 1 1 400.526 3.944 20 30 HHEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000472266098 993289957 /nfs/dbraw/zinc/28/99/57/993289957.db2.gz PYEQDSVAFCDQPR-RXVVDRJESA-N 1 1 402.498 3.600 20 30 HHEDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](CC)CN1C(C)=O ZINC000472322939 993333632 /nfs/dbraw/zinc/33/36/32/993333632.db2.gz GWTSQGPLWTXSLW-DLBZAZTESA-N 1 1 416.591 3.548 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)c1C#N ZINC000472629312 993570944 /nfs/dbraw/zinc/57/09/44/993570944.db2.gz KVFXDHCLNCZHSC-KRWDZBQOSA-N 1 1 408.546 3.589 20 30 HHEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000481064298 993904363 /nfs/dbraw/zinc/90/43/63/993904363.db2.gz UTOVHZUDSHABIH-UWJYYQICSA-N 1 1 415.534 3.512 20 30 HHEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481167706 993997809 /nfs/dbraw/zinc/99/78/09/993997809.db2.gz LWLSINLAXLOUFE-LLGFUMIMSA-N 1 1 422.598 3.936 20 30 HHEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481167706 993997818 /nfs/dbraw/zinc/99/78/18/993997818.db2.gz LWLSINLAXLOUFE-LLGFUMIMSA-N 1 1 422.598 3.936 20 30 HHEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169847 994001184 /nfs/dbraw/zinc/00/11/84/994001184.db2.gz JDRRPDFRWUGIIY-NMMYMHLASA-N 1 1 422.548 3.961 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169847 994001195 /nfs/dbraw/zinc/00/11/95/994001195.db2.gz JDRRPDFRWUGIIY-NMMYMHLASA-N 1 1 422.548 3.961 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000473175226 994042405 /nfs/dbraw/zinc/04/24/05/994042405.db2.gz SKLKKYYFEWGUKS-QHCPKHFHSA-N 1 1 407.539 3.959 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000481417665 994251763 /nfs/dbraw/zinc/25/17/63/994251763.db2.gz KIBSYPBZYFMOLW-IERDGZPVSA-N 1 1 412.534 3.903 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000481484606 994317510 /nfs/dbraw/zinc/31/75/10/994317510.db2.gz LDEFCFIJWSYWBW-DYESRHJHSA-N 1 1 412.509 3.526 20 30 HHEDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)CC2)c1 ZINC000481492243 994324968 /nfs/dbraw/zinc/32/49/68/994324968.db2.gz 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ZINC000482968989 995889152 /nfs/dbraw/zinc/88/91/52/995889152.db2.gz ZPXAVEAZNJTLIF-QXGUJMOYSA-N 1 1 407.356 3.814 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1ccc(C#N)cc1 ZINC000475058001 995895980 /nfs/dbraw/zinc/89/59/80/995895980.db2.gz MCNZGUBMHKFHHS-FDDCHVKYSA-N 1 1 405.546 3.704 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1ccc(C#N)cc1 ZINC000475058001 995895983 /nfs/dbraw/zinc/89/59/83/995895983.db2.gz MCNZGUBMHKFHHS-FDDCHVKYSA-N 1 1 405.546 3.704 20 30 HHEDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(Br)cn1 ZINC000482978986 995897313 /nfs/dbraw/zinc/89/73/13/995897313.db2.gz HQCCSWYAZHWCNS-MNOVXSKESA-N 1 1 419.348 3.944 20 30 HHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000482978985 995897362 /nfs/dbraw/zinc/89/73/62/995897362.db2.gz HQCCSWYAZHWCNS-GHMZBOCLSA-N 1 1 419.348 3.944 20 30 HHEDMO CC[C@@H]1C[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@]2(CCOC2)O1 ZINC000483138342 995997495 /nfs/dbraw/zinc/99/74/95/995997495.db2.gz BKESOKLGMQMJAH-RDGATRHJSA-N 1 1 422.525 3.916 20 30 HHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@]2(CCOC2)O1 ZINC000483138342 995997497 /nfs/dbraw/zinc/99/74/97/995997497.db2.gz BKESOKLGMQMJAH-RDGATRHJSA-N 1 1 422.525 3.916 20 30 HHEDMO CC[C@H]1C[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@]2(CCOC2)O1 ZINC000483138337 995997638 /nfs/dbraw/zinc/99/76/38/995997638.db2.gz BKESOKLGMQMJAH-DHLKQENFSA-N 1 1 422.525 3.916 20 30 HHEDMO CC[C@H]1C[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@]2(CCOC2)O1 ZINC000483138337 995997644 /nfs/dbraw/zinc/99/76/44/995997644.db2.gz BKESOKLGMQMJAH-DHLKQENFSA-N 1 1 422.525 3.916 20 30 HHEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+](CC1CC1)CC1CCC1)CCCC2 ZINC000483276011 996075874 /nfs/dbraw/zinc/07/58/74/996075874.db2.gz CHBGVZYUTNRMIB-FQEVSTJZSA-N 1 1 424.589 3.868 20 30 HHEDMO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483369784 996132162 /nfs/dbraw/zinc/13/21/62/996132162.db2.gz TWYJHQCVWVLCFL-HNNXBMFYSA-N 1 1 418.423 3.748 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483482794 996209152 /nfs/dbraw/zinc/20/91/52/996209152.db2.gz KYZRXONNVTZPSL-PUHATCMVSA-N 1 1 408.590 3.704 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)CC3(C#N)CCCCC3)cc2)C1 ZINC000475562207 996220257 /nfs/dbraw/zinc/22/02/57/996220257.db2.gz MYLWZDLQIMFMLT-IBGZPJMESA-N 1 1 403.592 3.812 20 30 HHEDMO COc1ccccc1[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)[NH+]1CCCCC1 ZINC000475596166 996237649 /nfs/dbraw/zinc/23/76/49/996237649.db2.gz OZVZQJOLPPMBCG-HXUWFJFHSA-N 1 1 419.591 3.616 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+](CCO)Cc2ccc(C)o2)cc1OC ZINC000475618428 996251971 /nfs/dbraw/zinc/25/19/71/996251971.db2.gz TVEXQYNDUWLOAR-UHFFFAOYSA-N 1 1 410.308 3.918 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](CCO)Cc2ccc(C)o2)cc1OC ZINC000475618428 996251974 /nfs/dbraw/zinc/25/19/74/996251974.db2.gz TVEXQYNDUWLOAR-UHFFFAOYSA-N 1 1 410.308 3.918 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475655717 996280810 /nfs/dbraw/zinc/28/08/10/996280810.db2.gz KQSHNPXRUKTVHD-YADARESESA-N 1 1 423.582 3.946 20 30 HHEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000475728903 996328226 /nfs/dbraw/zinc/32/82/26/996328226.db2.gz VBULFUUZUJXMKR-XWSJACJDSA-N 1 1 412.578 3.722 20 30 HHEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc2)C[C@H](C)O1 ZINC000484159795 996607870 /nfs/dbraw/zinc/60/78/70/996607870.db2.gz KKDAKCQFSBQQCG-IRXDYDNUSA-N 1 1 404.514 3.694 20 30 HHEDMO CN(C(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000476136276 996625890 /nfs/dbraw/zinc/62/58/90/996625890.db2.gz FMYGQUICJJPTJR-GMAHTHKFSA-N 1 1 418.541 3.879 20 30 HHEDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000484311508 996695372 /nfs/dbraw/zinc/69/53/72/996695372.db2.gz RJKBAAHYGGYODH-QFIPXVFZSA-N 1 1 411.527 3.589 20 30 HHEDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000484311508 996695375 /nfs/dbraw/zinc/69/53/75/996695375.db2.gz RJKBAAHYGGYODH-QFIPXVFZSA-N 1 1 411.527 3.589 20 30 HHEDMO Cc1ccc(NCCCNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[nH+]c1 ZINC000476251326 996706671 /nfs/dbraw/zinc/70/66/71/996706671.db2.gz DHGNUWCCATXIBO-UHFFFAOYSA-N 1 1 407.518 3.753 20 30 HHEDMO N#CC[C@@H](CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000476377708 996817676 /nfs/dbraw/zinc/81/76/76/996817676.db2.gz KPPGNZGBBFBGKC-FQEVSTJZSA-N 1 1 410.949 3.666 20 30 HHEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3C[C@@H](C)[C@H](CO)C3)sc2C1 ZINC000484701594 997039643 /nfs/dbraw/zinc/03/96/43/997039643.db2.gz AGBPTHFJNJBNHZ-PMPSAXMXSA-N 1 1 403.592 3.660 20 30 HHEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3C[C@@H](C)[C@H](CO)C3)sc2C1 ZINC000484701594 997039651 /nfs/dbraw/zinc/03/96/51/997039651.db2.gz AGBPTHFJNJBNHZ-PMPSAXMXSA-N 1 1 403.592 3.660 20 30 HHEDMO 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COc1ccccc1-c1csc(C2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000485113168 997495568 /nfs/dbraw/zinc/49/55/68/997495568.db2.gz KZKFLGOCKNOVJT-MRXNPFEDSA-N 1 1 412.559 3.759 20 30 HHEDMO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485237569 997619001 /nfs/dbraw/zinc/61/90/01/997619001.db2.gz ZWBNPCBZNIDHTM-NGYIFUPDSA-N 1 1 402.542 3.554 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(F)cc3Br)C2=O)cc1 ZINC000485275506 997669794 /nfs/dbraw/zinc/66/97/94/997669794.db2.gz ULELYCPYSMYOJY-GOSISDBHSA-N 1 1 402.267 3.745 20 30 HHEDMO N#Cc1ccc(N2CC[C@@H](N3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)C2=O)cc1 ZINC000477064482 997710115 /nfs/dbraw/zinc/71/01/15/997710115.db2.gz KMOVDVFVQRSHPP-RSXGOPAZSA-N 1 1 414.553 3.652 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000485314059 997723832 /nfs/dbraw/zinc/72/38/32/997723832.db2.gz CMKFRUQMFCDUSY-GPMSIDNRSA-N 1 1 400.592 3.632 20 30 HHEDMO 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HHEDMO N#CC1(NC(=O)c2cc(Br)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000479237904 999339401 /nfs/dbraw/zinc/33/94/01/999339401.db2.gz DLVFIRWQDCNGFN-UHFFFAOYSA-N 1 1 404.333 3.799 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000479246798 999345176 /nfs/dbraw/zinc/34/51/76/999345176.db2.gz RSDLETVLABVIMY-JOCHJYFZSA-N 1 1 404.514 3.559 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000488332721 999444389 /nfs/dbraw/zinc/44/43/89/999444389.db2.gz TWFPCYRZUQWAKJ-IAGOWNOFSA-N 1 1 402.564 3.798 20 30 HHEDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1Br ZINC000488470293 999497422 /nfs/dbraw/zinc/49/74/22/999497422.db2.gz VHJNJKDYFCQTGK-BFUOFWGJSA-N 1 1 416.294 3.912 20 30 HHEDMO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000479612020 999500615 /nfs/dbraw/zinc/50/06/15/999500615.db2.gz OEVDOMDSJSDMPK-UHFFFAOYSA-N 1 1 420.557 3.774 20 30 HHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(C(=O)N(C)C)cc1 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XXBPYPFKPBMNRC-INIZCTEOSA-N 1 1 401.507 3.550 20 30 HHEDMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488920632 999647401 /nfs/dbraw/zinc/64/74/01/999647401.db2.gz RALGUUZQXGWYDX-APWZRJJASA-N 1 1 401.507 3.543 20 30 HHEDMO Cc1ccc2c(ncc(C#N)c2NC2CC[NH+](CCN(C)C)CC2)c1Br ZINC000479942637 999657020 /nfs/dbraw/zinc/65/70/20/999657020.db2.gz TUKXTDYOOORGST-UHFFFAOYSA-N 1 1 416.367 3.615 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)nnc1-c1ccco1 ZINC000479969279 999668465 /nfs/dbraw/zinc/66/84/65/999668465.db2.gz XHWRPZKRLFUCQY-KRWDZBQOSA-N 1 1 417.579 3.587 20 30 HHEDMO Cc1cc(N2CCC(Nc3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)nc(C)[nH+]1 ZINC000480053805 999703119 /nfs/dbraw/zinc/70/31/19/999703119.db2.gz HULDKHDXVUNECW-UHFFFAOYSA-N 1 1 415.545 3.972 20 30 HHEDMO C=CCCCS(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000489443900 999768859 /nfs/dbraw/zinc/76/88/59/999768859.db2.gz XBJOPNFBRCZDEN-SJLPKXTDSA-N 1 1 404.498 3.974 20 30 HHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000480391483 999787596 /nfs/dbraw/zinc/78/75/96/999787596.db2.gz DWNDXABCUCXDTQ-UHFFFAOYSA-N 1 1 412.578 3.761 20 30 HHEDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000489580902 999796630 /nfs/dbraw/zinc/79/66/30/999796630.db2.gz FSTYQGJELOHKDX-NYLDSWQDSA-N 1 1 407.518 3.627 20 30 HHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489651782 999810428 /nfs/dbraw/zinc/81/04/28/999810428.db2.gz UHFXVXBABNKKNB-CQSZACIVSA-N 1 1 417.282 3.706 20 30 HHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489651782 999810429 /nfs/dbraw/zinc/81/04/29/999810429.db2.gz UHFXVXBABNKKNB-CQSZACIVSA-N 1 1 417.282 3.706 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000490370690 999946391 /nfs/dbraw/zinc/94/63/91/999946391.db2.gz NAEPVRUYXOOSOI-INIZCTEOSA-N 1 1 424.932 3.698 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000491571081 1000084489 /nfs/dbraw/zinc/08/44/89/1000084489.db2.gz ZUUYWXAMFNBVSJ-FPOVZHCZSA-N 1 1 419.550 3.694 20 30 HHEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000492211011 1000115543 /nfs/dbraw/zinc/11/55/43/1000115543.db2.gz PJAAANQHHIUKLU-FXAWDEMLSA-N 1 1 406.486 3.917 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492542745 1000131660 /nfs/dbraw/zinc/13/16/60/1000131660.db2.gz UCKCMNHKWRPJQX-SFHVURJKSA-N 1 1 409.555 3.947 20 30 HHEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000492583539 1000133976 /nfs/dbraw/zinc/13/39/76/1000133976.db2.gz PXWATDWFZFIPMI-UHFFFAOYSA-N 1 1 414.303 3.877 20 30 HHEDMO COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCCN(c4ccccc4C#N)CC3)n2)cc1 ZINC000493571036 1000179586 /nfs/dbraw/zinc/17/95/86/1000179586.db2.gz DSVDLQVJSJCBRO-QGZVFWFLSA-N 1 1 403.486 3.890 20 30 HHEDMO COc1ccc(-c2noc([C@@H](C)[N@H+]3CCCN(c4ccccc4C#N)CC3)n2)cc1 ZINC000493571036 1000179588 /nfs/dbraw/zinc/17/95/88/1000179588.db2.gz DSVDLQVJSJCBRO-QGZVFWFLSA-N 1 1 403.486 3.890 20 30 HHEDMO N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504896638 1000434522 /nfs/dbraw/zinc/43/45/22/1000434522.db2.gz UOCBDVGYNKBTFY-QFIPXVFZSA-N 1 1 408.571 3.755 20 30 HHEDMO C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000504913611 1000445104 /nfs/dbraw/zinc/44/51/04/1000445104.db2.gz GOODONAPKOAWQS-SFHVURJKSA-N 1 1 408.571 3.537 20 30 HHEDMO CC(C)c1nc(C2CC[NH+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)no1 ZINC000505218353 1000625575 /nfs/dbraw/zinc/62/55/75/1000625575.db2.gz VJEWKXFCJIPIIB-JQHMZKTJSA-N 1 1 401.555 3.692 20 30 HHEDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494812983 1000671952 /nfs/dbraw/zinc/67/19/52/1000671952.db2.gz ZUURTDWPOHXZJS-OALUTQOASA-N 1 1 412.578 3.867 20 30 HHEDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494812986 1000672168 /nfs/dbraw/zinc/67/21/68/1000672168.db2.gz ZUURTDWPOHXZJS-RBUKOAKNSA-N 1 1 412.578 3.867 20 30 HHEDMO C[NH+]1CCN([C@H](C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c2ccccc2)CC1 ZINC000505313141 1000694563 /nfs/dbraw/zinc/69/45/63/1000694563.db2.gz DKVDDLMVBJTQOT-ICSRJNTNSA-N 1 1 417.340 3.663 20 30 HHEDMO CC(C)(C)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O ZINC000495450492 1001016861 /nfs/dbraw/zinc/01/68/61/1001016861.db2.gz QMALMSXCCNTFDP-ZWKOTPCHSA-N 1 1 403.592 3.946 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H](c4ccnn4C)C3)sc2C1 ZINC000505848811 1001059429 /nfs/dbraw/zinc/05/94/29/1001059429.db2.gz ZTYFLCASZGDHHS-HZPDHXFCSA-N 1 1 411.575 3.686 20 30 HHEDMO N#C[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000505947719 1001120686 /nfs/dbraw/zinc/12/06/86/1001120686.db2.gz KBJNXNUNGNQXJA-FXAWDEMLSA-N 1 1 418.324 3.965 20 30 HHEDMO N#C[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000505947719 1001120688 /nfs/dbraw/zinc/12/06/88/1001120688.db2.gz KBJNXNUNGNQXJA-FXAWDEMLSA-N 1 1 418.324 3.965 20 30 HHEDMO 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C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H](C)O1 ZINC000540873073 1011551380 /nfs/dbraw/zinc/55/13/80/1011551380.db2.gz DDIFHOYDOXHPPU-QZTJIDSGSA-N 1 1 407.514 3.968 20 30 HHEDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000536435778 1011658160 /nfs/dbraw/zinc/65/81/60/1011658160.db2.gz GHOYNDLXTHVWLV-GOSISDBHSA-N 1 1 413.905 3.533 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C)C1 ZINC000541105302 1011752503 /nfs/dbraw/zinc/75/25/03/1011752503.db2.gz JLPITFFTQQNHJP-YOEHRIQHSA-N 1 1 400.914 3.591 20 30 HHEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000541141867 1011800466 /nfs/dbraw/zinc/80/04/66/1011800466.db2.gz NUOIWADLQIMZAT-QGZVFWFLSA-N 1 1 420.904 3.643 20 30 HHEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000536697573 1011866905 /nfs/dbraw/zinc/86/69/05/1011866905.db2.gz NHAUNRVRFCQMJJ-GOSISDBHSA-N 1 1 411.468 3.992 20 30 HHEDMO CCc1cccc2c1OCC[C@@H]2NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000523626378 1012207443 /nfs/dbraw/zinc/20/74/43/1012207443.db2.gz BLXVOJDLCGIBBU-QHCPKHFHSA-N 1 1 418.541 3.862 20 30 HHEDMO O=C(C[N@H+]1CC[C@H](c2cccc(F)c2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000552198447 1012209015 /nfs/dbraw/zinc/20/90/15/1012209015.db2.gz WGPLQAJYLPKDRZ-SFHVURJKSA-N 1 1 404.407 3.802 20 30 HHEDMO O=C(C[N@@H+]1CC[C@H](c2cccc(F)c2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000552198447 1012209020 /nfs/dbraw/zinc/20/90/20/1012209020.db2.gz WGPLQAJYLPKDRZ-SFHVURJKSA-N 1 1 404.407 3.802 20 30 HHEDMO C=CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000552242850 1012252889 /nfs/dbraw/zinc/25/28/89/1012252889.db2.gz GCJLHMBGWIXEJG-MRXNPFEDSA-N 1 1 408.462 3.718 20 30 HHEDMO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000552242850 1012252900 /nfs/dbraw/zinc/25/29/00/1012252900.db2.gz GCJLHMBGWIXEJG-MRXNPFEDSA-N 1 1 408.462 3.718 20 30 HHEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000536977116 1012275251 /nfs/dbraw/zinc/27/52/51/1012275251.db2.gz DOGCVYLJSDNCDW-RPWUZVMVSA-N 1 1 418.541 3.668 20 30 HHEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000536991784 1012293719 /nfs/dbraw/zinc/29/37/19/1012293719.db2.gz CVWQCUIKRJUHOC-UHFFFAOYSA-N 1 1 410.493 3.574 20 30 HHEDMO N#Cc1ccc([C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)C(N)=O)cc1 ZINC000523736184 1012354885 /nfs/dbraw/zinc/35/48/85/1012354885.db2.gz UAXLUDVCWQTVGT-VWLOTQADSA-N 1 1 421.504 3.786 20 30 HHEDMO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)C(=O)N(C)CCC#N ZINC000541639328 1012455231 /nfs/dbraw/zinc/45/52/31/1012455231.db2.gz GSFGTUWISDRJCI-QWHCGFSZSA-N 1 1 421.364 3.984 20 30 HHEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](COCc2ccccc2)c2ccccc2)cc1 ZINC000537141613 1012532733 /nfs/dbraw/zinc/53/27/33/1012532733.db2.gz CWJXQQASNZRNCG-DEOSSOPVSA-N 1 1 420.534 3.880 20 30 HHEDMO Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)c(C)c1 ZINC000537154322 1012550887 /nfs/dbraw/zinc/55/08/87/1012550887.db2.gz GYCPOGPAPUCQIW-HSZRJFAPSA-N 1 1 419.550 3.985 20 30 HHEDMO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1cccc(Cl)c1 ZINC000537162727 1012564130 /nfs/dbraw/zinc/56/41/30/1012564130.db2.gz UUPFNPQWIBDMKL-IBGZPJMESA-N 1 1 416.978 3.632 20 30 HHEDMO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1cccc(Cl)c1 ZINC000537162727 1012564145 /nfs/dbraw/zinc/56/41/45/1012564145.db2.gz UUPFNPQWIBDMKL-IBGZPJMESA-N 1 1 416.978 3.632 20 30 HHEDMO C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H](c2ccco2)C1 ZINC000537167526 1012571124 /nfs/dbraw/zinc/57/11/24/1012571124.db2.gz OOBQXHLLVDLLSO-GUDVDZBRSA-N 1 1 412.559 3.523 20 30 HHEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H](c2ccco2)C1 ZINC000537167526 1012571134 /nfs/dbraw/zinc/57/11/34/1012571134.db2.gz OOBQXHLLVDLLSO-GUDVDZBRSA-N 1 1 412.559 3.523 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000537333460 1012790485 /nfs/dbraw/zinc/79/04/85/1012790485.db2.gz IXZLZJOCGUPUBR-KRWDZBQOSA-N 1 1 404.580 3.760 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000541982452 1012856393 /nfs/dbraw/zinc/85/63/93/1012856393.db2.gz GDWNPQBALMEKET-KRWDZBQOSA-N 1 1 421.360 3.989 20 30 HHEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000542025752 1012919815 /nfs/dbraw/zinc/91/98/15/1012919815.db2.gz FIALOZMEPALPDD-KXBFYZLASA-N 1 1 424.936 3.878 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)C2=O)cc1 ZINC000542056666 1012971257 /nfs/dbraw/zinc/97/12/57/1012971257.db2.gz CSRGZSHBKBHCBM-QZTJIDSGSA-N 1 1 417.435 3.606 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553032855 1013009835 /nfs/dbraw/zinc/00/98/35/1013009835.db2.gz BGXKIEFQMQXNMC-UGKGYDQZSA-N 1 1 420.532 3.647 20 30 HHEDMO Cc1cc(NC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1CCC#N ZINC000537515840 1013029184 /nfs/dbraw/zinc/02/91/84/1013029184.db2.gz XJCVCUMGQBBHLV-HDICACEKSA-N 1 1 408.550 3.905 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000488224658 1072146420 /nfs/dbraw/zinc/14/64/20/1072146420.db2.gz SAFDEWVTDUXXDB-HNNXBMFYSA-N 1 1 414.550 3.787 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000488224658 1072146424 /nfs/dbraw/zinc/14/64/24/1072146424.db2.gz SAFDEWVTDUXXDB-HNNXBMFYSA-N 1 1 414.550 3.787 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000611934699 1072159435 /nfs/dbraw/zinc/15/94/35/1072159435.db2.gz BNZSXGKYFOPYGZ-INIZCTEOSA-N 1 1 403.486 3.659 20 30 HHEDMO COc1ccc(-c2n[nH]c(CNC(NCCc3cccs3)=[NH+]C(C)(C)C)n2)cc1 ZINC000912506480 1072243885 /nfs/dbraw/zinc/24/38/85/1072243885.db2.gz OHKIJRPTDGNGNS-UHFFFAOYSA-N 1 1 412.563 3.618 20 30 HHEDMO N#CCOc1cccc(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000760387907 1072303453 /nfs/dbraw/zinc/30/34/53/1072303453.db2.gz VUOVDWVJSXGXNL-OAQYLSRUSA-N 1 1 411.933 3.956 20 30 HHEDMO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000555247762 1073290348 /nfs/dbraw/zinc/29/03/48/1073290348.db2.gz IDIRVJJZOAOVTQ-UHFFFAOYSA-N 1 1 413.614 3.664 20 30 HHEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000555264047 1073295845 /nfs/dbraw/zinc/29/58/45/1073295845.db2.gz LYIHSELBXYUEKV-HNNXBMFYSA-N 1 1 421.387 3.780 20 30 HHEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000555273626 1073312577 /nfs/dbraw/zinc/31/25/77/1073312577.db2.gz WPKCKAJVEPEQEV-UHFFFAOYSA-N 1 1 418.545 3.637 20 30 HHEDMO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000555343868 1073355356 /nfs/dbraw/zinc/35/53/56/1073355356.db2.gz DIGXMTDBFYZTME-IRLDBZIGSA-N 1 1 404.562 3.926 20 30 HHEDMO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000555343869 1073355439 /nfs/dbraw/zinc/35/54/39/1073355439.db2.gz DIGXMTDBFYZTME-RBBKRZOGSA-N 1 1 404.562 3.926 20 30 HHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)C1 ZINC000555356686 1073368055 /nfs/dbraw/zinc/36/80/55/1073368055.db2.gz MWGAZSODTNYTQU-HXUWFJFHSA-N 1 1 410.566 3.553 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@H]4C[N@@H+](C)C[C@H]43)sc2C1 ZINC000590010634 1073449358 /nfs/dbraw/zinc/44/93/58/1073449358.db2.gz RFPZIQRMBSCZDI-FRQCXROJSA-N 1 1 414.619 3.735 20 30 HHEDMO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000590041985 1073500480 /nfs/dbraw/zinc/50/04/80/1073500480.db2.gz KTHRUPJIELTCKO-XMMPIXPASA-N 1 1 411.509 3.655 20 30 HHEDMO N#Cc1ccncc1N1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000590053267 1073528918 /nfs/dbraw/zinc/52/89/18/1073528918.db2.gz JTZWMKYKHUKLLE-UHFFFAOYSA-N 1 1 421.508 3.523 20 30 HHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000590289395 1073708396 /nfs/dbraw/zinc/70/83/96/1073708396.db2.gz FDMQUIWUFLOQJO-OAHLLOKOSA-N 1 1 402.420 3.709 20 30 HHEDMO COc1cc(C[NH2+]CC2(C#N)CC2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000572938525 1073878987 /nfs/dbraw/zinc/87/89/87/1073878987.db2.gz COKLMKIFYWYHFN-UHFFFAOYSA-N 1 1 417.868 3.899 20 30 HHEDMO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000555991491 1074022465 /nfs/dbraw/zinc/02/24/65/1074022465.db2.gz WLVMMPCDJYDZBH-NRFANRHFSA-N 1 1 419.569 3.892 20 30 HHEDMO C=CCN(CC=C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000573407173 1074398779 /nfs/dbraw/zinc/39/87/79/1074398779.db2.gz HHNLDLRWYZZSCA-KRIYCRJKSA-N 1 1 415.965 3.571 20 30 HHEDMO COc1ccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000573988233 1074749314 /nfs/dbraw/zinc/74/93/14/1074749314.db2.gz CFWGQXRKGXXBIA-WPSZSDGUSA-N 1 1 413.562 3.893 20 30 HHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000574181080 1075171228 /nfs/dbraw/zinc/17/12/28/1075171228.db2.gz RXHSKRSRVLFQEJ-HXUWFJFHSA-N 1 1 400.542 3.540 20 30 HHEDMO N#Cc1ccc(Oc2cccc(NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)c2)cc1 ZINC000574216090 1075177673 /nfs/dbraw/zinc/17/76/73/1075177673.db2.gz GTTAOXPHJYXUKW-VWLOTQADSA-N 1 1 413.477 3.926 20 30 HHEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213498 1075544519 /nfs/dbraw/zinc/54/45/19/1075544519.db2.gz RPQSRBXLUYVIFC-YADARESESA-N 1 1 418.545 3.725 20 30 HHEDMO C=CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213498 1075544522 /nfs/dbraw/zinc/54/45/22/1075544522.db2.gz RPQSRBXLUYVIFC-YADARESESA-N 1 1 418.545 3.725 20 30 HHEDMO O=C(NCc1nc(-c2ccncc2)no1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000328606699 569418571 /nfs/dbraw/zinc/41/85/71/569418571.db2.gz SLIJBQVIXUKGNR-AUSIDOKSSA-N 1 1 403.486 3.890 20 30 HHEDMO Cc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)cc1C#N ZINC001164705877 719906868 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N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](COc2ccccc2)c2ccccc2)cc1 ZINC000538216861 1013768281 /nfs/dbraw/zinc/76/82/81/1013768281.db2.gz RZCXTBDDKVUCCF-HSZRJFAPSA-N 1 1 406.507 3.742 20 30 HHEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000047128601 968062087 /nfs/dbraw/zinc/06/20/87/968062087.db2.gz AUXYCHDGFARHCQ-OALUTQOASA-N 1 1 406.530 3.509 20 30 HHEDMO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048121959 968439588 /nfs/dbraw/zinc/43/95/88/968439588.db2.gz CFHDZRKTFATDHX-MBSDFSHPSA-N 1 1 416.525 3.501 20 30 HHEDMO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048121959 968439593 /nfs/dbraw/zinc/43/95/93/968439593.db2.gz CFHDZRKTFATDHX-MBSDFSHPSA-N 1 1 416.525 3.501 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000048160568 968463539 /nfs/dbraw/zinc/46/35/39/968463539.db2.gz YQDCUDYRLAPRIA-UHFFFAOYSA-N 1 1 406.530 3.561 20 30 HHEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](COCc2ccccc2)c2ccccc2)c1 ZINC000538257986 1013799353 /nfs/dbraw/zinc/79/93/53/1013799353.db2.gz NHMUYMNPPNBENU-DEOSSOPVSA-N 1 1 420.534 3.880 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000554142990 1013820160 /nfs/dbraw/zinc/82/01/60/1013820160.db2.gz RMZNMIZKFUNOAD-FQEVSTJZSA-N 1 1 410.905 3.668 20 30 HHEDMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000069221414 968820951 /nfs/dbraw/zinc/82/09/51/968820951.db2.gz FDPOHAITOVPTSX-UHFFFAOYSA-N 1 1 402.292 3.579 20 30 HHEDMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000069221414 968820956 /nfs/dbraw/zinc/82/09/56/968820956.db2.gz FDPOHAITOVPTSX-UHFFFAOYSA-N 1 1 402.292 3.579 20 30 HHEDMO C=CCOc1cccc(NC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000554180003 1013839838 /nfs/dbraw/zinc/83/98/38/1013839838.db2.gz UOISEFJYMUVHSS-QHCPKHFHSA-N 1 1 420.557 3.675 20 30 HHEDMO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000078551184 969003325 /nfs/dbraw/zinc/00/33/25/969003325.db2.gz VYEZVCOXKIDUBJ-UHFFFAOYSA-N 1 1 405.420 3.916 20 30 HHEDMO N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000078994824 969026770 /nfs/dbraw/zinc/02/67/70/969026770.db2.gz UWJLXZHYVXXQMF-LJQANCHMSA-N 1 1 421.566 3.894 20 30 HHEDMO C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000097061461 969086539 /nfs/dbraw/zinc/08/65/39/969086539.db2.gz WOFDOHFJPMKRBX-UWJYYQICSA-N 1 1 420.582 3.703 20 30 HHEDMO C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000097061454 969086600 /nfs/dbraw/zinc/08/66/00/969086600.db2.gz WOFDOHFJPMKRBX-DYESRHJHSA-N 1 1 420.582 3.703 20 30 HHEDMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2)CC1 ZINC000108598055 969398757 /nfs/dbraw/zinc/39/87/57/969398757.db2.gz HVERGHLQKODOGE-DEOSSOPVSA-N 1 1 420.557 3.738 20 30 HHEDMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2)CC1 ZINC000108598051 969398851 /nfs/dbraw/zinc/39/88/51/969398851.db2.gz HVERGHLQKODOGE-XMMPIXPASA-N 1 1 420.557 3.738 20 30 HHEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000110986426 969754121 /nfs/dbraw/zinc/75/41/21/969754121.db2.gz XMGUDIBBTLRDDN-DOTOQJQBSA-N 1 1 404.942 3.557 20 30 HHEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000115731875 969851193 /nfs/dbraw/zinc/85/11/93/969851193.db2.gz HKAKANPLZKJLSD-KDURUIRLSA-N 1 1 421.541 3.755 20 30 HHEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000115731875 969851201 /nfs/dbraw/zinc/85/12/01/969851201.db2.gz HKAKANPLZKJLSD-KDURUIRLSA-N 1 1 421.541 3.755 20 30 HHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2c(c(Br)c1)OCO2 ZINC000195674352 969947569 /nfs/dbraw/zinc/94/75/69/969947569.db2.gz KYQXNZBJNZMDSE-UHFFFAOYSA-N 1 1 403.276 3.698 20 30 HHEDMO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CCCCC1 ZINC000195674008 969947889 /nfs/dbraw/zinc/94/78/89/969947889.db2.gz GUECYNPHXYSBQF-IBGZPJMESA-N 1 1 412.578 3.868 20 30 HHEDMO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000139234118 970025397 /nfs/dbraw/zinc/02/53/97/970025397.db2.gz ZWXZSOUVCBRPNP-UHFFFAOYSA-N 1 1 402.473 3.994 20 30 HHEDMO C=C(C)CN1CCC([NH2+]Cc2cc(Br)ccc2OCCOCC)CC1 ZINC000236948557 970192584 /nfs/dbraw/zinc/19/25/84/970192584.db2.gz MJYNMTRRGRSBKA-UHFFFAOYSA-N 1 1 411.384 3.995 20 30 HHEDMO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000236949886 970193056 /nfs/dbraw/zinc/19/30/56/970193056.db2.gz BDORFKOICNTQCQ-NRFANRHFSA-N 1 1 406.574 3.500 20 30 HHEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379704727 972774102 /nfs/dbraw/zinc/77/41/02/972774102.db2.gz KIHWVTTXWVLBLW-YJBOKZPZSA-N 1 1 403.935 3.543 20 30 HHEDMO N#Cc1cccc(-n2ccc(C(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)n2)c1 ZINC000409453722 972896805 /nfs/dbraw/zinc/89/68/05/972896805.db2.gz QCMBZGYXKVLBMQ-QFIPXVFZSA-N 1 1 419.916 3.964 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000409518133 972973064 /nfs/dbraw/zinc/97/30/64/972973064.db2.gz KPPGCMFPRVSKJG-SJORKVTESA-N 1 1 410.331 3.913 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000409520371 972975922 /nfs/dbraw/zinc/97/59/22/972975922.db2.gz LESLROQKQIHROG-CQSZACIVSA-N 1 1 410.331 3.770 20 30 HHEDMO C[C@H]1C[C@H](N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@H+]1Cc1ccccc1 ZINC000409744061 973219962 /nfs/dbraw/zinc/21/99/62/973219962.db2.gz CSZACBXLOZLSDU-SIKLNZKXSA-N 1 1 413.525 3.869 20 30 HHEDMO C[C@@H]1C[C@@H](CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[N@H+]1Cc1ccccc1 ZINC000409860821 973329041 /nfs/dbraw/zinc/32/90/41/973329041.db2.gz RPKQIDXZGGGNHL-DENIHFKCSA-N 1 1 413.525 3.774 20 30 HHEDMO C[C@@H]1C[C@H](CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[N@H+]1Cc1ccccc1 ZINC000409860822 973329158 /nfs/dbraw/zinc/32/91/58/973329158.db2.gz RPKQIDXZGGGNHL-KNQAVFIVSA-N 1 1 413.525 3.774 20 30 HHEDMO N#CC1(CCC[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CCOCC1 ZINC000410322671 973870790 /nfs/dbraw/zinc/87/07/90/973870790.db2.gz XIVWTXUXYCIPSI-UHFFFAOYSA-N 1 1 409.452 3.564 20 30 HHEDMO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000426464618 974466551 /nfs/dbraw/zinc/46/65/51/974466551.db2.gz ZUAKFVDXNBRQIR-HSZRJFAPSA-N 1 1 412.509 3.528 20 30 HHEDMO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000426464618 974466557 /nfs/dbraw/zinc/46/65/57/974466557.db2.gz ZUAKFVDXNBRQIR-HSZRJFAPSA-N 1 1 412.509 3.528 20 30 HHEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000426565963 974532931 /nfs/dbraw/zinc/53/29/31/974532931.db2.gz DCMSEOAZAMIHEF-HXUWFJFHSA-N 1 1 405.542 3.822 20 30 HHEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000426752953 974636551 /nfs/dbraw/zinc/63/65/51/974636551.db2.gz BNMUSHJXLCRZPX-QGZVFWFLSA-N 1 1 402.947 3.924 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@H]1C ZINC000426985077 974800132 /nfs/dbraw/zinc/80/01/32/974800132.db2.gz DQRJPHKYCHVEPI-XLIONFOSSA-N 1 1 420.513 3.620 20 30 HHEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000427928147 975354247 /nfs/dbraw/zinc/35/42/47/975354247.db2.gz KWXKZCDSORQUOC-SFHVURJKSA-N 1 1 404.514 3.627 20 30 HHEDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000428785013 976060234 /nfs/dbraw/zinc/06/02/34/976060234.db2.gz TYJGULKGFRZYEI-VWLOTQADSA-N 1 1 415.493 3.554 20 30 HHEDMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc2ccccc2c1 ZINC000428817486 976097293 /nfs/dbraw/zinc/09/72/93/976097293.db2.gz ZPICNVKLVOBLLD-IUKKYPGJSA-N 1 1 414.509 3.825 20 30 HHEDMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc2ccccc2c1 ZINC000428817486 976097305 /nfs/dbraw/zinc/09/73/05/976097305.db2.gz ZPICNVKLVOBLLD-IUKKYPGJSA-N 1 1 414.509 3.825 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1Cl ZINC000428992291 976273254 /nfs/dbraw/zinc/27/32/54/976273254.db2.gz JZUFIKLGFQIGGM-YRISNDGFSA-N 1 1 402.970 3.557 20 30 HHEDMO N#Cc1ccc(CN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C2CC2)cc1 ZINC000429041805 976326267 /nfs/dbraw/zinc/32/62/67/976326267.db2.gz MISASFFKDXCPDT-HSZRJFAPSA-N 1 1 420.582 3.850 20 30 HHEDMO N#Cc1ccc(CN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C2CC2)cc1 ZINC000429041805 976326279 /nfs/dbraw/zinc/32/62/79/976326279.db2.gz MISASFFKDXCPDT-HSZRJFAPSA-N 1 1 420.582 3.850 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1C#N ZINC000429248798 976537864 /nfs/dbraw/zinc/53/78/64/976537864.db2.gz XJUATYFSEUQTKG-JOCHJYFZSA-N 1 1 420.557 3.712 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)c1C#N ZINC000429248798 976537876 /nfs/dbraw/zinc/53/78/76/976537876.db2.gz XJUATYFSEUQTKG-JOCHJYFZSA-N 1 1 420.557 3.712 20 30 HHEDMO COc1ccccc1[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[NH+](C)C ZINC000429736234 977027057 /nfs/dbraw/zinc/02/70/57/977027057.db2.gz ODHSJFOSWZNGHN-OAQYLSRUSA-N 1 1 417.513 3.505 20 30 HHEDMO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000430095814 977317124 /nfs/dbraw/zinc/31/71/24/977317124.db2.gz CFCJIUHZPUTMPC-QFIPXVFZSA-N 1 1 412.555 3.926 20 30 HHEDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000430095814 977317131 /nfs/dbraw/zinc/31/71/31/977317131.db2.gz CFCJIUHZPUTMPC-QFIPXVFZSA-N 1 1 412.555 3.926 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)nc1 ZINC000430185813 977378008 /nfs/dbraw/zinc/37/80/08/977378008.db2.gz KHDNDKYKECLOBV-QHCPKHFHSA-N 1 1 422.492 3.854 20 30 HHEDMO Cn1cc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c(-c2ccc(C#N)cc2)n1 ZINC000430322659 977476136 /nfs/dbraw/zinc/47/61/36/977476136.db2.gz NKSCLSRPVUNUKM-UHFFFAOYSA-N 1 1 408.509 3.994 20 30 HHEDMO CN(C(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000430588946 977646610 /nfs/dbraw/zinc/64/66/10/977646610.db2.gz BIRZNWZDOWETBU-FQEVSTJZSA-N 1 1 422.554 3.721 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430642650 977664691 /nfs/dbraw/zinc/66/46/91/977664691.db2.gz VSXRRHSLNNLNNK-KNQAVFIVSA-N 1 1 421.541 3.895 20 30 HHEDMO C=CCc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000430664977 977676034 /nfs/dbraw/zinc/67/60/34/977676034.db2.gz JSDZBBTWLRMEOL-SIKLNZKXSA-N 1 1 408.542 3.972 20 30 HHEDMO CC1(C)C[N@H+](C2(CNC(=O)c3cccc(SCC#N)c3)CCCCC2)CCO1 ZINC000430692188 977698062 /nfs/dbraw/zinc/69/80/62/977698062.db2.gz QORHDKZKGXALDI-UHFFFAOYSA-N 1 1 401.576 3.846 20 30 HHEDMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000431377987 978252000 /nfs/dbraw/zinc/25/20/00/978252000.db2.gz QTLQCGHBYKEHTE-XMSQKQJNSA-N 1 1 418.541 3.596 20 30 HHEDMO CC(C)(C)[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccc(F)cc1 ZINC000431999001 978638508 /nfs/dbraw/zinc/63/85/08/978638508.db2.gz BEEWEYPXDFHBCH-UHFFFAOYSA-N 1 1 402.495 3.827 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000432548830 978880248 /nfs/dbraw/zinc/88/02/48/978880248.db2.gz ZFETYCZCNJJDCG-UHFFFAOYSA-N 1 1 422.554 3.855 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@@H](O)Cc3ccccc3)sc2C1 ZINC000433065379 979056333 /nfs/dbraw/zinc/05/63/33/979056333.db2.gz CGAHMXWUEKCSIX-WMZOPIPTSA-N 1 1 411.571 3.609 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686590 980338677 /nfs/dbraw/zinc/33/86/77/980338677.db2.gz ADKXXOFDCMRYIA-OAHLLOKOSA-N 1 1 423.586 3.848 20 30 HHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000434883221 980466709 /nfs/dbraw/zinc/46/67/09/980466709.db2.gz MHUSDVZNTKUXDJ-HUUCEWRRSA-N 1 1 411.449 3.653 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434896505 980477396 /nfs/dbraw/zinc/47/73/96/980477396.db2.gz QWAHLUSVSZBSNW-FPOVZHCZSA-N 1 1 408.546 3.830 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434896503 980477549 /nfs/dbraw/zinc/47/75/49/980477549.db2.gz QWAHLUSVSZBSNW-CTNGQTDRSA-N 1 1 408.546 3.830 20 30 HHEDMO N#CCCn1cc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000434985053 980550239 /nfs/dbraw/zinc/55/02/39/980550239.db2.gz FPLKHUFHBZTBAV-QHCPKHFHSA-N 1 1 401.514 3.692 20 30 HHEDMO N#CCCn1cc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000434985053 980550243 /nfs/dbraw/zinc/55/02/43/980550243.db2.gz FPLKHUFHBZTBAV-QHCPKHFHSA-N 1 1 401.514 3.692 20 30 HHEDMO Cn1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000434986219 980551121 /nfs/dbraw/zinc/55/11/21/980551121.db2.gz FVDZZSHCDOIFAX-UHFFFAOYSA-N 1 1 406.461 3.891 20 30 HHEDMO Cn1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000434986219 980551127 /nfs/dbraw/zinc/55/11/27/980551127.db2.gz FVDZZSHCDOIFAX-UHFFFAOYSA-N 1 1 406.461 3.891 20 30 HHEDMO CCc1nc(C[NH+]2CCC(CNC(=O)C3(c4cccc(C#N)c4)CC3)CC2)cs1 ZINC000435001944 980562041 /nfs/dbraw/zinc/56/20/41/980562041.db2.gz XTRGSGGIXSIJEW-UHFFFAOYSA-N 1 1 408.571 3.637 20 30 HHEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435128455 980659860 /nfs/dbraw/zinc/65/98/60/980659860.db2.gz HXBHLYABDTZUHL-UHFFFAOYSA-N 1 1 416.529 3.936 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435128455 980659864 /nfs/dbraw/zinc/65/98/64/980659864.db2.gz HXBHLYABDTZUHL-UHFFFAOYSA-N 1 1 416.529 3.936 20 30 HHEDMO CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435133945 980665665 /nfs/dbraw/zinc/66/56/65/980665665.db2.gz UIBFDGFAMUXTGP-QHCPKHFHSA-N 1 1 400.530 3.565 20 30 HHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000435133945 980665670 /nfs/dbraw/zinc/66/56/70/980665670.db2.gz UIBFDGFAMUXTGP-QHCPKHFHSA-N 1 1 400.530 3.565 20 30 HHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000435133945 980665678 /nfs/dbraw/zinc/66/56/78/980665678.db2.gz UIBFDGFAMUXTGP-QHCPKHFHSA-N 1 1 400.530 3.565 20 30 HHEDMO Cc1cc(NC(=O)COc2ccccc2C#N)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435265204 980749236 /nfs/dbraw/zinc/74/92/36/980749236.db2.gz FGCVLEUXTFCRLF-NRFANRHFSA-N 1 1 415.497 3.528 20 30 HHEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435375957 980825650 /nfs/dbraw/zinc/82/56/50/980825650.db2.gz XFAXVZHAWNYHTL-NQIIRXRSSA-N 1 1 415.497 3.608 20 30 HHEDMO Cc1cc(NC(=O)CNc2ccc(C#N)cc2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435692973 980989462 /nfs/dbraw/zinc/98/94/62/980989462.db2.gz HQZJLNLIXIIKPY-QFIPXVFZSA-N 1 1 414.513 3.561 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)[C@H](CO)c2ccccc2)c1C#N ZINC000436263149 981275691 /nfs/dbraw/zinc/27/56/91/981275691.db2.gz SIARQUFQHKSLTL-JOCHJYFZSA-N 1 1 420.488 3.709 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)[C@H](CO)c2ccccc2)c1C#N ZINC000436263149 981275695 /nfs/dbraw/zinc/27/56/95/981275695.db2.gz SIARQUFQHKSLTL-JOCHJYFZSA-N 1 1 420.488 3.709 20 30 HHEDMO CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2F)CC1 ZINC000436338349 981310067 /nfs/dbraw/zinc/31/00/67/981310067.db2.gz PMLPWRLKTZJBRH-JTHBVZDNSA-N 1 1 420.532 3.880 20 30 HHEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000436504388 981406415 /nfs/dbraw/zinc/40/64/15/981406415.db2.gz NDPYBJNQLYKQBL-UHFFFAOYSA-N 1 1 409.534 3.698 20 30 HHEDMO CN(CCCN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)CC[NH+](C)C ZINC000436504388 981406418 /nfs/dbraw/zinc/40/64/18/981406418.db2.gz NDPYBJNQLYKQBL-UHFFFAOYSA-N 1 1 409.534 3.698 20 30 HHEDMO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448378408 981735454 /nfs/dbraw/zinc/73/54/54/981735454.db2.gz YYVXXDJYLRTDET-RDPSFJRHSA-N 1 1 400.526 3.962 20 30 HHEDMO CCn1c(-c2cc(C)oc2C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460196385 981971009 /nfs/dbraw/zinc/97/10/09/981971009.db2.gz HCQATKJLMDLPHC-UHFFFAOYSA-N 1 1 404.518 3.759 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460383142 982161663 /nfs/dbraw/zinc/16/16/63/982161663.db2.gz DFDTZNXOIZDCDF-UYAOXDASSA-N 1 1 408.550 3.614 20 30 HHEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460383703 982162403 /nfs/dbraw/zinc/16/24/03/982162403.db2.gz CNIBLUBENJMIGZ-UHFFFAOYSA-N 1 1 413.529 3.500 20 30 HHEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460386644 982165945 /nfs/dbraw/zinc/16/59/45/982165945.db2.gz IXKCBDOIQIGAGB-GOEBONIOSA-N 1 1 421.387 3.921 20 30 HHEDMO N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)s2)cc1 ZINC000437542631 982172169 /nfs/dbraw/zinc/17/21/69/982172169.db2.gz WZHKTCHFSOQEBH-IBGZPJMESA-N 1 1 409.559 3.992 20 30 HHEDMO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460542155 982329351 /nfs/dbraw/zinc/32/93/51/982329351.db2.gz IJJKLWXJPUOYLH-PKOBYXMFSA-N 1 1 413.566 3.705 20 30 HHEDMO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000460562796 982348241 /nfs/dbraw/zinc/34/82/41/982348241.db2.gz IGOFFYGDOCJNDM-DHIUTWEWSA-N 1 1 422.621 3.612 20 30 HHEDMO CC(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460641019 982415773 /nfs/dbraw/zinc/41/57/73/982415773.db2.gz VOCCRDVLGVCQFG-UHFFFAOYSA-N 1 1 403.534 3.513 20 30 HHEDMO N#Cc1cccc(Oc2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2)c1 ZINC000438050048 982552035 /nfs/dbraw/zinc/55/20/35/982552035.db2.gz MKMFPVCXKSYIDC-FQEVSTJZSA-N 1 1 408.502 3.709 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460937991 982675897 /nfs/dbraw/zinc/67/58/97/982675897.db2.gz PLDBWFWPXYAVQK-KRWDZBQOSA-N 1 1 401.942 3.856 20 30 HHEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460941840 982679630 /nfs/dbraw/zinc/67/96/30/982679630.db2.gz UXGBWRVLYLYAHQ-UHFFFAOYSA-N 1 1 402.546 3.937 20 30 HHEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460942917 982679998 /nfs/dbraw/zinc/67/99/98/982679998.db2.gz GEIJVUBFMRLUKK-SZPZYZBQSA-N 1 1 417.557 3.801 20 30 HHEDMO C[N@H+](CCNC(=O)C1CCN(CC#Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000438313451 982717239 /nfs/dbraw/zinc/71/72/39/982717239.db2.gz FCMYWOQLDURSNW-UHFFFAOYSA-N 1 1 423.988 3.652 20 30 HHEDMO C[N@@H+](CCNC(=O)C1CCN(CC#Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000438313451 982717244 /nfs/dbraw/zinc/71/72/44/982717244.db2.gz FCMYWOQLDURSNW-UHFFFAOYSA-N 1 1 423.988 3.652 20 30 HHEDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000438506115 982846275 /nfs/dbraw/zinc/84/62/75/982846275.db2.gz PGKNMQHKDYBPBM-SFHVURJKSA-N 1 1 412.578 3.868 20 30 HHEDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000438506114 982846490 /nfs/dbraw/zinc/84/64/90/982846490.db2.gz PGKNMQHKDYBPBM-GOSISDBHSA-N 1 1 412.578 3.868 20 30 HHEDMO N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000438614746 982938629 /nfs/dbraw/zinc/93/86/29/982938629.db2.gz QADAWQSGKVBXNP-LZBANZJXSA-N 1 1 422.504 3.563 20 30 HHEDMO N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000438614746 982938634 /nfs/dbraw/zinc/93/86/34/982938634.db2.gz QADAWQSGKVBXNP-LZBANZJXSA-N 1 1 422.504 3.563 20 30 HHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438646649 982964990 /nfs/dbraw/zinc/96/49/90/982964990.db2.gz MNGWFEXXOWNFKZ-IYBDPMFKSA-N 1 1 423.483 3.599 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000438659218 982976769 /nfs/dbraw/zinc/97/67/69/982976769.db2.gz XQOIBBSFRGUZMM-SIKLNZKXSA-N 1 1 421.541 3.874 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000438659219 982976992 /nfs/dbraw/zinc/97/69/92/982976992.db2.gz XQOIBBSFRGUZMM-UGKGYDQZSA-N 1 1 421.541 3.874 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000438693428 983006142 /nfs/dbraw/zinc/00/61/42/983006142.db2.gz FRZQQKYZMZXOCH-NRFANRHFSA-N 1 1 405.502 3.563 20 30 HHEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461424395 983087476 /nfs/dbraw/zinc/08/74/76/983087476.db2.gz GDTDTVZWSZDXDY-ARNLJNQMSA-N 1 1 417.553 3.942 20 30 HHEDMO CC(C)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000439243455 983328377 /nfs/dbraw/zinc/32/83/77/983328377.db2.gz CDAZDFXOIIVHOV-UHFFFAOYSA-N 1 1 406.486 3.938 20 30 HHEDMO CC(C)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000439243455 983328383 /nfs/dbraw/zinc/32/83/83/983328383.db2.gz CDAZDFXOIIVHOV-UHFFFAOYSA-N 1 1 406.486 3.938 20 30 HHEDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3Cl)C2)cc1 ZINC000439447093 983413745 /nfs/dbraw/zinc/41/37/45/983413745.db2.gz FMGRTVMIISGCPJ-SFHVURJKSA-N 1 1 417.962 3.711 20 30 HHEDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)cc1 ZINC000439447093 983413748 /nfs/dbraw/zinc/41/37/48/983413748.db2.gz FMGRTVMIISGCPJ-SFHVURJKSA-N 1 1 417.962 3.711 20 30 HHEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000439471169 983423354 /nfs/dbraw/zinc/42/33/54/983423354.db2.gz QHPULISBSUZRDV-YCRPNKLZSA-N 1 1 403.910 3.594 20 30 HHEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000439471169 983423358 /nfs/dbraw/zinc/42/33/58/983423358.db2.gz QHPULISBSUZRDV-YCRPNKLZSA-N 1 1 403.910 3.594 20 30 HHEDMO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)c2)cc1 ZINC000439509108 983432659 /nfs/dbraw/zinc/43/26/59/983432659.db2.gz XQBSZZGJQWLXKX-IBGZPJMESA-N 1 1 406.486 3.537 20 30 HHEDMO CCCc1c(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439706652 983510173 /nfs/dbraw/zinc/51/01/73/983510173.db2.gz WGKYAAGASCANNE-UTKZUKDTSA-N 1 1 408.550 3.890 20 30 HHEDMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000440049386 983625515 /nfs/dbraw/zinc/62/55/15/983625515.db2.gz IUWPHGLNNDXPFZ-LPHOPBHVSA-N 1 1 424.932 3.662 20 30 HHEDMO C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1Cl ZINC000440061549 983628789 /nfs/dbraw/zinc/62/87/89/983628789.db2.gz KVFNGCLQUOWCFE-CTNGQTDRSA-N 1 1 424.932 3.638 20 30 HHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440935360 983988343 /nfs/dbraw/zinc/98/83/43/983988343.db2.gz KTVSFZTYORBJNY-LJQANCHMSA-N 1 1 419.481 3.586 20 30 HHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440935360 983988347 /nfs/dbraw/zinc/98/83/47/983988347.db2.gz KTVSFZTYORBJNY-LJQANCHMSA-N 1 1 419.481 3.586 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000441002640 984018529 /nfs/dbraw/zinc/01/85/29/984018529.db2.gz SJLCUCLTFHXBCB-PKAPICSWSA-N 1 1 411.594 3.962 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000441002640 984018538 /nfs/dbraw/zinc/01/85/38/984018538.db2.gz SJLCUCLTFHXBCB-PKAPICSWSA-N 1 1 411.594 3.962 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000441002644 984018673 /nfs/dbraw/zinc/01/86/73/984018673.db2.gz SJLCUCLTFHXBCB-UKHOHEFJSA-N 1 1 411.594 3.962 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000441002644 984018680 /nfs/dbraw/zinc/01/86/80/984018680.db2.gz SJLCUCLTFHXBCB-UKHOHEFJSA-N 1 1 411.594 3.962 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441282508 984157591 /nfs/dbraw/zinc/15/75/91/984157591.db2.gz VQMBEXDSTIXUTN-FCHUYYIVSA-N 1 1 420.557 3.712 20 30 HHEDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000441379566 984219574 /nfs/dbraw/zinc/21/95/74/984219574.db2.gz JIHHMCLNNDUOIQ-SFHVURJKSA-N 1 1 417.513 3.713 20 30 HHEDMO CCOc1ccccc1C[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000441379566 984219576 /nfs/dbraw/zinc/21/95/76/984219576.db2.gz JIHHMCLNNDUOIQ-SFHVURJKSA-N 1 1 417.513 3.713 20 30 HHEDMO COC(=O)c1ccc(OCC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(Cl)c1 ZINC000441467060 984266376 /nfs/dbraw/zinc/26/63/76/984266376.db2.gz BICRZHWTQAOJIS-UHFFFAOYSA-N 1 1 414.889 3.920 20 30 HHEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1C#N ZINC000441887615 984520288 /nfs/dbraw/zinc/52/02/88/984520288.db2.gz KEJALZTYVBLXMZ-IBGZPJMESA-N 1 1 424.932 3.630 20 30 HHEDMO Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1C#N ZINC000441887615 984520293 /nfs/dbraw/zinc/52/02/93/984520293.db2.gz KEJALZTYVBLXMZ-IBGZPJMESA-N 1 1 424.932 3.630 20 30 HHEDMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)[nH+]c1 ZINC000442198739 984720037 /nfs/dbraw/zinc/72/00/37/984720037.db2.gz GYCAFXRHIMBVMZ-UHFFFAOYSA-N 1 1 419.407 3.951 20 30 HHEDMO C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1cccc(C#N)c1 ZINC000461927518 984936073 /nfs/dbraw/zinc/93/60/73/984936073.db2.gz MCSRRPRYEZCRRM-GOSISDBHSA-N 1 1 410.949 3.644 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000462177817 985157572 /nfs/dbraw/zinc/15/75/72/985157572.db2.gz BBVOCPRBAAGFKI-MBSDFSHPSA-N 1 1 415.493 3.981 20 30 HHEDMO N#Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)ccc1OC(F)(F)F ZINC000442939429 985291430 /nfs/dbraw/zinc/29/14/30/985291430.db2.gz SSMOHCAGTYISQC-IBGZPJMESA-N 1 1 419.403 3.593 20 30 HHEDMO C[N@H+]1CCN(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1(C)C ZINC000442959549 985302372 /nfs/dbraw/zinc/30/23/72/985302372.db2.gz AICAQJRBMRRUOA-UHFFFAOYSA-N 1 1 422.598 3.606 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1C ZINC000443361237 985523290 /nfs/dbraw/zinc/52/32/90/985523290.db2.gz MJEFEHDHVRQDIQ-XLIONFOSSA-N 1 1 420.513 3.620 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1C ZINC000443374811 985535005 /nfs/dbraw/zinc/53/50/05/985535005.db2.gz QJKCYTHGUXMKBP-FXAWDEMLSA-N 1 1 420.513 3.620 20 30 HHEDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000462821928 985747334 /nfs/dbraw/zinc/74/73/34/985747334.db2.gz RZROJAUMYCKYQG-UHFFFAOYSA-N 1 1 412.900 3.572 20 30 HHEDMO N#CCCn1cc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c(-c2ccccc2)n1 ZINC000462853692 985779387 /nfs/dbraw/zinc/77/93/87/985779387.db2.gz JQTDPFYWNXPRKE-HSZRJFAPSA-N 1 1 401.514 3.642 20 30 HHEDMO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443633563 985813910 /nfs/dbraw/zinc/81/39/10/985813910.db2.gz VWANNDFSMSEXSM-UHFFFAOYSA-N 1 1 404.905 3.694 20 30 HHEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000443641953 985830892 /nfs/dbraw/zinc/83/08/92/985830892.db2.gz XHPYAQAACJBVHU-OXQOHEQNSA-N 1 1 404.445 3.823 20 30 HHEDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000443902048 986099834 /nfs/dbraw/zinc/09/98/34/986099834.db2.gz QOPSEVMAQXLRBQ-JTHBVZDNSA-N 1 1 409.555 3.542 20 30 HHEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207048 986178993 /nfs/dbraw/zinc/17/89/93/986178993.db2.gz YPXHPLCBMPCLTA-NJDAHSKKSA-N 1 1 422.491 3.579 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)sc2c1CCCCC2 ZINC000463364630 986331531 /nfs/dbraw/zinc/33/15/31/986331531.db2.gz FCNOKLDNMJCEHX-XMMPIXPASA-N 1 1 423.582 3.853 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444176253 986353692 /nfs/dbraw/zinc/35/36/92/986353692.db2.gz NYXSPZVXWZNGNQ-AEFFLSMTSA-N 1 1 409.555 3.974 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444176253 986353701 /nfs/dbraw/zinc/35/37/01/986353701.db2.gz NYXSPZVXWZNGNQ-AEFFLSMTSA-N 1 1 409.555 3.974 20 30 HHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463440116 986417722 /nfs/dbraw/zinc/41/77/22/986417722.db2.gz MXYSGXRGIINRRD-KUKRUZIOSA-N 1 1 411.590 3.623 20 30 HHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463440119 986417998 /nfs/dbraw/zinc/41/79/98/986417998.db2.gz MXYSGXRGIINRRD-QWIQBYFBSA-N 1 1 411.590 3.623 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)ccc1Cl ZINC000463456424 986437164 /nfs/dbraw/zinc/43/71/64/986437164.db2.gz RDUJANOGCKFNPT-HSZRJFAPSA-N 1 1 411.933 3.531 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)ccc1Cl ZINC000463456424 986437168 /nfs/dbraw/zinc/43/71/68/986437168.db2.gz RDUJANOGCKFNPT-HSZRJFAPSA-N 1 1 411.933 3.531 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000468912334 986619229 /nfs/dbraw/zinc/61/92/29/986619229.db2.gz ILXYTDSXLUOVGT-HXUWFJFHSA-N 1 1 412.534 3.693 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468981425 986687625 /nfs/dbraw/zinc/68/76/25/986687625.db2.gz KQCIEXUJSHHCCP-GOSISDBHSA-N 1 1 400.482 3.950 20 30 HHEDMO N#Cc1ccc(F)cc1CN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000469138981 986859121 /nfs/dbraw/zinc/85/91/21/986859121.db2.gz XYUCJNJUOKEVOG-UHFFFAOYSA-N 1 1 411.506 3.559 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000444685743 986865069 /nfs/dbraw/zinc/86/50/69/986865069.db2.gz AWEOIZPIAJJLFO-UHFFFAOYSA-N 1 1 408.546 3.615 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444685743 986865072 /nfs/dbraw/zinc/86/50/72/986865072.db2.gz AWEOIZPIAJJLFO-UHFFFAOYSA-N 1 1 408.546 3.615 20 30 HHEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000444815826 986969722 /nfs/dbraw/zinc/96/97/22/986969722.db2.gz HIODCTDBACKMAL-KRWDZBQOSA-N 1 1 408.502 3.659 20 30 HHEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000444901490 987050521 /nfs/dbraw/zinc/05/05/21/987050521.db2.gz MFIDJYLUGFUSCG-QGZVFWFLSA-N 1 1 408.502 3.659 20 30 HHEDMO Cc1cccc(NCCNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)[nH+]1 ZINC000469599236 987264442 /nfs/dbraw/zinc/26/44/42/987264442.db2.gz RDTMDPIQFMNVBM-UHFFFAOYSA-N 1 1 402.502 3.626 20 30 HHEDMO CCOC(=O)[C@@H](CC)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000469693114 987350965 /nfs/dbraw/zinc/35/09/65/987350965.db2.gz KNMMEXMUQYUAJX-QGZVFWFLSA-N 1 1 403.548 3.633 20 30 HHEDMO CCOC(=O)[C@@H](CC)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000469693114 987350973 /nfs/dbraw/zinc/35/09/73/987350973.db2.gz KNMMEXMUQYUAJX-QGZVFWFLSA-N 1 1 403.548 3.633 20 30 HHEDMO CN1CC[N@@H+](CCCNC(=O)C[C@@H](CC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000470020302 987630563 /nfs/dbraw/zinc/63/05/63/987630563.db2.gz XNDSMAMVMOSRTG-RPWUZVMVSA-N 1 1 404.558 3.569 20 30 HHEDMO C[N@@H+]1CCN(CCCNC(=O)C[C@@H](CC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000470020302 987630571 /nfs/dbraw/zinc/63/05/71/987630571.db2.gz XNDSMAMVMOSRTG-RPWUZVMVSA-N 1 1 404.558 3.569 20 30 HHEDMO C[N@H+]1CCN(CCCNC(=O)C[C@@H](CC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000470020302 987630576 /nfs/dbraw/zinc/63/05/76/987630576.db2.gz XNDSMAMVMOSRTG-RPWUZVMVSA-N 1 1 404.558 3.569 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)ccc1Cl ZINC000470186097 988102117 /nfs/dbraw/zinc/10/21/17/988102117.db2.gz OSWYHEQADQYCQP-UHFFFAOYSA-N 1 1 424.932 3.659 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)ccc1Cl ZINC000470186097 988102124 /nfs/dbraw/zinc/10/21/24/988102124.db2.gz OSWYHEQADQYCQP-UHFFFAOYSA-N 1 1 424.932 3.659 20 30 HHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C(=O)Nc3ccc(OC(C)C)c(C#N)c3)cc2)c1C ZINC000464007870 988118593 /nfs/dbraw/zinc/11/85/93/988118593.db2.gz SRSNGOVBGKNIHC-UHFFFAOYSA-N 1 1 417.469 3.725 20 30 HHEDMO N#CCCN(C(=O)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000470206758 988130539 /nfs/dbraw/zinc/13/05/39/988130539.db2.gz TVGYLIJQBBWGLG-JOCHJYFZSA-N 1 1 411.933 3.920 20 30 HHEDMO N#CCCN(C(=O)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000470206758 988130542 /nfs/dbraw/zinc/13/05/42/988130542.db2.gz TVGYLIJQBBWGLG-JOCHJYFZSA-N 1 1 411.933 3.920 20 30 HHEDMO N#CCCN(C(=O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1)c1cccc(Cl)c1 ZINC000470211443 988136574 /nfs/dbraw/zinc/13/65/74/988136574.db2.gz ICKGNZLJFLVRCK-OAQYLSRUSA-N 1 1 419.953 3.637 20 30 HHEDMO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nc2cc(Cl)ccc2c1=O ZINC000470438627 988410438 /nfs/dbraw/zinc/41/04/38/988410438.db2.gz OQIQWAMLWAXEJX-UHFFFAOYSA-N 1 1 421.010 3.744 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@@H]1C ZINC000470545343 988553199 /nfs/dbraw/zinc/55/31/99/988553199.db2.gz DJMKKAVZDMGZFL-FXAWDEMLSA-N 1 1 411.550 3.606 20 30 HHEDMO N#Cc1ccsc1NC(=O)CC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464588176 988767241 /nfs/dbraw/zinc/76/72/41/988767241.db2.gz VRLABXWJRFSSNZ-UHFFFAOYSA-N 1 1 413.543 3.898 20 30 HHEDMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000470849351 988927761 /nfs/dbraw/zinc/92/77/61/988927761.db2.gz YSVWPZLXUQRDHZ-HSZRJFAPSA-N 1 1 404.514 3.901 20 30 HHEDMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000470849351 988927773 /nfs/dbraw/zinc/92/77/73/988927773.db2.gz YSVWPZLXUQRDHZ-HSZRJFAPSA-N 1 1 404.514 3.901 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OC)c1 ZINC000464833867 989074679 /nfs/dbraw/zinc/07/46/79/989074679.db2.gz SHJLJIXNJIDHLY-DNVJHFABSA-N 1 1 406.526 3.935 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OC)c1 ZINC000464833867 989074692 /nfs/dbraw/zinc/07/46/92/989074692.db2.gz SHJLJIXNJIDHLY-DNVJHFABSA-N 1 1 406.526 3.935 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000464854134 989108046 /nfs/dbraw/zinc/10/80/46/989108046.db2.gz DRQIFMFBHVVYNU-ZENLRNHISA-N 1 1 412.335 3.725 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000464864952 989121645 /nfs/dbraw/zinc/12/16/45/989121645.db2.gz USIYECNGTZHLHW-GOSISDBHSA-N 1 1 417.488 3.777 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000464864952 989121648 /nfs/dbraw/zinc/12/16/48/989121648.db2.gz USIYECNGTZHLHW-GOSISDBHSA-N 1 1 417.488 3.777 20 30 HHEDMO C[N@H+]1CC[C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471087347 989181863 /nfs/dbraw/zinc/18/18/63/989181863.db2.gz SYICMCNEAODACS-DXIQSLLYSA-N 1 1 424.907 3.842 20 30 HHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000464985988 989290419 /nfs/dbraw/zinc/29/04/19/989290419.db2.gz MRXOCLXEQVCQKN-LJQANCHMSA-N 1 1 419.525 3.984 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@@H](C)C1 ZINC000471228045 989372059 /nfs/dbraw/zinc/37/20/59/989372059.db2.gz RKYKNUKUEBONKU-MBSDFSHPSA-N 1 1 421.589 3.626 20 30 HHEDMO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000471274926 989425617 /nfs/dbraw/zinc/42/56/17/989425617.db2.gz YXVYJMYGVIYWNS-HXUWFJFHSA-N 1 1 415.493 3.982 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000471467929 989661623 /nfs/dbraw/zinc/66/16/23/989661623.db2.gz QDIMSWPCLTXEGV-NZQKXSOJSA-N 1 1 419.573 3.505 20 30 HHEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C)O1 ZINC000471626128 989832810 /nfs/dbraw/zinc/83/28/10/989832810.db2.gz OZRJNJPBQVQNDE-IAGOWNOFSA-N 1 1 403.486 3.830 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000465534378 989897094 /nfs/dbraw/zinc/89/70/94/989897094.db2.gz QEEZNQCIRPSEHT-RPWUZVMVSA-N 1 1 402.542 3.916 20 30 HHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000465964492 991111184 /nfs/dbraw/zinc/11/11/84/991111184.db2.gz BWPYSCJMRALIQE-NRFANRHFSA-N 1 1 422.573 3.604 20 30 HHEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@H](C)C1 ZINC000466021635 991188872 /nfs/dbraw/zinc/18/88/72/991188872.db2.gz VVINALUHNNOEKZ-XBYSBRQOSA-N 1 1 412.578 3.605 20 30 HHEDMO N#Cc1ccc(OCCNC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000466100671 991280097 /nfs/dbraw/zinc/28/00/97/991280097.db2.gz FTTCMCGIKBULCR-UHFFFAOYSA-N 1 1 412.921 3.508 20 30 HHEDMO N#Cc1ccc(OCCNC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000466100671 991280104 /nfs/dbraw/zinc/28/01/04/991280104.db2.gz FTTCMCGIKBULCR-UHFFFAOYSA-N 1 1 412.921 3.508 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)CCC2CCOCC2)cc1 ZINC000466476104 991768013 /nfs/dbraw/zinc/76/80/13/991768013.db2.gz WNCIIACQDHQKDS-UHFFFAOYSA-N 1 1 424.545 3.661 20 30 HHEDMO C[C@H]1C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466522588 991816250 /nfs/dbraw/zinc/81/62/50/991816250.db2.gz NLRWJGIAKLTJCP-UGKGYDQZSA-N 1 1 418.541 3.774 20 30 HHEDMO CC1(C)CN(C(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466605224 991921612 /nfs/dbraw/zinc/92/16/12/991921612.db2.gz YSBDSSFHHJUYLP-UHFFFAOYSA-N 1 1 407.518 3.892 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466616696 991933079 /nfs/dbraw/zinc/93/30/79/991933079.db2.gz OCQSUFMWTDLRCR-UYAOXDASSA-N 1 1 407.518 3.796 20 30 HHEDMO N#CCCCOc1cccnc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000466617599 991933980 /nfs/dbraw/zinc/93/39/80/991933980.db2.gz BTRJPXFHTRDTLI-UHFFFAOYSA-N 1 1 411.481 3.643 20 30 HHEDMO N#CCCCOc1cccnc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000466617599 991933988 /nfs/dbraw/zinc/93/39/88/991933988.db2.gz BTRJPXFHTRDTLI-UHFFFAOYSA-N 1 1 411.481 3.643 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)cc1 ZINC000466687680 992001314 /nfs/dbraw/zinc/00/13/14/992001314.db2.gz ZIWKKGYEPUXHLB-UHFFFAOYSA-N 1 1 404.301 4.000 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)cc1 ZINC000466687680 992001324 /nfs/dbraw/zinc/00/13/24/992001324.db2.gz ZIWKKGYEPUXHLB-UHFFFAOYSA-N 1 1 404.301 4.000 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466932809 992244223 /nfs/dbraw/zinc/24/42/23/992244223.db2.gz CXORULRFKSOXKC-UGSOOPFHSA-N 1 1 410.331 3.769 20 30 HHEDMO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466985340 992295072 /nfs/dbraw/zinc/29/50/72/992295072.db2.gz VDXIYPSDFQZMRW-UHFFFAOYSA-N 1 1 415.541 3.738 20 30 HHEDMO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466985340 992295079 /nfs/dbraw/zinc/29/50/79/992295079.db2.gz VDXIYPSDFQZMRW-UHFFFAOYSA-N 1 1 415.541 3.738 20 30 HHEDMO C[NH+](C)Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1Br ZINC000467073365 992378711 /nfs/dbraw/zinc/37/87/11/992378711.db2.gz QZHVTXZMTJNULV-LJQANCHMSA-N 1 1 424.339 3.711 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@@H]1C ZINC000467148921 992464899 /nfs/dbraw/zinc/46/48/99/992464899.db2.gz NXHXDZZXPBBTQH-LAUBAEHRSA-N 1 1 407.562 3.709 20 30 HHEDMO CCc1nnc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c(C#N)c1CC ZINC000467795288 993030498 /nfs/dbraw/zinc/03/04/98/993030498.db2.gz MMVVRTKBGLLAQU-UHFFFAOYSA-N 1 1 423.561 3.575 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)C2)n1 ZINC000472158238 993208719 /nfs/dbraw/zinc/20/87/19/993208719.db2.gz QJCWUYQJBBHLTJ-XJUOHMSHSA-N 1 1 423.605 3.591 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)C2)n1 ZINC000472158216 993209223 /nfs/dbraw/zinc/20/92/23/993209223.db2.gz QJCWUYQJBBHLTJ-FUDKSRODSA-N 1 1 423.605 3.591 20 30 HHEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472254761 993281391 /nfs/dbraw/zinc/28/13/91/993281391.db2.gz GHHGIOPHRJQKQI-RTWAWAEBSA-N 1 1 412.534 3.572 20 30 HHEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472893684 993819776 /nfs/dbraw/zinc/81/97/76/993819776.db2.gz CHFFBRKUNMDNTK-PMACEKPBSA-N 1 1 419.573 3.611 20 30 HHEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000472940296 993869697 /nfs/dbraw/zinc/86/96/97/993869697.db2.gz BUNGADKTKYEORM-FQEVSTJZSA-N 1 1 410.345 3.783 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000481064297 993904830 /nfs/dbraw/zinc/90/48/30/993904830.db2.gz UTOVHZUDSHABIH-UTKZUKDTSA-N 1 1 415.534 3.512 20 30 HHEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169846 994001703 /nfs/dbraw/zinc/00/17/03/994001703.db2.gz JDRRPDFRWUGIIY-MZLICYQSSA-N 1 1 422.548 3.961 20 30 HHEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169846 994001716 /nfs/dbraw/zinc/00/17/16/994001716.db2.gz JDRRPDFRWUGIIY-MZLICYQSSA-N 1 1 422.548 3.961 20 30 HHEDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182122 994012100 /nfs/dbraw/zinc/01/21/00/994012100.db2.gz OXIPMWNHVFFACA-JOPUDMMZSA-N 1 1 410.606 3.806 20 30 HHEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182122 994012112 /nfs/dbraw/zinc/01/21/12/994012112.db2.gz OXIPMWNHVFFACA-JOPUDMMZSA-N 1 1 410.606 3.806 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000473175225 994042297 /nfs/dbraw/zinc/04/22/97/994042297.db2.gz SKLKKYYFEWGUKS-HSZRJFAPSA-N 1 1 407.539 3.959 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(O)ccc3C(F)(F)F)CC2)cc1 ZINC000473360946 994222093 /nfs/dbraw/zinc/22/20/93/994222093.db2.gz MTVDXBKDEBVBQM-UHFFFAOYSA-N 1 1 403.404 3.631 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(O)ccc3C(F)(F)F)CC2)cc1 ZINC000473360946 994222107 /nfs/dbraw/zinc/22/21/07/994222107.db2.gz MTVDXBKDEBVBQM-UHFFFAOYSA-N 1 1 403.404 3.631 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCCc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481566460 994401204 /nfs/dbraw/zinc/40/12/04/994401204.db2.gz AWYZBUKVTWZDHH-JOCHJYFZSA-N 1 1 404.457 3.548 20 30 HHEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000481602819 994452156 /nfs/dbraw/zinc/45/21/56/994452156.db2.gz ULRVVZFZDZDQFW-FQEVSTJZSA-N 1 1 409.452 3.605 20 30 HHEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000481611351 994467349 /nfs/dbraw/zinc/46/73/49/994467349.db2.gz KGFOIMQLBPFIPC-FQEVSTJZSA-N 1 1 411.468 3.851 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1cc(OC)c(OC)cc1OC)c1ccc(F)c(F)c1 ZINC000481629678 994496283 /nfs/dbraw/zinc/49/62/83/994496283.db2.gz VFMSKCAYFOTIKI-JOCHJYFZSA-N 1 1 420.456 3.514 20 30 HHEDMO CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCN(c2cc(C#N)ccn2)CC1 ZINC000481707053 994568479 /nfs/dbraw/zinc/56/84/79/994568479.db2.gz QDVRBWMYVDMUSK-UHFFFAOYSA-N 1 1 415.497 3.622 20 30 HHEDMO C[N@@H+](CCNC(=O)c1occc1COc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000481987792 994887236 /nfs/dbraw/zinc/88/72/36/994887236.db2.gz ZPKCFOUUUWQHHB-UHFFFAOYSA-N 1 1 407.445 3.731 20 30 HHEDMO C[N@@H+](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Cc1ccc(F)cc1 ZINC000482001268 994901594 /nfs/dbraw/zinc/90/15/94/994901594.db2.gz SKFOKPGWEKKNSY-UHFFFAOYSA-N 1 1 404.445 3.746 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)nnc1-c1ccco1 ZINC000482110685 995058598 /nfs/dbraw/zinc/05/85/98/995058598.db2.gz ZYHLRFOSJPWEAJ-SJORKVTESA-N 1 1 417.579 3.538 20 30 HHEDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482495149 995505593 /nfs/dbraw/zinc/50/55/93/995505593.db2.gz MTBYOFSOTIBMTK-FYYLOGMGSA-N 1 1 408.498 3.680 20 30 HHEDMO CCCCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000482555883 995563649 /nfs/dbraw/zinc/56/36/49/995563649.db2.gz PDALAIHWNJGJHC-UHFFFAOYSA-N 1 1 407.518 3.872 20 30 HHEDMO N#CC1(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCN(Cc2ccccc2)CC1 ZINC000482610699 995608518 /nfs/dbraw/zinc/60/85/18/995608518.db2.gz WILLSJXBIYNHND-UHFFFAOYSA-N 1 1 411.509 3.535 20 30 HHEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@@H](CC#N)c3ccccc3)cc2)CC1 ZINC000474906362 995792419 /nfs/dbraw/zinc/79/24/19/995792419.db2.gz OHLWQWMEOOTIJU-XMMPIXPASA-N 1 1 404.558 3.528 20 30 HHEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)CSc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000482999457 995911047 /nfs/dbraw/zinc/91/10/47/995911047.db2.gz YMQPIBUBKWAZER-QZTJIDSGSA-N 1 1 409.555 3.576 20 30 HHEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000475164969 995965312 /nfs/dbraw/zinc/96/53/12/995965312.db2.gz PNTNDPVVNDHVAO-UHFFFAOYSA-N 1 1 408.546 3.692 20 30 HHEDMO C=C(C)[C@@H](NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(F)c(F)c1 ZINC000483287900 996081981 /nfs/dbraw/zinc/08/19/81/996081981.db2.gz DAKPAYOGJAZYCB-KGVIQGDOSA-N 1 1 420.548 3.782 20 30 HHEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000475464388 996158362 /nfs/dbraw/zinc/15/83/62/996158362.db2.gz OWXKEAPBWGMIAZ-HXUWFJFHSA-N 1 1 420.513 3.622 20 30 HHEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000475544247 996211615 /nfs/dbraw/zinc/21/16/15/996211615.db2.gz GKFFRJBHLFIFLY-UHFFFAOYSA-N 1 1 412.578 3.556 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000475571247 996224165 /nfs/dbraw/zinc/22/41/65/996224165.db2.gz KVPNVFVSHXMIQD-IBGZPJMESA-N 1 1 403.592 3.812 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475655715 996281030 /nfs/dbraw/zinc/28/10/30/996281030.db2.gz KQSHNPXRUKTVHD-DVECYGJZSA-N 1 1 423.582 3.946 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000475787149 996371376 /nfs/dbraw/zinc/37/13/76/996371376.db2.gz FNBMCEZWLYJWEN-APWZRJJASA-N 1 1 417.962 3.885 20 30 HHEDMO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000483961340 996492887 /nfs/dbraw/zinc/49/28/87/996492887.db2.gz PFVBBURNJFXZPA-UHFFFAOYSA-N 1 1 414.469 3.623 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476315518 996752013 /nfs/dbraw/zinc/75/20/13/996752013.db2.gz SZXCUCDWBXOBRK-OAQYLSRUSA-N 1 1 403.592 3.634 20 30 HHEDMO N#Cc1ccc(CSc2ccccc2C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000476465642 996942325 /nfs/dbraw/zinc/94/23/25/996942325.db2.gz WFRWQTMXVXQYHU-OAQYLSRUSA-N 1 1 423.582 3.817 20 30 HHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476713171 997256119 /nfs/dbraw/zinc/25/61/19/997256119.db2.gz PBJSSDOOQHBIGP-ITPHGFLGSA-N 1 1 412.578 3.914 20 30 HHEDMO COCCC[N@H+]1Cc2cccc(N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2C1 ZINC000484910356 997284562 /nfs/dbraw/zinc/28/45/62/997284562.db2.gz UPBHJUIOMOVAEQ-QHCPKHFHSA-N 1 1 404.514 3.518 20 30 HHEDMO C=C(C)[C@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000476889171 997483571 /nfs/dbraw/zinc/48/35/71/997483571.db2.gz UIABYQXHMPWOSA-QFIPXVFZSA-N 1 1 415.484 3.914 20 30 HHEDMO N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000477036233 997668955 /nfs/dbraw/zinc/66/89/55/997668955.db2.gz TXJQFMJMIDGIDZ-LJQANCHMSA-N 1 1 416.506 3.679 20 30 HHEDMO N#Cc1cccc(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000485351935 997773608 /nfs/dbraw/zinc/77/36/08/997773608.db2.gz SKLLOKFPUHKQSX-LADGPHEKSA-N 1 1 402.542 3.873 20 30 HHEDMO N#Cc1cccc(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000485351935 997773619 /nfs/dbraw/zinc/77/36/19/997773619.db2.gz SKLLOKFPUHKQSX-LADGPHEKSA-N 1 1 402.542 3.873 20 30 HHEDMO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000477132903 997787912 /nfs/dbraw/zinc/78/79/12/997787912.db2.gz DYLLJNVIOOOGMV-UHFFFAOYSA-N 1 1 417.431 3.804 20 30 HHEDMO COc1ccc(CCC(=O)N2CCC[N@@H+](CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000477137197 997794053 /nfs/dbraw/zinc/79/40/53/997794053.db2.gz LNICCOCUHIJHAN-UHFFFAOYSA-N 1 1 421.541 3.503 20 30 HHEDMO Cc1ccc(-c2noc(CN3CC[NH+](CCCOc4cccc(C#N)c4)CC3)n2)cc1 ZINC000477166804 997832154 /nfs/dbraw/zinc/83/21/54/997832154.db2.gz QQIKPTOSOWICOF-UHFFFAOYSA-N 1 1 417.513 3.503 20 30 HHEDMO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000477756530 998503718 /nfs/dbraw/zinc/50/37/18/998503718.db2.gz WMRCEYVVZMHLKL-IBGZPJMESA-N 1 1 417.513 3.756 20 30 HHEDMO C[C@@H](CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000477849165 998602001 /nfs/dbraw/zinc/60/20/01/998602001.db2.gz OQDGGPBOROIYQM-HNNXBMFYSA-N 1 1 421.488 3.864 20 30 HHEDMO C[C@@H](CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCc2sccc2C1 ZINC000477849165 998602010 /nfs/dbraw/zinc/60/20/10/998602010.db2.gz OQDGGPBOROIYQM-HNNXBMFYSA-N 1 1 421.488 3.864 20 30 HHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C12CCC2 ZINC000477990096 998702696 /nfs/dbraw/zinc/70/26/96/998702696.db2.gz PQQFHOFJOZBFRD-NHCUHLMSSA-N 1 1 424.545 3.836 20 30 HHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000478023469 998719126 /nfs/dbraw/zinc/71/91/26/998719126.db2.gz ZWHVZZBCXMSMCS-ZEQRLZLVSA-N 1 1 418.541 3.552 20 30 HHEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1Cl ZINC000478024569 998719213 /nfs/dbraw/zinc/71/92/13/998719213.db2.gz BQJHVOKGUFUMPD-UHFFFAOYSA-N 1 1 419.934 3.731 20 30 HHEDMO CCOC(=O)C1([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CCCCC1 ZINC000478054583 998739190 /nfs/dbraw/zinc/73/91/90/998739190.db2.gz RULBPBCMMRSSNJ-UHFFFAOYSA-N 1 1 403.548 3.635 20 30 HHEDMO C[N@H+]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000478369222 998921051 /nfs/dbraw/zinc/92/10/51/998921051.db2.gz JEYNXKPKDAUWOB-JWQCQUIFSA-N 1 1 411.505 3.965 20 30 HHEDMO Cc1cccc(N2CCC(NC(=O)NCC#Cc3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000478394399 998934961 /nfs/dbraw/zinc/93/49/61/998934961.db2.gz SNNLIMCGMIIXPL-UHFFFAOYSA-N 1 1 416.447 3.729 20 30 HHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486843455 998968522 /nfs/dbraw/zinc/96/85/22/998968522.db2.gz RJMRWGDDWFEJHU-IBPUDULPSA-N 1 1 421.545 3.533 20 30 HHEDMO C=CCNc1ncc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000478566068 999027776 /nfs/dbraw/zinc/02/77/76/999027776.db2.gz OYEBHYXMXLBWGL-SUMWQHHRSA-N 1 1 408.930 3.956 20 30 HHEDMO C=CCNc1ncc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000478566068 999027780 /nfs/dbraw/zinc/02/77/80/999027780.db2.gz OYEBHYXMXLBWGL-SUMWQHHRSA-N 1 1 408.930 3.956 20 30 HHEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000487130110 999076034 /nfs/dbraw/zinc/07/60/34/999076034.db2.gz ZCOUVCSXBCUHRL-QGZVFWFLSA-N 1 1 423.488 3.815 20 30 HHEDMO O=C(c1ccc(F)cc1C(F)(F)F)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000487241776 999109091 /nfs/dbraw/zinc/10/90/91/999109091.db2.gz WIBJRZHIKQVQFN-UHFFFAOYSA-N 1 1 416.337 3.571 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccn(-c4ccc(F)cc4F)n3)CC2)cc1 ZINC000487573310 999215828 /nfs/dbraw/zinc/21/58/28/999215828.db2.gz LXCFMYAHILUGAM-UHFFFAOYSA-N 1 1 407.468 3.730 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000478945893 999216550 /nfs/dbraw/zinc/21/65/50/999216550.db2.gz ANCAFLJIXPLGHO-IBGZPJMESA-N 1 1 413.562 3.693 20 30 HHEDMO CCOc1cc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)nc2nc(C(F)(F)F)nn21 ZINC000478950746 999218423 /nfs/dbraw/zinc/21/84/23/999218423.db2.gz CMAUTGVOXKQVIA-ZDUSSCGKSA-N 1 1 418.423 3.997 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000478964763 999225868 /nfs/dbraw/zinc/22/58/68/999225868.db2.gz ZLILFRLVCGCTFT-MRXNPFEDSA-N 1 1 416.953 3.653 20 30 HHEDMO Cc1sc(NC(=O)CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000478969404 999227923 /nfs/dbraw/zinc/22/79/23/999227923.db2.gz YFHQHQPRFCBIRH-UHFFFAOYSA-N 1 1 400.523 3.522 20 30 HHEDMO Cc1cc(OC(F)F)c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000479220772 999331128 /nfs/dbraw/zinc/33/11/28/999331128.db2.gz SCPYYKIMWJYFSV-UHFFFAOYSA-N 1 1 405.470 3.946 20 30 HHEDMO Cc1nc(-c2ccccc2)oc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479238647 999339312 /nfs/dbraw/zinc/33/93/12/999339312.db2.gz DVSATDGLWYBBQI-UHFFFAOYSA-N 1 1 400.482 3.938 20 30 HHEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000479490587 999441524 /nfs/dbraw/zinc/44/15/24/999441524.db2.gz SSOWPSNCLVGMBV-HSZRJFAPSA-N 1 1 424.497 3.989 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3csc(-c4ccco4)n3)CC2)cc1 ZINC000479581544 999489039 /nfs/dbraw/zinc/48/90/39/999489039.db2.gz INAFUHCSOLRDKC-UHFFFAOYSA-N 1 1 421.526 3.692 20 30 HHEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc2ccc(Cl)cc2n1C ZINC000488463154 999494877 /nfs/dbraw/zinc/49/48/77/999494877.db2.gz LJQFTHKARUEVNR-IFXJQAMLSA-N 1 1 407.905 3.550 20 30 HHEDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000488509660 999512711 /nfs/dbraw/zinc/51/27/11/999512711.db2.gz ACTGVQHJXGZIKZ-QGZVFWFLSA-N 1 1 409.486 3.581 20 30 HHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000488509660 999512714 /nfs/dbraw/zinc/51/27/14/999512714.db2.gz ACTGVQHJXGZIKZ-QGZVFWFLSA-N 1 1 409.486 3.581 20 30 HHEDMO C[C@@]1(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CCC[N@H+]1Cc1ccccc1 ZINC000489059137 999685679 /nfs/dbraw/zinc/68/56/79/999685679.db2.gz HHRMGTKHMMEUSG-NOZRDPDXSA-N 1 1 418.541 3.696 20 30 HHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000489197197 999720373 /nfs/dbraw/zinc/72/03/73/999720373.db2.gz MXGAOUCYUJGRQZ-UHFFFAOYSA-N 1 1 424.520 3.902 20 30 HHEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000489384776 999755985 /nfs/dbraw/zinc/75/59/85/999755985.db2.gz BBTLPHZZGDCMHW-OAQYLSRUSA-N 1 1 419.573 3.955 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@H]1CCO[C@H]1C ZINC000489398090 999758870 /nfs/dbraw/zinc/75/88/70/999758870.db2.gz HOHTVLHCIFGPKI-RXVVDRJESA-N 1 1 416.566 3.546 20 30 HHEDMO 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C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000516304578 1007005777 /nfs/dbraw/zinc/00/57/77/1007005777.db2.gz ILZFGRVRKNDFIG-UHFFFAOYSA-N 1 1 421.520 3.991 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c(OC)c1 ZINC000538781166 1007062458 /nfs/dbraw/zinc/06/24/58/1007062458.db2.gz LETBZHFSBOUWHP-NHCUHLMSSA-N 1 1 421.541 3.678 20 30 HHEDMO Cc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)n2)cc1 ZINC000532670552 1007086207 /nfs/dbraw/zinc/08/62/07/1007086207.db2.gz JSYADWIAMWFHGA-UHFFFAOYSA-N 1 1 401.470 3.767 20 30 HHEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CCC2 ZINC000532715301 1007127337 /nfs/dbraw/zinc/12/73/37/1007127337.db2.gz CDGJDKXFUPPOCZ-SFHVURJKSA-N 1 1 421.488 3.947 20 30 HHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CCC2 ZINC000532715301 1007127355 /nfs/dbraw/zinc/12/73/55/1007127355.db2.gz CDGJDKXFUPPOCZ-SFHVURJKSA-N 1 1 421.488 3.947 20 30 HHEDMO 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ZINC000536668634 1011822763 /nfs/dbraw/zinc/82/27/63/1011822763.db2.gz KKGCARZBCWLNRX-UHFFFAOYSA-N 1 1 415.563 3.504 20 30 HHEDMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(OC)c(OCCCC#N)c3)CC2)n1 ZINC000536668634 1011822781 /nfs/dbraw/zinc/82/27/81/1011822781.db2.gz KKGCARZBCWLNRX-UHFFFAOYSA-N 1 1 415.563 3.504 20 30 HHEDMO N#CCCn1cc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c(-c2ccncc2)n1 ZINC000551833908 1011991428 /nfs/dbraw/zinc/99/14/28/1011991428.db2.gz HVUKYEIANAWVIM-UHFFFAOYSA-N 1 1 422.483 3.849 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccccc3OCC3CC3)CC2)cc1 ZINC000523567084 1012106763 /nfs/dbraw/zinc/10/67/63/1012106763.db2.gz OYVVMRWMSBBHCP-UHFFFAOYSA-N 1 1 418.541 3.765 20 30 HHEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)s2)cc1 ZINC000541387378 1012110860 /nfs/dbraw/zinc/11/08/60/1012110860.db2.gz REPKUPGKYNOZET-HOCLYGCPSA-N 1 1 407.333 3.959 20 30 HHEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)s2)cc1 ZINC000541387378 1012110866 /nfs/dbraw/zinc/11/08/66/1012110866.db2.gz REPKUPGKYNOZET-HOCLYGCPSA-N 1 1 407.333 3.959 20 30 HHEDMO CCc1nc(C[NH+]2CCC(CNC(=O)N(C)Cc3ccc(C#N)cc3)CC2)cs1 ZINC000523579453 1012128796 /nfs/dbraw/zinc/12/87/96/1012128796.db2.gz OTFVYPJEUWTDCD-UHFFFAOYSA-N 1 1 411.575 3.631 20 30 HHEDMO CC(C)CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC000523611360 1012181543 /nfs/dbraw/zinc/18/15/43/1012181543.db2.gz ZZXZIOIKWWDEFH-UHFFFAOYSA-N 1 1 418.585 3.928 20 30 HHEDMO C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601598 1012398041 /nfs/dbraw/zinc/39/80/41/1012398041.db2.gz IVPKBBHOYDQDMS-QZTJIDSGSA-N 1 1 402.970 3.829 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000541613351 1012416683 /nfs/dbraw/zinc/41/66/83/1012416683.db2.gz HZJXEGVMTRTAEX-ODDXKZSGSA-N 1 1 415.584 3.729 20 30 HHEDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1OC ZINC000537097654 1012460322 /nfs/dbraw/zinc/46/03/22/1012460322.db2.gz XRFAXDSAKQWVLH-RYUDHWBXSA-N 1 1 417.506 3.943 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000552479340 1012505397 /nfs/dbraw/zinc/50/53/97/1012505397.db2.gz PAICCTZKADVCLK-ROUUACIJSA-N 1 1 401.580 3.703 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000552479340 1012505410 /nfs/dbraw/zinc/50/54/10/1012505410.db2.gz PAICCTZKADVCLK-ROUUACIJSA-N 1 1 401.580 3.703 20 30 HHEDMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3ccc(CC#N)cc3)cc2)C[C@H]1C ZINC000537140981 1012532680 /nfs/dbraw/zinc/53/26/80/1012532680.db2.gz CZYOXYHEGMNCGX-BGYRXZFFSA-N 1 1 405.542 3.692 20 30 HHEDMO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1cccc2ccccc21 ZINC000537161619 1012560888 /nfs/dbraw/zinc/56/08/88/1012560888.db2.gz QSLZOAHGFLZSES-QFIPXVFZSA-N 1 1 418.566 3.742 20 30 HHEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000537162134 1012562235 /nfs/dbraw/zinc/56/22/35/1012562235.db2.gz MNEMBHALOJZJMS-RBUKOAKNSA-N 1 1 412.559 3.667 20 30 HHEDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000537162179 1012562397 /nfs/dbraw/zinc/56/23/97/1012562397.db2.gz OEFMGNJXZMBHCS-NHCUHLMSSA-N 1 1 408.571 3.603 20 30 HHEDMO C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537369571 1012841603 /nfs/dbraw/zinc/84/16/03/1012841603.db2.gz SZQJHOBFHCHGBG-RBUKOAKNSA-N 1 1 406.452 3.929 20 30 HHEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552895099 1012896981 /nfs/dbraw/zinc/89/69/81/1012896981.db2.gz CZSWKRMAZNMJMW-QGZVFWFLSA-N 1 1 402.970 3.665 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)C2=O)cc1 ZINC000542056668 1012971324 /nfs/dbraw/zinc/97/13/24/1012971324.db2.gz CSRGZSHBKBHCBM-ZWKOTPCHSA-N 1 1 417.435 3.606 20 30 HHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccccc2N2CCOCC2)no1 ZINC001211975656 1071828875 /nfs/dbraw/zinc/82/88/75/1071828875.db2.gz MZOBAEVKOSZCNA-NQIIRXRSSA-N 1 1 414.550 3.651 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000614969912 1072009824 /nfs/dbraw/zinc/00/98/24/1072009824.db2.gz LSUHVBFOBRKAPE-JOCHJYFZSA-N 1 1 415.497 3.782 20 30 HHEDMO COc1ccc(Cn2nc(C(=N)NC3CC[NH+](CC4CC4)CC3)c3ccccc32)cc1 ZINC001168371485 1072019163 /nfs/dbraw/zinc/01/91/63/1072019163.db2.gz NAXCDYXYRKWMSK-UHFFFAOYSA-N 1 1 417.557 3.673 20 30 HHEDMO N#CCOc1cccc(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000760392120 1072313917 /nfs/dbraw/zinc/31/39/17/1072313917.db2.gz IITDDJQBIVHRRI-RUZDIDTESA-N 1 1 403.526 3.646 20 30 HHEDMO N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000586920392 1072502684 /nfs/dbraw/zinc/50/26/84/1072502684.db2.gz WWERLQHYVBBXGC-FCHUYYIVSA-N 1 1 420.532 3.552 20 30 HHEDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000571073437 1072553434 /nfs/dbraw/zinc/55/34/34/1072553434.db2.gz MGFHSDFKOGRGDB-HNNXBMFYSA-N 1 1 402.296 3.776 20 30 HHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCOCc2ccc(C#N)cc2)C1 ZINC000588879063 1073324927 /nfs/dbraw/zinc/32/49/27/1073324927.db2.gz JRIWINCUMMCQHE-IBGZPJMESA-N 1 1 400.567 3.617 20 30 HHEDMO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[NH+](Cc4ccccc4)CC3)s2)cc1 ZINC000555417495 1073452679 /nfs/dbraw/zinc/45/26/79/1073452679.db2.gz UHULCOCCOWQYHF-UHFFFAOYSA-N 1 1 417.538 3.955 20 30 HHEDMO N#Cc1ccccc1COc1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000590053236 1073528837 /nfs/dbraw/zinc/52/88/37/1073528837.db2.gz DRIQSLLAXSDFGE-UHFFFAOYSA-N 1 1 409.493 3.726 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000590097752 1073582630 /nfs/dbraw/zinc/58/26/30/1073582630.db2.gz UUHDBGSCTYQABO-FGCOXFRFSA-N 1 1 402.542 3.655 20 30 HHEDMO CC(C)C[C@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000590615116 1073942154 /nfs/dbraw/zinc/94/21/54/1073942154.db2.gz QWYZHVWHTREIME-VWLOTQADSA-N 1 1 418.585 3.970 20 30 HHEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000590934021 1074040693 /nfs/dbraw/zinc/04/06/93/1074040693.db2.gz NDWSFDSJXQVECN-QGZVFWFLSA-N 1 1 422.920 3.860 20 30 HHEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000590934021 1074040699 /nfs/dbraw/zinc/04/06/99/1074040699.db2.gz NDWSFDSJXQVECN-QGZVFWFLSA-N 1 1 422.920 3.860 20 30 HHEDMO C=CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573021320 1074061956 /nfs/dbraw/zinc/06/19/56/1074061956.db2.gz SOVKFQGUEUKFGE-BGYRXZFFSA-N 1 1 403.505 3.838 20 30 HHEDMO N#Cc1ccc2nc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCC3(F)F)ncc2c1 ZINC000573040913 1074070639 /nfs/dbraw/zinc/07/06/39/1074070639.db2.gz VWZDDAOOEOLCND-GOSISDBHSA-N 1 1 407.424 3.597 20 30 HHEDMO Oc1ccc(Br)cc1/C=N/C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760977987 1074770227 /nfs/dbraw/zinc/77/02/27/1074770227.db2.gz FUDFJPSNBQWTDI-VVJWVBNBSA-N 1 1 403.320 3.865 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21)c1ccc2c(c1)OCO2 ZINC000761096975 1075404933 /nfs/dbraw/zinc/40/49/33/1075404933.db2.gz TUKAWQNSWOBRSI-XLIONFOSSA-N 1 1 406.482 3.608 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)C[N@H+]1CC[C@@H]2C[C@@H]21)c1ccc2c(c1)OCO2 ZINC000761096975 1075404935 /nfs/dbraw/zinc/40/49/35/1075404935.db2.gz TUKAWQNSWOBRSI-XLIONFOSSA-N 1 1 406.482 3.608 20 30 HHEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213553 1075544483 /nfs/dbraw/zinc/54/44/83/1075544483.db2.gz VTBWGKIHJOPPHZ-SFHVURJKSA-N 1 1 404.518 3.721 20 30 HHEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213553 1075544486 /nfs/dbraw/zinc/54/44/86/1075544486.db2.gz VTBWGKIHJOPPHZ-SFHVURJKSA-N 1 1 404.518 3.721 20 30 HHEDMO C=CCN(CC1CCCCC1)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000601882102 1075661851 /nfs/dbraw/zinc/66/18/51/1075661851.db2.gz DPJVMOJYQVRVMU-HXUWFJFHSA-N 1 1 404.624 3.815 20 30 HHEDMO COc1ccccc1CNC(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328605010 569417846 /nfs/dbraw/zinc/41/78/46/569417846.db2.gz LXCKUYXJWVOFSY-WZONZLPQSA-N 1 1 410.518 3.541 20 30 HHEDMO COc1ccccc1CNC(=O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328605010 569417847 /nfs/dbraw/zinc/41/78/47/569417847.db2.gz LXCKUYXJWVOFSY-WZONZLPQSA-N 1 1 410.518 3.541 20 30 HHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2 ZINC001164649004 719311402 /nfs/dbraw/zinc/31/14/02/719311402.db2.gz NMNWONIZDFBGDB-UHFFFAOYSA-N 1 1 408.884 3.553 20 30 HHEDMO N#C[C@H](c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nn1)c1ccccc1F ZINC001164723963 720405767 /nfs/dbraw/zinc/40/57/67/720405767.db2.gz IIPODJCCRVCVJE-PMOQBDJRSA-N 1 1 414.488 3.519 20 30 HHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)c(Cl)cc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836704 720544396 /nfs/dbraw/zinc/54/43/96/720544396.db2.gz KSMDHTNWJXSPEQ-XYJFISCASA-N 1 1 419.360 3.834 20 30 HHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C#C[Si](C)(C)C)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835187 720639403 /nfs/dbraw/zinc/63/94/03/720639403.db2.gz AOGCATQFZWOTOB-RJGXRXQPSA-N 1 1 421.665 3.885 20 30 HHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(C#N)c[nH]c3n1)CC2 ZINC001164839612 720695636 /nfs/dbraw/zinc/69/56/36/720695636.db2.gz APNXYFLKCMNNAE-FQEVSTJZSA-N 1 1 401.514 3.694 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)ncc1C#N)[C@H]2C ZINC001164856141 720968069 /nfs/dbraw/zinc/96/80/69/720968069.db2.gz BAOKFTURKDBUDJ-ZDUSSCGKSA-N 1 1 408.884 3.769 20 30 HHEDMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164897842 721513485 /nfs/dbraw/zinc/51/34/85/721513485.db2.gz GNZKIZBDXJVBIU-AEFFLSMTSA-N 1 1 400.885 3.705 20 30 HHEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900961 721515397 /nfs/dbraw/zinc/51/53/97/721515397.db2.gz VEQVWTPQOHTWLN-GDBMZVCRSA-N 1 1 422.838 3.633 20 30 HHEDMO N#Cc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl ZINC001164906348 721535853 /nfs/dbraw/zinc/53/58/53/721535853.db2.gz JZNBZEQPGBFJKN-WMZOPIPTSA-N 1 1 422.838 3.633 20 30 HHEDMO N#Cc1cc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906276 721699630 /nfs/dbraw/zinc/69/96/30/721699630.db2.gz NBUZDPNOVGBPOI-LJQANCHMSA-N 1 1 403.864 3.739 20 30 HHEDMO N#Cc1cc2c(nc1N1CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C1)CCC2 ZINC001164913083 721724550 /nfs/dbraw/zinc/72/45/50/721724550.db2.gz SIFVGUKWJPBBID-QFIPXVFZSA-N 1 1 409.484 3.575 20 30 HHEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5[nH]c(C#N)cc5n4)CC3)C2)cc1 ZINC001164939155 721930666 /nfs/dbraw/zinc/93/06/66/721930666.db2.gz JMEONRJSTFEKJX-UHFFFAOYSA-N 1 1 401.514 3.614 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CCO)Cc2ccc(C)cc2)c1C#N ZINC000542132455 1013063283 /nfs/dbraw/zinc/06/32/83/1013063283.db2.gz CBNZABDUISGNGK-UHFFFAOYSA-N 1 1 408.546 3.833 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCO)Cc2ccc(C)cc2)c1C#N ZINC000542132455 1013063297 /nfs/dbraw/zinc/06/32/97/1013063297.db2.gz CBNZABDUISGNGK-UHFFFAOYSA-N 1 1 408.546 3.833 20 30 HHEDMO Cc1ccc(C2CC[NH+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000542133805 1013066603 /nfs/dbraw/zinc/06/66/03/1013066603.db2.gz IGPNPGOZTVFVPT-UHFFFAOYSA-N 1 1 415.459 3.756 20 30 HHEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000302944341 971409866 /nfs/dbraw/zinc/40/98/66/971409866.db2.gz BVYGRELYXVOOPC-HSZRJFAPSA-N 1 1 405.473 3.577 20 30 HHEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000302944344 971410221 /nfs/dbraw/zinc/41/02/21/971410221.db2.gz BVYGRELYXVOOPC-QHCPKHFHSA-N 1 1 405.473 3.577 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2CCC(n3ccnc3)CC2)c1C#N ZINC000303364707 971660679 /nfs/dbraw/zinc/66/06/79/971660679.db2.gz JYFMIRCMFYCQPM-UHFFFAOYSA-N 1 1 420.492 3.577 20 30 HHEDMO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccccc1 ZINC000303498165 971797139 /nfs/dbraw/zinc/79/71/39/971797139.db2.gz UJZCOPGSSDCSMJ-KRWDZBQOSA-N 1 1 403.448 3.877 20 30 HHEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303761883 972011611 /nfs/dbraw/zinc/01/16/11/972011611.db2.gz ORUDMORACBHSDU-UTKZUKDTSA-N 1 1 420.557 3.720 20 30 HHEDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000303788956 972028212 /nfs/dbraw/zinc/02/82/12/972028212.db2.gz JPVGPWSHBNHPFZ-VQIMIIECSA-N 1 1 417.962 3.885 20 30 HHEDMO CC[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000553205437 1013166668 /nfs/dbraw/zinc/16/66/68/1013166668.db2.gz ILQVIDRLHVJHCA-QFIPXVFZSA-N 1 1 409.505 3.978 20 30 HHEDMO C[N@H+](CC(=O)NCc1cccs1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537637865 1013194125 /nfs/dbraw/zinc/19/41/25/1013194125.db2.gz CUJJEDGSXBYIKV-UHFFFAOYSA-N 1 1 405.523 3.947 20 30 HHEDMO C[N@@H+](CC(=O)NCc1cccs1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537637865 1013194133 /nfs/dbraw/zinc/19/41/33/1013194133.db2.gz CUJJEDGSXBYIKV-UHFFFAOYSA-N 1 1 405.523 3.947 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000553253361 1013220888 /nfs/dbraw/zinc/22/08/88/1013220888.db2.gz IIBVMKLXTNVHLV-YLJYHZDGSA-N 1 1 424.570 3.686 20 30 HHEDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)c(OC)c1 ZINC000007974077 961388517 /nfs/dbraw/zinc/38/85/17/961388517.db2.gz JPOUCLJXVIHZNO-UHFFFAOYSA-N 1 1 413.543 3.976 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553355685 1013296356 /nfs/dbraw/zinc/29/63/56/1013296356.db2.gz IOMXCHFOUZVANY-KRWDZBQOSA-N 1 1 411.525 3.811 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553357517 1013297303 /nfs/dbraw/zinc/29/73/03/1013297303.db2.gz SWVLQIHLJGWICS-MRXNPFEDSA-N 1 1 405.477 3.979 20 30 HHEDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC ZINC000011215198 962033280 /nfs/dbraw/zinc/03/32/80/962033280.db2.gz MUVKBIZMXCUASJ-UHFFFAOYSA-N 1 1 413.543 3.976 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015057209 962642845 /nfs/dbraw/zinc/64/28/45/962642845.db2.gz IQOTYYOUJPFUHS-OAHLLOKOSA-N 1 1 410.905 3.889 20 30 HHEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000553450140 1013363396 /nfs/dbraw/zinc/36/33/96/1013363396.db2.gz PEJVDPMLADDPDS-SFHVURJKSA-N 1 1 416.541 3.762 20 30 HHEDMO COc1ccccc1N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000016444365 963043685 /nfs/dbraw/zinc/04/36/85/963043685.db2.gz JZNMEMSJRJJUDT-UHFFFAOYSA-N 1 1 424.570 3.658 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553511093 1013410545 /nfs/dbraw/zinc/41/05/45/1013410545.db2.gz PHCVSFWDENSLND-VWLOTQADSA-N 1 1 406.526 3.998 20 30 HHEDMO CC[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000023218087 963784402 /nfs/dbraw/zinc/78/44/02/963784402.db2.gz GCDQRALQJCVKOR-UHFFFAOYSA-N 1 1 424.448 3.928 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000023218087 963784411 /nfs/dbraw/zinc/78/44/11/963784411.db2.gz GCDQRALQJCVKOR-UHFFFAOYSA-N 1 1 424.448 3.928 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Br)cc3F)CC2)cc1 ZINC000023753586 963884993 /nfs/dbraw/zinc/88/49/93/963884993.db2.gz OKPAAWTWWXUNPT-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Br)cc3F)CC2)cc1 ZINC000023753586 963884996 /nfs/dbraw/zinc/88/49/96/963884996.db2.gz OKPAAWTWWXUNPT-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO CC(=O)c1ccc(C#N)c(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000542508380 1013453291 /nfs/dbraw/zinc/45/32/91/1013453291.db2.gz VQRZVKNUNUYWMU-UHFFFAOYSA-N 1 1 407.514 3.863 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(OC)c1 ZINC000025304433 964237003 /nfs/dbraw/zinc/23/70/03/964237003.db2.gz SFNPIJZLQCZNCP-IFMALSPDSA-N 1 1 424.541 3.514 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000025421469 964267963 /nfs/dbraw/zinc/26/79/63/964267963.db2.gz ZMINSCFUMXSYEC-JOCHJYFZSA-N 1 1 404.558 3.756 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000051054727 964453622 /nfs/dbraw/zinc/45/36/22/964453622.db2.gz LASWVPBNTJRFDO-ZWKOTPCHSA-N 1 1 403.592 3.920 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000051054727 964453625 /nfs/dbraw/zinc/45/36/25/964453625.db2.gz LASWVPBNTJRFDO-ZWKOTPCHSA-N 1 1 403.592 3.920 20 30 HHEDMO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026225614 964492811 /nfs/dbraw/zinc/49/28/11/964492811.db2.gz QFYHLNGLRCYGHK-UHFFFAOYSA-N 1 1 405.285 3.764 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000026225614 964492838 /nfs/dbraw/zinc/49/28/38/964492838.db2.gz QFYHLNGLRCYGHK-UHFFFAOYSA-N 1 1 405.285 3.764 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3c[nH]c4cc(F)ccc34)CC2)cc1 ZINC000051753194 964686949 /nfs/dbraw/zinc/68/69/49/964686949.db2.gz JEADEBIDZVQPNK-UHFFFAOYSA-N 1 1 419.504 3.639 20 30 HHEDMO C=CCc1cc(CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc(OC)c1OC ZINC000051778560 964696410 /nfs/dbraw/zinc/69/64/10/964696410.db2.gz WZRHTMUJULPSJC-UHFFFAOYSA-N 1 1 403.567 3.694 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000027417932 964885177 /nfs/dbraw/zinc/88/51/77/964885177.db2.gz CFPOTGMNCPCOIY-GOSISDBHSA-N 1 1 422.504 3.812 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000027417937 964885311 /nfs/dbraw/zinc/88/53/11/964885311.db2.gz CFPOTGMNCPCOIY-SFHVURJKSA-N 1 1 422.504 3.812 20 30 HHEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)nc1 ZINC000052384694 964891533 /nfs/dbraw/zinc/89/15/33/964891533.db2.gz SVEGAITULKLZIQ-UHFFFAOYSA-N 1 1 405.483 3.912 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953152 965007115 /nfs/dbraw/zinc/00/71/15/965007115.db2.gz DJDGXHQGZWGTLN-RBUKOAKNSA-N 1 1 422.504 3.812 20 30 HHEDMO C[N@@H+](CCOc1ccc(Br)cc1)CCC(=O)Nc1ccccc1C#N ZINC000028895842 965210600 /nfs/dbraw/zinc/21/06/00/965210600.db2.gz LZSVHXGGCGELOV-UHFFFAOYSA-N 1 1 402.292 3.660 20 30 HHEDMO Cc1noc([C@@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000054677395 965607350 /nfs/dbraw/zinc/60/73/50/965607350.db2.gz YIJFBLZVYDQRRE-OAHLLOKOSA-N 1 1 413.547 3.788 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000054809215 965654613 /nfs/dbraw/zinc/65/46/13/965654613.db2.gz SZYMWEVUHVWHGE-UHFFFAOYSA-N 1 1 402.542 3.897 20 30 HHEDMO CC(C)[N@@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)Cc1ccc(C#N)cc1 ZINC000058396944 965719116 /nfs/dbraw/zinc/71/91/16/965719116.db2.gz BDMSBAATTBZBLP-UHFFFAOYSA-N 1 1 424.976 3.766 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055032125 965736333 /nfs/dbraw/zinc/73/63/33/965736333.db2.gz PGXSXHJZXIIPJQ-IBGZPJMESA-N 1 1 419.529 3.608 20 30 HHEDMO CN(C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)[C@@H]1CCCc2ccccc21 ZINC000058580578 965793652 /nfs/dbraw/zinc/79/36/52/965793652.db2.gz QPISOPGIIHOSSW-XMMPIXPASA-N 1 1 402.542 3.606 20 30 HHEDMO CN(C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)[C@@H]1CCCc2ccccc21 ZINC000058580578 965793664 /nfs/dbraw/zinc/79/36/64/965793664.db2.gz QPISOPGIIHOSSW-XMMPIXPASA-N 1 1 402.542 3.606 20 30 HHEDMO CC[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477290 966163660 /nfs/dbraw/zinc/16/36/60/966163660.db2.gz QZXPQVUNYCQWPO-LJQANCHMSA-N 1 1 401.514 3.502 20 30 HHEDMO Cc1nc(SCC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C#N)c(C)c1C ZINC000056168337 966243727 /nfs/dbraw/zinc/24/37/27/966243727.db2.gz KCVYICOZXQMWKF-AZUAARDMSA-N 1 1 408.571 3.922 20 30 HHEDMO C=CCc1ccc(OCC(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000032446390 966257180 /nfs/dbraw/zinc/25/71/80/966257180.db2.gz GPVKQCJOWKVSLL-JOCHJYFZSA-N 1 1 408.542 3.756 20 30 HHEDMO COc1c(F)cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000056717818 966430314 /nfs/dbraw/zinc/43/03/14/966430314.db2.gz AXJKRQXEOYPJSE-UHFFFAOYSA-N 1 1 400.429 3.585 20 30 HHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000061761256 966543444 /nfs/dbraw/zinc/54/34/44/966543444.db2.gz GMYMHYMRPYHENC-VWLOTQADSA-N 1 1 406.526 3.852 20 30 HHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000061761256 966543449 /nfs/dbraw/zinc/54/34/49/966543449.db2.gz GMYMHYMRPYHENC-VWLOTQADSA-N 1 1 406.526 3.852 20 30 HHEDMO C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542760156 1013665902 /nfs/dbraw/zinc/66/59/02/1013665902.db2.gz LTQIUDVVXPWSFL-LJQANCHMSA-N 1 1 420.557 3.774 20 30 HHEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000042229270 966751283 /nfs/dbraw/zinc/75/12/83/966751283.db2.gz YXVWIWSTPMOOMG-UHFFFAOYSA-N 1 1 410.315 3.996 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCn3ccc4ccccc43)CC2)cc1 ZINC000042821434 966853377 /nfs/dbraw/zinc/85/33/77/966853377.db2.gz HHBVJFKJVNAMAK-UHFFFAOYSA-N 1 1 415.541 3.821 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000063503829 966877681 /nfs/dbraw/zinc/87/76/81/966877681.db2.gz WNHGGTGFOSOBFZ-IBGZPJMESA-N 1 1 419.447 3.529 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000063580725 966894146 /nfs/dbraw/zinc/89/41/46/966894146.db2.gz BJGPDCRPLARQCM-LJQANCHMSA-N 1 1 414.303 3.723 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000063580725 966894167 /nfs/dbraw/zinc/89/41/67/966894167.db2.gz BJGPDCRPLARQCM-LJQANCHMSA-N 1 1 414.303 3.723 20 30 HHEDMO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(C#N)cc1 ZINC000063751081 966946762 /nfs/dbraw/zinc/94/67/62/966946762.db2.gz DEKJDTAJEXBHAJ-UHFFFAOYSA-N 1 1 408.893 3.641 20 30 HHEDMO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(C#N)cc1 ZINC000063751081 966946769 /nfs/dbraw/zinc/94/67/69/966946769.db2.gz DEKJDTAJEXBHAJ-UHFFFAOYSA-N 1 1 408.893 3.641 20 30 HHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000063753445 966947912 /nfs/dbraw/zinc/94/79/12/966947912.db2.gz DQEIJBZDIDSGCE-SFHVURJKSA-N 1 1 409.313 3.753 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000063788419 966957872 /nfs/dbraw/zinc/95/78/72/966957872.db2.gz PPFKSWNRSUURGD-UHFFFAOYSA-N 1 1 408.546 3.757 20 30 HHEDMO C=CCn1c(SC[C@@H](O)C[N@H+]2CCc3ccccc3C2)nnc1-c1ccoc1C ZINC000065169541 967399592 /nfs/dbraw/zinc/39/95/92/967399592.db2.gz WPSNPJYJNUASIU-IBGZPJMESA-N 1 1 410.543 3.544 20 30 HHEDMO C=CCc1cc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000065290445 967429658 /nfs/dbraw/zinc/42/96/58/967429658.db2.gz UJUSBQLWHCLLMI-QFIPXVFZSA-N 1 1 423.557 3.896 20 30 HHEDMO C=CCc1cc(CNC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000065388984 967450623 /nfs/dbraw/zinc/45/06/23/967450623.db2.gz ZUVAQNUXGZFGSO-UHFFFAOYSA-N 1 1 423.557 3.768 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](CO)c2cccc(F)c2)c1C#N ZINC000542879315 1013728235 /nfs/dbraw/zinc/72/82/35/1013728235.db2.gz FYTSCXSORFTYCU-NRFANRHFSA-N 1 1 424.451 3.506 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000045804668 967557007 /nfs/dbraw/zinc/55/70/07/967557007.db2.gz WKXVBBXOVKMCOQ-CVEARBPZSA-N 1 1 416.953 3.509 20 30 HHEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000538180088 1013738907 /nfs/dbraw/zinc/73/89/07/1013738907.db2.gz LELNZRQIPSZRDS-LBPRGKRZSA-N 1 1 403.276 3.951 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(OCC(F)(F)F)cc3)CC2)cc1 ZINC000046325422 967742806 /nfs/dbraw/zinc/74/28/06/967742806.db2.gz IBTVIHYNLTXVFL-UHFFFAOYSA-N 1 1 417.431 3.847 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(OCC(F)(F)F)cc3)CC2)cc1 ZINC000046325422 967742815 /nfs/dbraw/zinc/74/28/15/967742815.db2.gz IBTVIHYNLTXVFL-UHFFFAOYSA-N 1 1 417.431 3.847 20 30 HHEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](COc2ccccc2)c2ccccc2)cc1 ZINC000538216862 1013768469 /nfs/dbraw/zinc/76/84/69/1013768469.db2.gz RZCXTBDDKVUCCF-QHCPKHFHSA-N 1 1 406.507 3.742 20 30 HHEDMO Cc1[nH+]ccn1CCCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000048126249 968443556 /nfs/dbraw/zinc/44/35/56/968443556.db2.gz RMVNGRFMFXGYCY-UHFFFAOYSA-N 1 1 402.458 3.527 20 30 HHEDMO COc1ccccc1[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+](C)C ZINC000048183626 968473941 /nfs/dbraw/zinc/47/39/41/968473941.db2.gz GPWDJYFYJTUBGI-HXUWFJFHSA-N 1 1 419.481 3.772 20 30 HHEDMO COc1ccc(S[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048346122 968526159 /nfs/dbraw/zinc/52/61/59/968526159.db2.gz BMGMBZTXTWIFSF-SFHVURJKSA-N 1 1 409.555 3.782 20 30 HHEDMO COc1ccc(S[C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048346122 968526164 /nfs/dbraw/zinc/52/61/64/968526164.db2.gz BMGMBZTXTWIFSF-SFHVURJKSA-N 1 1 409.555 3.782 20 30 HHEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H](C)C1 ZINC000554128953 1013811499 /nfs/dbraw/zinc/81/14/99/1013811499.db2.gz VWAMRQSBRCPDKO-JXQFQVJHSA-N 1 1 403.526 3.940 20 30 HHEDMO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(F)cc1 ZINC000538276343 1013815639 /nfs/dbraw/zinc/81/56/39/1013815639.db2.gz PRNYDQVOCWQAGR-NRFANRHFSA-N 1 1 424.476 3.673 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065956388 968735700 /nfs/dbraw/zinc/73/57/00/968735700.db2.gz CPBBGDJTBKFKAY-FQEVSTJZSA-N 1 1 420.557 3.931 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000065963873 968739504 /nfs/dbraw/zinc/73/95/04/968739504.db2.gz IOFIPXWHGKGBMG-UHFFFAOYSA-N 1 1 424.589 3.711 20 30 HHEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000108975832 969442876 /nfs/dbraw/zinc/44/28/76/969442876.db2.gz IIEHFRTYZLQRRA-LEWJYISDSA-N 1 1 412.578 3.567 20 30 HHEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000109307127 969495777 /nfs/dbraw/zinc/49/57/77/969495777.db2.gz YHYJRDXROXRJLT-ZJSXRUAMSA-N 1 1 405.542 3.990 20 30 HHEDMO C#CCN1CCC(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000109407534 969513587 /nfs/dbraw/zinc/51/35/87/969513587.db2.gz PXAJYJLAOGUEFU-UHFFFAOYSA-N 1 1 410.389 3.619 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)cc1 ZINC000554272810 1013887261 /nfs/dbraw/zinc/88/72/61/1013887261.db2.gz SYIRTTGYIPXXAA-INIZCTEOSA-N 1 1 424.545 3.538 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110004915 969608829 /nfs/dbraw/zinc/60/88/29/969608829.db2.gz QPLRPXHLUBGHFI-QAPCUYQASA-N 1 1 419.460 3.954 20 30 HHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110004915 969608832 /nfs/dbraw/zinc/60/88/32/969608832.db2.gz QPLRPXHLUBGHFI-QAPCUYQASA-N 1 1 419.460 3.954 20 30 HHEDMO COc1cc(C#N)ccc1OC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000110124254 969626825 /nfs/dbraw/zinc/62/68/25/969626825.db2.gz OHAZITIXBDLNMZ-HXUWFJFHSA-N 1 1 404.388 3.927 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)C[C@H](C)C#N ZINC000110984526 969754143 /nfs/dbraw/zinc/75/41/43/969754143.db2.gz YXSLISARIIUDJJ-QGZVFWFLSA-N 1 1 408.502 3.758 20 30 HHEDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000110988718 969754982 /nfs/dbraw/zinc/75/49/82/969754982.db2.gz GGMCUPICVMTLSK-SFHVURJKSA-N 1 1 408.546 3.610 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000113177277 969825858 /nfs/dbraw/zinc/82/58/58/969825858.db2.gz VVDIHDQSGRFWGN-UHFFFAOYSA-N 1 1 402.420 3.728 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000113177277 969825863 /nfs/dbraw/zinc/82/58/63/969825863.db2.gz VVDIHDQSGRFWGN-UHFFFAOYSA-N 1 1 402.420 3.728 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000138339423 969989631 /nfs/dbraw/zinc/98/96/31/969989631.db2.gz HJSHBUOKMDAKNY-IBGZPJMESA-N 1 1 414.303 3.723 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000138339423 969989637 /nfs/dbraw/zinc/98/96/37/969989637.db2.gz HJSHBUOKMDAKNY-IBGZPJMESA-N 1 1 414.303 3.723 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000226476357 970108964 /nfs/dbraw/zinc/10/89/64/970108964.db2.gz ZMUDIMLRDJJAJU-WMZOPIPTSA-N 1 1 423.492 3.558 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000226476357 970108970 /nfs/dbraw/zinc/10/89/70/970108970.db2.gz ZMUDIMLRDJJAJU-WMZOPIPTSA-N 1 1 423.492 3.558 20 30 HHEDMO CCC[NH+]1CCN(c2ccccc2CN2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000554558708 1013977282 /nfs/dbraw/zinc/97/72/82/1013977282.db2.gz LOSVIZYPHMXJQN-UHFFFAOYSA-N 1 1 403.574 3.671 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCCO2)c1C#N ZINC000165861621 970460918 /nfs/dbraw/zinc/46/09/18/970460918.db2.gz FBFZWWCMFYIMHP-FQEVSTJZSA-N 1 1 412.509 3.603 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCCO2)c1C#N ZINC000165861621 970460921 /nfs/dbraw/zinc/46/09/21/970460921.db2.gz FBFZWWCMFYIMHP-FQEVSTJZSA-N 1 1 412.509 3.603 20 30 HHEDMO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000255507939 970585358 /nfs/dbraw/zinc/58/53/58/970585358.db2.gz OJJXJOJPSGWHNK-UHFFFAOYSA-N 1 1 407.392 3.531 20 30 HHEDMO C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000409882886 973348943 /nfs/dbraw/zinc/34/89/43/973348943.db2.gz DKFNLXDZOVJQMS-FPOVZHCZSA-N 1 1 405.889 3.573 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000409882886 973348954 /nfs/dbraw/zinc/34/89/54/973348954.db2.gz DKFNLXDZOVJQMS-FPOVZHCZSA-N 1 1 405.889 3.573 20 30 HHEDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2cccnc12 ZINC000426082810 974206161 /nfs/dbraw/zinc/20/61/61/974206161.db2.gz BJIVVTWQHLDSMJ-UHFFFAOYSA-N 1 1 415.497 3.855 20 30 HHEDMO Cc1nc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)sc1SCC#N ZINC000426117152 974240293 /nfs/dbraw/zinc/24/02/93/974240293.db2.gz ZKNBKELTQMNGLX-UHFFFAOYSA-N 1 1 406.443 3.838 20 30 HHEDMO C[N@H+](CCNC(=O)C1CCN(CC#Cc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000426453470 974459935 /nfs/dbraw/zinc/45/99/35/974459935.db2.gz GSCXVIMUGRTFFV-UHFFFAOYSA-N 1 1 423.988 3.652 20 30 HHEDMO C[N@@H+](CCNC(=O)C1CCN(CC#Cc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000426453470 974459937 /nfs/dbraw/zinc/45/99/37/974459937.db2.gz GSCXVIMUGRTFFV-UHFFFAOYSA-N 1 1 423.988 3.652 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@H]1C ZINC000426985075 974800028 /nfs/dbraw/zinc/80/00/28/974800028.db2.gz DQRJPHKYCHVEPI-FXAWDEMLSA-N 1 1 420.513 3.620 20 30 HHEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000427490139 975144807 /nfs/dbraw/zinc/14/48/07/975144807.db2.gz HJLFQSJRMCRSPS-QGZVFWFLSA-N 1 1 424.570 3.748 20 30 HHEDMO C[C@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000428795332 976071391 /nfs/dbraw/zinc/07/13/91/976071391.db2.gz RAUKETFEELOVOC-BBRMVZONSA-N 1 1 419.312 3.591 20 30 HHEDMO C[C@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000428795332 976071408 /nfs/dbraw/zinc/07/14/08/976071408.db2.gz RAUKETFEELOVOC-BBRMVZONSA-N 1 1 419.312 3.591 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1C#N ZINC000429014324 976295844 /nfs/dbraw/zinc/29/58/44/976295844.db2.gz YDYBZDPDLDFMDZ-HYFFOGBASA-N 1 1 411.594 3.692 20 30 HHEDMO C=CCOc1cccc(NC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000429054934 976342324 /nfs/dbraw/zinc/34/23/24/976342324.db2.gz KZWOZIMZNPABDX-KDURUIRLSA-N 1 1 401.551 3.995 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000429560746 976828665 /nfs/dbraw/zinc/82/86/65/976828665.db2.gz KAFUUIURDWRQTA-DEOSSOPVSA-N 1 1 422.529 3.760 20 30 HHEDMO N#CCCn1ncc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000429727494 977017394 /nfs/dbraw/zinc/01/73/94/977017394.db2.gz VBGRVDUMCQOOSC-UHFFFAOYSA-N 1 1 413.525 3.812 20 30 HHEDMO C[C@H]1C[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000429810846 977085706 /nfs/dbraw/zinc/08/57/06/977085706.db2.gz CBHLXESZZTXDLK-UGKGYDQZSA-N 1 1 413.525 3.857 20 30 HHEDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430184564 977376857 /nfs/dbraw/zinc/37/68/57/977376857.db2.gz GQSWKYAPWRCZRS-JOCHJYFZSA-N 1 1 401.514 3.777 20 30 HHEDMO N#Cc1ccccc1COc1cccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)c1 ZINC000430200861 977388289 /nfs/dbraw/zinc/38/82/89/977388289.db2.gz ICFGBUHINGHKSL-UHFFFAOYSA-N 1 1 424.566 3.928 20 30 HHEDMO N#Cc1cccc(COc2cccc(C[NH+]3CCC4(CC3)CCS(=O)(=O)CC4)c2)c1 ZINC000430219494 977399751 /nfs/dbraw/zinc/39/97/51/977399751.db2.gz OAISTAAIBYHYQO-UHFFFAOYSA-N 1 1 424.566 3.928 20 30 HHEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430728410 977714650 /nfs/dbraw/zinc/71/46/50/977714650.db2.gz CJACAUPAAVGOKB-DYVFJYSZSA-N 1 1 422.348 3.792 20 30 HHEDMO C[N@H+](CC(=O)NCC#N)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000430778356 977751793 /nfs/dbraw/zinc/75/17/93/977751793.db2.gz QXNQTABYHXMKCD-SFHVURJKSA-N 1 1 406.711 3.763 20 30 HHEDMO C[N@@H+](CC(=O)NCC#N)[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000430778356 977751798 /nfs/dbraw/zinc/75/17/98/977751798.db2.gz QXNQTABYHXMKCD-SFHVURJKSA-N 1 1 406.711 3.763 20 30 HHEDMO C=CCN1C(=O)N([C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431036259 977969436 /nfs/dbraw/zinc/96/94/36/977969436.db2.gz VXBPBTGOANSWCM-UEVCKROQSA-N 1 1 403.526 3.883 20 30 HHEDMO CCCN(C(=O)c1cccs1)C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000431158814 978058905 /nfs/dbraw/zinc/05/89/05/978058905.db2.gz DTWOMMQQKZGGOV-HTAPYJJXSA-N 1 1 418.607 3.508 20 30 HHEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431977752 978627586 /nfs/dbraw/zinc/62/75/86/978627586.db2.gz PMQZUIYWWJYXTJ-ZJSXRUAMSA-N 1 1 419.573 3.931 20 30 HHEDMO C[C@@H](c1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1)[NH+]1CCOCC1 ZINC000432500052 978851203 /nfs/dbraw/zinc/85/12/03/978851203.db2.gz JXUWZOABCJDAAG-SFHVURJKSA-N 1 1 420.513 3.699 20 30 HHEDMO N#Cc1ccccc1Sc1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000432536829 978871452 /nfs/dbraw/zinc/87/14/52/978871452.db2.gz RXJVNGDAPJNADK-IBGZPJMESA-N 1 1 409.555 3.676 20 30 HHEDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCCO1 ZINC000432542046 978875729 /nfs/dbraw/zinc/87/57/29/978875729.db2.gz MTFXXBNEMQEIII-QGZVFWFLSA-N 1 1 411.477 3.720 20 30 HHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432563689 978888769 /nfs/dbraw/zinc/88/87/69/978888769.db2.gz VJCIEKOMTRVTPG-LJQANCHMSA-N 1 1 407.514 3.890 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000432620877 978913500 /nfs/dbraw/zinc/91/35/00/978913500.db2.gz VFBGTIWKZZMDML-DEOSSOPVSA-N 1 1 402.542 3.969 20 30 HHEDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000433237597 979168982 /nfs/dbraw/zinc/16/89/82/979168982.db2.gz YLBJWNPNHRCLLE-HDICACEKSA-N 1 1 408.502 3.923 20 30 HHEDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000433237597 979168987 /nfs/dbraw/zinc/16/89/87/979168987.db2.gz YLBJWNPNHRCLLE-HDICACEKSA-N 1 1 408.502 3.923 20 30 HHEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433366821 979257704 /nfs/dbraw/zinc/25/77/04/979257704.db2.gz OVDLVKQIXGJNNZ-XZOQPEGZSA-N 1 1 405.542 3.978 20 30 HHEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CNc1ccc(C#N)cc1 ZINC000434360151 980114355 /nfs/dbraw/zinc/11/43/55/980114355.db2.gz OLLFARNHSNCGCR-JOCHJYFZSA-N 1 1 414.513 3.561 20 30 HHEDMO CCOc1ccccc1N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434832988 980430743 /nfs/dbraw/zinc/43/07/43/980430743.db2.gz HYDLYHRBGHAKDF-UHFFFAOYSA-N 1 1 416.529 3.580 20 30 HHEDMO N#CCCn1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(-c2ccncc2)n1 ZINC000434835989 980432588 /nfs/dbraw/zinc/43/25/88/980432588.db2.gz IUGWIUBNZQNLBY-UHFFFAOYSA-N 1 1 420.948 3.830 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(c3c[nH]cn3)CC2)c1C#N ZINC000434982083 980547648 /nfs/dbraw/zinc/54/76/48/980547648.db2.gz NGMDFXRNUUWQRH-UHFFFAOYSA-N 1 1 402.502 3.507 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](c2ccc(F)cc2)O1 ZINC000435127705 980658948 /nfs/dbraw/zinc/65/89/48/980658948.db2.gz YBIPCVQCKUVDPF-VGOFRKELSA-N 1 1 405.477 3.960 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](c2ccc(F)cc2)O1 ZINC000435127705 980658950 /nfs/dbraw/zinc/65/89/50/980658950.db2.gz YBIPCVQCKUVDPF-VGOFRKELSA-N 1 1 405.477 3.960 20 30 HHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131003 980662061 /nfs/dbraw/zinc/66/20/61/980662061.db2.gz AHQSRNZQKAPAFA-SFTDATJTSA-N 1 1 406.578 3.945 20 30 HHEDMO CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1C#N ZINC000435539326 980929500 /nfs/dbraw/zinc/92/95/00/980929500.db2.gz GOXAHLXXYRCLCA-UHFFFAOYSA-N 1 1 417.513 3.957 20 30 HHEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c(C(F)(F)F)c1 ZINC000435629469 980967216 /nfs/dbraw/zinc/96/72/16/980967216.db2.gz XOZVWOVNLKOIIM-INIZCTEOSA-N 1 1 415.481 3.652 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc1 ZINC000436267893 981277351 /nfs/dbraw/zinc/27/73/51/981277351.db2.gz DWYXPARCOCOVID-UHFFFAOYSA-N 1 1 405.380 3.593 20 30 HHEDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436344054 981313121 /nfs/dbraw/zinc/31/31/21/981313121.db2.gz KIPQUHWUPLNAEQ-RBUKOAKNSA-N 1 1 420.557 3.773 20 30 HHEDMO C=CCOc1ccc(CNc2ccccc2C[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC000436406284 981351463 /nfs/dbraw/zinc/35/14/63/981351463.db2.gz BZGRMNJRCQQMOC-UHFFFAOYSA-N 1 1 409.530 3.536 20 30 HHEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000436501172 981404164 /nfs/dbraw/zinc/40/41/64/981404164.db2.gz BSHWUSYRQLEKMU-UHFFFAOYSA-N 1 1 409.534 3.698 20 30 HHEDMO CN(CCCN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)CC[NH+](C)C ZINC000436501172 981404169 /nfs/dbraw/zinc/40/41/69/981404169.db2.gz BSHWUSYRQLEKMU-UHFFFAOYSA-N 1 1 409.534 3.698 20 30 HHEDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000436503319 981406115 /nfs/dbraw/zinc/40/61/15/981406115.db2.gz LSXLKYYLVDWGNV-UHFFFAOYSA-N 1 1 409.534 3.698 20 30 HHEDMO CN(CCCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)CC[NH+](C)C ZINC000436503319 981406120 /nfs/dbraw/zinc/40/61/20/981406120.db2.gz LSXLKYYLVDWGNV-UHFFFAOYSA-N 1 1 409.534 3.698 20 30 HHEDMO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000448199533 981611482 /nfs/dbraw/zinc/61/14/82/981611482.db2.gz VPVLMFLOALHUPI-RXVVDRJESA-N 1 1 405.498 3.819 20 30 HHEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448223561 981637999 /nfs/dbraw/zinc/63/79/99/981637999.db2.gz OQKGVFSSUBZHOD-YLJYHZDGSA-N 1 1 405.464 3.715 20 30 HHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2C1 ZINC000437010675 981685568 /nfs/dbraw/zinc/68/55/68/981685568.db2.gz RBLGOTLXJVHKRK-REWPJTCUSA-N 1 1 416.525 3.649 20 30 HHEDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2C1 ZINC000437010675 981685573 /nfs/dbraw/zinc/68/55/73/981685573.db2.gz RBLGOTLXJVHKRK-REWPJTCUSA-N 1 1 416.525 3.649 20 30 HHEDMO N#Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OCC(F)(F)F ZINC000448383144 981740092 /nfs/dbraw/zinc/74/00/92/981740092.db2.gz OPJIHYNJJOLXDJ-KSSFIOAISA-N 1 1 422.451 3.980 20 30 HHEDMO C=CCOc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1OC ZINC000437352569 982002098 /nfs/dbraw/zinc/00/20/98/982002098.db2.gz NTZYQXTUUYWBEJ-HTAPYJJXSA-N 1 1 403.544 3.832 20 30 HHEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)c1 ZINC000437434048 982072624 /nfs/dbraw/zinc/07/26/24/982072624.db2.gz LIWYPLFDWDBGSJ-UHFFFAOYSA-N 1 1 410.424 3.882 20 30 HHEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3OC(F)F)C2)n1 ZINC000437438435 982075795 /nfs/dbraw/zinc/07/57/95/982075795.db2.gz JLQFUZYWHTVFQK-QGZVFWFLSA-N 1 1 400.429 3.714 20 30 HHEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)n1 ZINC000437438435 982075804 /nfs/dbraw/zinc/07/58/04/982075804.db2.gz JLQFUZYWHTVFQK-QGZVFWFLSA-N 1 1 400.429 3.714 20 30 HHEDMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2C1 ZINC000437515565 982140942 /nfs/dbraw/zinc/14/09/42/982140942.db2.gz QEFBMFWVWAEXAO-UHFFFAOYSA-N 1 1 412.449 3.873 20 30 HHEDMO C[N@H+]1Cc2ccc(NC(=O)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2C1 ZINC000437515565 982140944 /nfs/dbraw/zinc/14/09/44/982140944.db2.gz QEFBMFWVWAEXAO-UHFFFAOYSA-N 1 1 412.449 3.873 20 30 HHEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460566438 982351493 /nfs/dbraw/zinc/35/14/93/982351493.db2.gz RXUWSBKXSYAYDG-KGLIPLIRSA-N 1 1 407.360 3.531 20 30 HHEDMO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460786674 982539378 /nfs/dbraw/zinc/53/93/78/982539378.db2.gz LCAMFNGPVXEEGW-LQWHRVPQSA-N 1 1 411.550 3.676 20 30 HHEDMO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460886662 982624894 /nfs/dbraw/zinc/62/48/94/982624894.db2.gz WLOBHKDAAPIDCZ-XLNZFTOWSA-N 1 1 418.541 3.791 20 30 HHEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460929164 982667399 /nfs/dbraw/zinc/66/73/99/982667399.db2.gz CVFIOUIGHZRHDV-JOCHJYFZSA-N 1 1 402.546 3.551 20 30 HHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000461189536 982906996 /nfs/dbraw/zinc/90/69/96/982906996.db2.gz CTEYFKLAFADBPG-UHFFFAOYSA-N 1 1 411.575 3.518 20 30 HHEDMO N#Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C(F)(F)F ZINC000438638291 982957144 /nfs/dbraw/zinc/95/71/44/982957144.db2.gz XBPQVWYQKBQUBF-UHFFFAOYSA-N 1 1 418.419 3.731 20 30 HHEDMO CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000438661519 982979096 /nfs/dbraw/zinc/97/90/96/982979096.db2.gz SIPBNLOLYSFKLU-QFBILLFUSA-N 1 1 424.932 3.834 20 30 HHEDMO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[NH+]2CCSCC2)cc1F ZINC000438663495 982981585 /nfs/dbraw/zinc/98/15/85/982981585.db2.gz IDKNLVGBFIHKGY-UHFFFAOYSA-N 1 1 400.479 3.660 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000438779567 983066116 /nfs/dbraw/zinc/06/61/16/983066116.db2.gz USXLYLVHJLPVOQ-IBGZPJMESA-N 1 1 407.514 3.714 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000438779567 983066125 /nfs/dbraw/zinc/06/61/25/983066125.db2.gz USXLYLVHJLPVOQ-IBGZPJMESA-N 1 1 407.514 3.714 20 30 HHEDMO CN1CC[N@@H+](CCCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000438836025 983105247 /nfs/dbraw/zinc/10/52/47/983105247.db2.gz DRHUHHSERAPGBY-DNQXCXABSA-N 1 1 419.573 3.709 20 30 HHEDMO C[N@@H+]1CCN(CCCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000438836025 983105255 /nfs/dbraw/zinc/10/52/55/983105255.db2.gz DRHUHHSERAPGBY-DNQXCXABSA-N 1 1 419.573 3.709 20 30 HHEDMO C[N@H+]1CCN(CCCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000438836025 983105260 /nfs/dbraw/zinc/10/52/60/983105260.db2.gz DRHUHHSERAPGBY-DNQXCXABSA-N 1 1 419.573 3.709 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000438843309 983110511 /nfs/dbraw/zinc/11/05/11/983110511.db2.gz SEJMEKYXJFCQTE-GAJHUEQPSA-N 1 1 423.536 3.843 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000438843309 983110514 /nfs/dbraw/zinc/11/05/14/983110514.db2.gz SEJMEKYXJFCQTE-GAJHUEQPSA-N 1 1 423.536 3.843 20 30 HHEDMO N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)on2)c1 ZINC000461454943 983121419 /nfs/dbraw/zinc/12/14/19/983121419.db2.gz JAGURBSQIFGXLP-YADHBBJMSA-N 1 1 412.493 3.807 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCN(c3cc(C(F)(F)F)nc(-c4ccncc4)n3)CC2)cc1 ZINC000461459203 983125995 /nfs/dbraw/zinc/12/59/95/983125995.db2.gz AGWUBFYCBDXXEU-UHFFFAOYSA-N 1 1 424.430 3.751 20 30 HHEDMO COc1cc(OC)c2ncc(C#N)c(NCc3cccc(C[NH+]4CCOCC4)c3)c2c1 ZINC000439107202 983253006 /nfs/dbraw/zinc/25/30/06/983253006.db2.gz OVIQOPLVVPFPBF-UHFFFAOYSA-N 1 1 418.497 3.568 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1C#N ZINC000439284340 983345017 /nfs/dbraw/zinc/34/50/17/983345017.db2.gz MGUXWRMCGHIVEB-QHCPKHFHSA-N 1 1 420.557 3.854 20 30 HHEDMO C[C@@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)C(=O)Nc1ccccc1C#N ZINC000439596068 983465139 /nfs/dbraw/zinc/46/51/39/983465139.db2.gz NEYAEKPWYHQZQU-GOSISDBHSA-N 1 1 402.498 3.900 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000440049385 983625495 /nfs/dbraw/zinc/62/54/95/983625495.db2.gz IUWPHGLNNDXPFZ-APWZRJJASA-N 1 1 424.932 3.662 20 30 HHEDMO Cc1nc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1C#N ZINC000440431141 983754917 /nfs/dbraw/zinc/75/49/17/983754917.db2.gz OSBVNBSROHVYFJ-GOSISDBHSA-N 1 1 416.447 3.788 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000440537820 983788217 /nfs/dbraw/zinc/78/82/17/983788217.db2.gz ZTVOHLDYIZCJOU-GOSISDBHSA-N 1 1 424.932 3.521 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CCc3ccccc3[C@H]2CO)sc2c1CCCCC2 ZINC000440909879 983966582 /nfs/dbraw/zinc/96/65/82/983966582.db2.gz GSRYDCWSYPTXRE-HXUWFJFHSA-N 1 1 409.555 3.809 20 30 HHEDMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000441242005 984133743 /nfs/dbraw/zinc/13/37/43/984133743.db2.gz ZMJPORGYSOECBZ-YADARESESA-N 1 1 419.573 3.823 20 30 HHEDMO N#Cc1ccc(-c2nnc(CN3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000441253406 984140499 /nfs/dbraw/zinc/14/04/99/984140499.db2.gz KVFBSYALUAUACJ-UHFFFAOYSA-N 1 1 407.905 3.970 20 30 HHEDMO N#Cc1ccc(-c2nnc(CN3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000441253406 984140501 /nfs/dbraw/zinc/14/05/01/984140501.db2.gz KVFBSYALUAUACJ-UHFFFAOYSA-N 1 1 407.905 3.970 20 30 HHEDMO Cc1oc(NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000441273482 984152428 /nfs/dbraw/zinc/15/24/28/984152428.db2.gz CQLMNYBMXFJZGM-ZIAGYGMSSA-N 1 1 403.910 3.674 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000441420267 984241434 /nfs/dbraw/zinc/24/14/34/984241434.db2.gz YYDBTXJSIWXWQF-GCJKJVERSA-N 1 1 414.981 3.844 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c(OC)c1 ZINC000441446777 984255964 /nfs/dbraw/zinc/25/59/64/984255964.db2.gz YWJMVUYBPKTMGG-HWHXTQLESA-N 1 1 411.542 3.934 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](c3ccccc3C)OC[C@@H]2C)c(OC)c1 ZINC000441446777 984255970 /nfs/dbraw/zinc/25/59/70/984255970.db2.gz YWJMVUYBPKTMGG-HWHXTQLESA-N 1 1 411.542 3.934 20 30 HHEDMO N#Cc1cccc(COc2cccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)c2)c1 ZINC000461914147 984927587 /nfs/dbraw/zinc/92/75/87/984927587.db2.gz POVJLLRUOWWJIT-UHFFFAOYSA-N 1 1 402.454 3.973 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000462090723 985061881 /nfs/dbraw/zinc/06/18/81/985061881.db2.gz XAKCWIAJQOSBFB-SFHVURJKSA-N 1 1 421.549 3.647 20 30 HHEDMO CC[N@@H+](CCC1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1)CC1CC1 ZINC000462098661 985069407 /nfs/dbraw/zinc/06/94/07/985069407.db2.gz DLYYTSOIOJXZPI-UHFFFAOYSA-N 1 1 421.549 3.505 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000442634895 985110640 /nfs/dbraw/zinc/11/06/40/985110640.db2.gz OHJHIGIMLCJMHN-NRFANRHFSA-N 1 1 421.541 3.561 20 30 HHEDMO Cc1nc(SCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c(C)c1C ZINC000462191450 985173558 /nfs/dbraw/zinc/17/35/58/985173558.db2.gz SOCRBQDFMOXCRE-YCRPNKLZSA-N 1 1 408.571 3.607 20 30 HHEDMO COc1cc(CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000462469949 985427716 /nfs/dbraw/zinc/42/77/16/985427716.db2.gz BIISYUFLRJNIDL-UHFFFAOYSA-N 1 1 418.541 3.765 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462470517 985428178 /nfs/dbraw/zinc/42/81/78/985428178.db2.gz ZWSDLAZVXNGPKK-LSDHHAIUSA-N 1 1 414.600 3.876 20 30 HHEDMO C[C@H](C(=O)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000462547892 985495517 /nfs/dbraw/zinc/49/55/17/985495517.db2.gz JLSYBXJRQKGTJM-HBMCJLEFSA-N 1 1 419.569 3.987 20 30 HHEDMO C[C@@H](C(=O)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000462547898 985495533 /nfs/dbraw/zinc/49/55/33/985495533.db2.gz JLSYBXJRQKGTJM-QHAWAJNXSA-N 1 1 419.569 3.987 20 30 HHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)cc2)c1C ZINC000462776525 985712357 /nfs/dbraw/zinc/71/23/57/985712357.db2.gz STUZRGJRZABXDZ-UHFFFAOYSA-N 1 1 422.510 3.819 20 30 HHEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC2)c1 ZINC000443601768 985778697 /nfs/dbraw/zinc/77/86/97/985778697.db2.gz IMMXEYCBDSFMTA-UHFFFAOYSA-N 1 1 421.451 3.873 20 30 HHEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)cc1 ZINC000468261569 985963755 /nfs/dbraw/zinc/96/37/55/985963755.db2.gz VROHGDUQMMMTQX-UHFFFAOYSA-N 1 1 416.481 3.570 20 30 HHEDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)cc1 ZINC000468261569 985963765 /nfs/dbraw/zinc/96/37/65/985963765.db2.gz VROHGDUQMMMTQX-UHFFFAOYSA-N 1 1 416.481 3.570 20 30 HHEDMO O=C(C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444213071 986396488 /nfs/dbraw/zinc/39/64/88/986396488.db2.gz OTFMREBHHVPEOD-FQEVSTJZSA-N 1 1 408.464 3.597 20 30 HHEDMO C=CC[N@H+](CC(=O)c1cc(C)n(C2CC2)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000444255735 986453300 /nfs/dbraw/zinc/45/33/00/986453300.db2.gz DJBKZLWUUHKNBR-KRWDZBQOSA-N 1 1 404.518 3.847 20 30 HHEDMO C=CC[N@@H+](CC(=O)c1cc(C)n(C2CC2)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000444255735 986453307 /nfs/dbraw/zinc/45/33/07/986453307.db2.gz DJBKZLWUUHKNBR-KRWDZBQOSA-N 1 1 404.518 3.847 20 30 HHEDMO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000468897760 986604096 /nfs/dbraw/zinc/60/40/96/986604096.db2.gz HEYLDAFEPZAOPJ-DYESRHJHSA-N 1 1 400.482 3.854 20 30 HHEDMO C=CCN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000444458418 986640608 /nfs/dbraw/zinc/64/06/08/986640608.db2.gz FATVQCNHHOZURI-UHFFFAOYSA-N 1 1 410.587 3.602 20 30 HHEDMO C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000444555923 986747712 /nfs/dbraw/zinc/74/77/12/986747712.db2.gz UHZZWXNZVKCIQN-SFHVURJKSA-N 1 1 423.582 3.768 20 30 HHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000444589596 986776588 /nfs/dbraw/zinc/77/65/88/986776588.db2.gz JPFPKHNSKJIHST-UHFFFAOYSA-N 1 1 407.474 3.574 20 30 HHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000444589596 986776599 /nfs/dbraw/zinc/77/65/99/986776599.db2.gz JPFPKHNSKJIHST-UHFFFAOYSA-N 1 1 407.474 3.574 20 30 HHEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444627830 986814420 /nfs/dbraw/zinc/81/44/20/986814420.db2.gz ZIYIRMIAJGXLPD-AREMUKBSSA-N 1 1 416.613 3.988 20 30 HHEDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677690 986859310 /nfs/dbraw/zinc/85/93/10/986859310.db2.gz UOKCVIKAVGQNFQ-DHIUTWEWSA-N 1 1 406.526 3.929 20 30 HHEDMO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000444712241 986883881 /nfs/dbraw/zinc/88/38/81/986883881.db2.gz YOZCRNJVVULVIQ-MRXNPFEDSA-N 1 1 404.333 3.928 20 30 HHEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000444712241 986883896 /nfs/dbraw/zinc/88/38/96/986883896.db2.gz YOZCRNJVVULVIQ-MRXNPFEDSA-N 1 1 404.333 3.928 20 30 HHEDMO Cc1c(F)cccc1NC(=O)CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444780690 986937078 /nfs/dbraw/zinc/93/70/78/986937078.db2.gz GTSZEXSDRKIDQF-UHFFFAOYSA-N 1 1 400.885 3.810 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H](c4nccn4C)C3)sc2C1 ZINC000444791412 986946668 /nfs/dbraw/zinc/94/66/68/986946668.db2.gz BMFAGBNQRFAZDI-JKSUJKDBSA-N 1 1 411.575 3.686 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000444826177 986982456 /nfs/dbraw/zinc/98/24/56/986982456.db2.gz YNBQPWZQQBJVCN-QGZVFWFLSA-N 1 1 408.502 3.659 20 30 HHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000469437418 987123847 /nfs/dbraw/zinc/12/38/47/987123847.db2.gz YCGYCFRIHXSYEZ-ZEQRLZLVSA-N 1 1 420.557 3.798 20 30 HHEDMO FC(F)(F)c1ccc(O[C@@H]2CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C2)nc1 ZINC000469786516 987432142 /nfs/dbraw/zinc/43/21/42/987432142.db2.gz OEBCDDFCLQSYDC-LLVKDONJSA-N 1 1 408.289 3.768 20 30 HHEDMO N#Cc1ccc(CSCC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000469851630 987488470 /nfs/dbraw/zinc/48/84/70/987488470.db2.gz ZRKBTVGVIQCYIZ-NRFANRHFSA-N 1 1 411.596 3.525 20 30 HHEDMO N#Cc1ccc(CSCC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000469851630 987488475 /nfs/dbraw/zinc/48/84/75/987488475.db2.gz ZRKBTVGVIQCYIZ-NRFANRHFSA-N 1 1 411.596 3.525 20 30 HHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000470232131 988167406 /nfs/dbraw/zinc/16/74/06/988167406.db2.gz JOLAABHSFUSLBE-QFIPXVFZSA-N 1 1 403.526 3.941 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1C ZINC000470309972 988267570 /nfs/dbraw/zinc/26/75/70/988267570.db2.gz UPPANEQUWUUPTL-UHFFFAOYSA-N 1 1 407.562 3.932 20 30 HHEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000470479282 988468591 /nfs/dbraw/zinc/46/85/91/988468591.db2.gz CUZSNINQKLUXMI-SFHVURJKSA-N 1 1 405.498 3.676 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@@H]1C ZINC000470545344 988553214 /nfs/dbraw/zinc/55/32/14/988553214.db2.gz DJMKKAVZDMGZFL-PXNSSMCTSA-N 1 1 411.550 3.606 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000470553745 988567873 /nfs/dbraw/zinc/56/78/73/988567873.db2.gz QEVLRUBGVZKNNZ-VXNXHJTFSA-N 1 1 403.526 3.576 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000470553745 988567891 /nfs/dbraw/zinc/56/78/91/988567891.db2.gz QEVLRUBGVZKNNZ-VXNXHJTFSA-N 1 1 403.526 3.576 20 30 HHEDMO Cc1cc(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc(N2CCCC2)[nH+]1 ZINC000464699889 988909920 /nfs/dbraw/zinc/90/99/20/988909920.db2.gz OTFJCKJAYZHTPD-UHFFFAOYSA-N 1 1 409.559 3.591 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470967324 989031575 /nfs/dbraw/zinc/03/15/75/989031575.db2.gz KHPHTGPIRHIZQC-RPWUZVMVSA-N 1 1 400.526 3.611 20 30 HHEDMO CC[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1nc(C)cs1 ZINC000464805512 989035807 /nfs/dbraw/zinc/03/58/07/989035807.db2.gz MNPVWJFWFWNZIN-NRFANRHFSA-N 1 1 417.579 3.632 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C#N ZINC000470974681 989038696 /nfs/dbraw/zinc/03/86/96/989038696.db2.gz KLCSAEODILFYMN-NRFANRHFSA-N 1 1 419.573 3.568 20 30 HHEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000470993553 989058741 /nfs/dbraw/zinc/05/87/41/989058741.db2.gz OADVQBSAHCFGKO-AOYPEHQESA-N 1 1 412.537 3.755 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000464825034 989063810 /nfs/dbraw/zinc/06/38/10/989063810.db2.gz WJJNVSBKAFDTBX-MOPGFXCFSA-N 1 1 406.442 3.665 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000464825034 989063815 /nfs/dbraw/zinc/06/38/15/989063815.db2.gz WJJNVSBKAFDTBX-MOPGFXCFSA-N 1 1 406.442 3.665 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464834716 989077330 /nfs/dbraw/zinc/07/73/30/989077330.db2.gz SYKNHULZOPXERQ-HKUYNNGSSA-N 1 1 410.949 3.993 20 30 HHEDMO Cc1ccc([C@H]2CC[N@@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)c(C)c1 ZINC000471012622 989082024 /nfs/dbraw/zinc/08/20/24/989082024.db2.gz RJEISHRDROYLMO-UNMCSNQZSA-N 1 1 422.598 3.563 20 30 HHEDMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)CC2)cs1 ZINC000464939121 989226712 /nfs/dbraw/zinc/22/67/12/989226712.db2.gz NKMSMBXFFUKUIS-YADHBBJMSA-N 1 1 408.571 3.962 20 30 HHEDMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)CC2)cs1 ZINC000464939119 989226746 /nfs/dbraw/zinc/22/67/46/989226746.db2.gz NKMSMBXFFUKUIS-FGZHOGPDSA-N 1 1 408.571 3.962 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000465416671 989763118 /nfs/dbraw/zinc/76/31/18/989763118.db2.gz ZIMDFQWXJOMIAD-VXKWHMMOSA-N 1 1 410.562 3.503 20 30 HHEDMO Cn1cc(C#N)cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000471573056 989774999 /nfs/dbraw/zinc/77/49/99/989774999.db2.gz JDGLDIUQAFTFLQ-VQIMIIECSA-N 1 1 404.436 3.728 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3ccccc3C[N@H+](C)C(C)C)C2)n1 ZINC000471822280 990002158 /nfs/dbraw/zinc/00/21/58/990002158.db2.gz MUCDPHMZMAEKEK-QHCPKHFHSA-N 1 1 419.573 3.635 20 30 HHEDMO C[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000465683176 990067557 /nfs/dbraw/zinc/06/75/57/990067557.db2.gz DQHADJBEOAVKBJ-YGOYIFOWSA-N 1 1 402.542 3.915 20 30 HHEDMO N#Cc1ccc(F)c(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000465940318 991078827 /nfs/dbraw/zinc/07/88/27/991078827.db2.gz YOWLMCIIHSZOFM-SFHVURJKSA-N 1 1 420.410 3.790 20 30 HHEDMO Cc1ccc(N2CCC(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)CC2)[nH+]c1 ZINC000465954294 991094995 /nfs/dbraw/zinc/09/49/95/991094995.db2.gz KVPFNRCYNLIFQQ-VXKWHMMOSA-N 1 1 403.530 3.840 20 30 HHEDMO CCO[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C12CCCC2 ZINC000466435280 991723442 /nfs/dbraw/zinc/72/34/42/991723442.db2.gz XHQDNPGILWMOHD-YADHBBJMSA-N 1 1 410.562 3.513 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ncccc2OCCCC#N)cc1F ZINC000466624725 991941034 /nfs/dbraw/zinc/94/10/34/991941034.db2.gz BFVPNAUGEZVLOA-UHFFFAOYSA-N 1 1 408.437 3.719 20 30 HHEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000467135854 992452615 /nfs/dbraw/zinc/45/26/15/992452615.db2.gz KWEKVSOPPAPTCJ-YJBOKZPZSA-N 1 1 419.497 3.510 20 30 HHEDMO CC(C)C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000467165531 992483737 /nfs/dbraw/zinc/48/37/37/992483737.db2.gz MTYAXHKHRMMHPS-RBUKOAKNSA-N 1 1 412.578 3.724 20 30 HHEDMO C=CCC[N@@H+](C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000467296115 992622236 /nfs/dbraw/zinc/62/22/36/992622236.db2.gz YWPWJXZRGSFFDG-UHFFFAOYSA-N 1 1 401.102 3.868 20 30 HHEDMO C=CCC[N@H+](C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000467296115 992622242 /nfs/dbraw/zinc/62/22/42/992622242.db2.gz YWPWJXZRGSFFDG-UHFFFAOYSA-N 1 1 401.102 3.868 20 30 HHEDMO C[C@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC000467486175 992775343 /nfs/dbraw/zinc/77/53/43/992775343.db2.gz NMQDUGYIGNFULR-YOEHRIQHSA-N 1 1 400.429 3.944 20 30 HHEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O ZINC000467521212 992798088 /nfs/dbraw/zinc/79/80/88/992798088.db2.gz XYNRILCYBGOPCV-QFIPXVFZSA-N 1 1 404.489 3.897 20 30 HHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1=O ZINC000467521212 992798097 /nfs/dbraw/zinc/79/80/97/992798097.db2.gz XYNRILCYBGOPCV-QFIPXVFZSA-N 1 1 404.489 3.897 20 30 HHEDMO CN1CCN(CCC(C)(C)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000472143158 993198352 /nfs/dbraw/zinc/19/83/52/993198352.db2.gz YAGICVLPAGZOEA-UHFFFAOYSA-N 1 1 406.574 3.643 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1Cl ZINC000472272956 993294160 /nfs/dbraw/zinc/29/41/60/993294160.db2.gz FMIDSWVJPZZMLN-HXUWFJFHSA-N 1 1 424.932 3.825 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472300421 993314013 /nfs/dbraw/zinc/31/40/13/993314013.db2.gz PZTUHAKBBHFLCH-QTJGBDASSA-N 1 1 402.542 3.990 20 30 HHEDMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(C#N)ccc3OC)CC[N@H+]2C2CC2)c1 ZINC000472310597 993322178 /nfs/dbraw/zinc/32/21/78/993322178.db2.gz GQJTZQREUHCFSH-SIKLNZKXSA-N 1 1 406.486 3.675 20 30 HHEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000472440168 993443225 /nfs/dbraw/zinc/44/32/25/993443225.db2.gz WNBGAOAHAVPQPP-RBUKOAKNSA-N 1 1 408.546 3.754 20 30 HHEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccnc1 ZINC000472555970 993532233 /nfs/dbraw/zinc/53/22/33/993532233.db2.gz WQHVMLRAXQZSDW-UHFFFAOYSA-N 1 1 412.559 3.761 20 30 HHEDMO CCN1CCN([C@H]2CC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC000472594263 993553077 /nfs/dbraw/zinc/55/30/77/993553077.db2.gz BYXRXKQBTDBXPR-VWLOTQADSA-N 1 1 402.586 3.598 20 30 HHEDMO CCN1CCN([C@H]2CC[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC000472594263 993553084 /nfs/dbraw/zinc/55/30/84/993553084.db2.gz BYXRXKQBTDBXPR-VWLOTQADSA-N 1 1 402.586 3.598 20 30 HHEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000472940300 993869647 /nfs/dbraw/zinc/86/96/47/993869647.db2.gz BUNGADKTKYEORM-HXUWFJFHSA-N 1 1 410.345 3.783 20 30 HHEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000481107170 993944417 /nfs/dbraw/zinc/94/44/17/993944417.db2.gz ABOYNYDJCCUNGS-KRWDZBQOSA-N 1 1 413.319 3.875 20 30 HHEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000481107170 993944427 /nfs/dbraw/zinc/94/44/27/993944427.db2.gz ABOYNYDJCCUNGS-KRWDZBQOSA-N 1 1 413.319 3.875 20 30 HHEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184759 994016410 /nfs/dbraw/zinc/01/64/10/994016410.db2.gz FLNKXXVDEOVSJW-ZFGGDYGUSA-N 1 1 404.558 3.822 20 30 HHEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184759 994016416 /nfs/dbraw/zinc/01/64/16/994016416.db2.gz FLNKXXVDEOVSJW-ZFGGDYGUSA-N 1 1 404.558 3.822 20 30 HHEDMO C=CCC[C@@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1 ZINC000481205615 994038666 /nfs/dbraw/zinc/03/86/66/994038666.db2.gz WKCRAXIIKGQNQB-OAQYLSRUSA-N 1 1 420.488 3.760 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000473194514 994057974 /nfs/dbraw/zinc/05/79/74/994057974.db2.gz QFUYWYDBPCFYOL-LJQANCHMSA-N 1 1 401.576 3.537 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCSC3(CCOCC3)C2)c1C#N ZINC000473207879 994068399 /nfs/dbraw/zinc/06/83/99/994068399.db2.gz MJUBJCGZBLTBJJ-UHFFFAOYSA-N 1 1 416.591 3.628 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCSC3(CCOCC3)C2)c1C#N ZINC000473207879 994068408 /nfs/dbraw/zinc/06/84/08/994068408.db2.gz MJUBJCGZBLTBJJ-UHFFFAOYSA-N 1 1 416.591 3.628 20 30 HHEDMO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)cc1 ZINC000481566764 994401341 /nfs/dbraw/zinc/40/13/41/994401341.db2.gz IECRVJWWCGPCTI-FQEVSTJZSA-N 1 1 417.431 3.894 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NCc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481571914 994408488 /nfs/dbraw/zinc/40/84/88/994408488.db2.gz OVVXPBYDWNHBTF-SPLOXXLWSA-N 1 1 404.457 3.894 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000481579792 994419522 /nfs/dbraw/zinc/41/95/22/994419522.db2.gz IPUZCMIWRNKFFS-OAQYLSRUSA-N 1 1 405.514 3.578 20 30 HHEDMO C=C(C)[C@H](N[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000481617675 994476737 /nfs/dbraw/zinc/47/67/37/994476737.db2.gz WFMQIUDVTHNFMG-LLBVYWAGSA-N 1 1 413.512 3.951 20 30 HHEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000481834860 994686585 /nfs/dbraw/zinc/68/65/85/994686585.db2.gz CAQDAOOPHORUMS-IBGZPJMESA-N 1 1 414.347 3.890 20 30 HHEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481848637 994704286 /nfs/dbraw/zinc/70/42/86/994704286.db2.gz OZEOJTVCEIVDDB-NGYIFUPDSA-N 1 1 403.526 3.839 20 30 HHEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000481872404 994735711 /nfs/dbraw/zinc/73/57/11/994735711.db2.gz WFUGYHNMWKXQNZ-VQIMIIECSA-N 1 1 401.919 3.517 20 30 HHEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000473986340 994973628 /nfs/dbraw/zinc/97/36/28/994973628.db2.gz JLADEGWFUOTEQU-VXKWHMMOSA-N 1 1 417.513 3.901 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000473988207 994975866 /nfs/dbraw/zinc/97/58/66/994975866.db2.gz SFQNLMNGZDKXOF-REWPJTCUSA-N 1 1 409.530 3.646 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474215770 995210255 /nfs/dbraw/zinc/21/02/55/995210255.db2.gz MUUJONOSNKYENQ-GOSISDBHSA-N 1 1 408.571 3.643 20 30 HHEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474215770 995210259 /nfs/dbraw/zinc/21/02/59/995210259.db2.gz MUUJONOSNKYENQ-GOSISDBHSA-N 1 1 408.571 3.643 20 30 HHEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474215770 995210266 /nfs/dbraw/zinc/21/02/66/995210266.db2.gz MUUJONOSNKYENQ-GOSISDBHSA-N 1 1 408.571 3.643 20 30 HHEDMO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474236159 995233382 /nfs/dbraw/zinc/23/33/82/995233382.db2.gz 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CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(N3CCOCC3)c2)no1 ZINC001211975884 1071829932 /nfs/dbraw/zinc/82/99/32/1071829932.db2.gz SANONSYQPBMOAV-RTWAWAEBSA-N 1 1 414.550 3.651 20 30 HHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(C3OCCO3)cc2)no1 ZINC001211975701 1071829948 /nfs/dbraw/zinc/82/99/48/1071829948.db2.gz NTNVKNXNYYJGLC-MOPGFXCFSA-N 1 1 401.507 3.860 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)ccc1OCc1cccc(C#N)c1 ZINC000533309886 1071847735 /nfs/dbraw/zinc/84/77/35/1071847735.db2.gz XASKIJZNOXRZNE-NRFANRHFSA-N 1 1 416.525 3.944 20 30 HHEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000729812196 1072127179 /nfs/dbraw/zinc/12/71/79/1072127179.db2.gz OLWKSBUTVRHBFS-LBPRGKRZSA-N 1 1 411.346 3.889 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000729812196 1072127182 /nfs/dbraw/zinc/12/71/82/1072127182.db2.gz OLWKSBUTVRHBFS-LBPRGKRZSA-N 1 1 411.346 3.889 20 30 HHEDMO Cc1ccc(CNC(=O)c2occc2COc2cccc(C#N)c2)c(N2CCCC2)[nH+]1 ZINC000611582775 1072139570 /nfs/dbraw/zinc/13/95/70/1072139570.db2.gz HFTNXICSRYYAEX-UHFFFAOYSA-N 1 1 416.481 3.964 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCSC[C@H](C)C2)cc1 ZINC000488231547 1072140826 /nfs/dbraw/zinc/14/08/26/1072140826.db2.gz MFMXNJYIWXRBRK-OAHLLOKOSA-N 1 1 412.559 3.598 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCSC[C@H](C)C2)cc1 ZINC000488231547 1072140831 /nfs/dbraw/zinc/14/08/31/1072140831.db2.gz MFMXNJYIWXRBRK-OAHLLOKOSA-N 1 1 412.559 3.598 20 30 HHEDMO COc1ccc2c(c1)[C@H]([N@@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1)CCO2 ZINC000536740638 1072195237 /nfs/dbraw/zinc/19/52/37/1072195237.db2.gz FJJDWJPPEIRISI-JOCHJYFZSA-N 1 1 407.514 3.783 20 30 HHEDMO COc1ccc(-c2n[nH]c(CNC(NCCc3ccccc3)=[NH+]C(C)(C)C)n2)cc1 ZINC000912506658 1072243904 /nfs/dbraw/zinc/24/39/04/1072243904.db2.gz SHWRWHKFYBNXCR-UHFFFAOYSA-N 1 1 406.534 3.557 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@H](C)c2c(C)noc2C)cc1 ZINC000612461641 1072497848 /nfs/dbraw/zinc/49/78/48/1072497848.db2.gz LVWAKCMPFRRKSW-CQSZACIVSA-N 1 1 421.501 3.869 20 30 HHEDMO CC(C)(C)c1ccc(C#N)c(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000588070504 1072776945 /nfs/dbraw/zinc/77/69/45/1072776945.db2.gz HHOJMXMGGCORGS-JOCHJYFZSA-N 1 1 403.574 3.647 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c(OC)c1 ZINC000571962955 1072957097 /nfs/dbraw/zinc/95/70/97/1072957097.db2.gz JUDURSZVFIXTLN-FQEVSTJZSA-N 1 1 409.526 3.719 20 30 HHEDMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)NCC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000588670345 1073085094 /nfs/dbraw/zinc/08/50/94/1073085094.db2.gz XAVICVIKMJQFRO-OAHLLOKOSA-N 1 1 402.848 3.868 20 30 HHEDMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)NCC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000588670345 1073085113 /nfs/dbraw/zinc/08/51/13/1073085113.db2.gz XAVICVIKMJQFRO-OAHLLOKOSA-N 1 1 402.848 3.868 20 30 HHEDMO N#CCCn1cc(C(=O)C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c2ccccc21 ZINC000555066302 1073117042 /nfs/dbraw/zinc/11/70/42/1073117042.db2.gz ULBFKKRDEVDROB-UHFFFAOYSA-N 1 1 424.508 3.983 20 30 HHEDMO N#CCCn1cc(C(=O)C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c2ccccc21 ZINC000555066302 1073117045 /nfs/dbraw/zinc/11/70/45/1073117045.db2.gz ULBFKKRDEVDROB-UHFFFAOYSA-N 1 1 424.508 3.983 20 30 HHEDMO N#Cc1ccc([C@H]([NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C(N)=O)cc1 ZINC000572042135 1073118557 /nfs/dbraw/zinc/11/85/57/1073118557.db2.gz YLZQQIMVCLSJTD-OALUTQOASA-N 1 1 423.314 3.996 20 30 HHEDMO N#Cc1ccc([C@H]([NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C(N)=O)cc1 ZINC000572042127 1073118709 /nfs/dbraw/zinc/11/87/09/1073118709.db2.gz YLZQQIMVCLSJTD-MOPGFXCFSA-N 1 1 423.314 3.996 20 30 HHEDMO C[C@H]1[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000572196098 1073225183 /nfs/dbraw/zinc/22/51/83/1073225183.db2.gz JQPNKAOWOMSLLH-CYFREDJKSA-N 1 1 418.541 3.774 20 30 HHEDMO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000555255319 1073303965 /nfs/dbraw/zinc/30/39/65/1073303965.db2.gz CYTHVRKJFBXJOO-PKOBYXMFSA-N 1 1 401.530 3.910 20 30 HHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000588980838 1073369531 /nfs/dbraw/zinc/36/95/31/1073369531.db2.gz VAUCLESPUXOZPV-QGZVFWFLSA-N 1 1 409.313 3.753 20 30 HHEDMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573193927 1074250971 /nfs/dbraw/zinc/25/09/71/1074250971.db2.gz BGYWKMQMIOURGY-INIZCTEOSA-N 1 1 401.457 3.504 20 30 HHEDMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573193927 1074250978 /nfs/dbraw/zinc/25/09/78/1074250978.db2.gz BGYWKMQMIOURGY-INIZCTEOSA-N 1 1 401.457 3.504 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3csc(Nc4ccccc4)n3)CC2)cc1 ZINC000591415689 1074280721 /nfs/dbraw/zinc/28/07/21/1074280721.db2.gz MWHHRQDSBJXAJA-UHFFFAOYSA-N 1 1 403.555 4.466 20 30 HHEDMO N#Cc1ccc(CN2CCC[N@H+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000591415673 1074280754 /nfs/dbraw/zinc/28/07/54/1074280754.db2.gz FKNCKWBNHQFQKV-RSXGOPAZSA-N 1 1 419.569 3.521 20 30 HHEDMO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000760831147 1074317080 /nfs/dbraw/zinc/31/70/80/1074317080.db2.gz RFZPQZSMWMSXRU-LBPRGKRZSA-N 1 1 407.301 3.566 20 30 HHEDMO CC1(C)CN(C(=O)C2C[NH+](Cc3cccc(C#N)c3)C2)c2ccc(N3CCCC3)cc21 ZINC000595280600 1075424461 /nfs/dbraw/zinc/42/44/61/1075424461.db2.gz XRMPLYAIJMPIDI-UHFFFAOYSA-N 1 1 414.553 3.915 20 30 HHEDMO CCOC(=O)c1cc(C)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C#N ZINC001164629896 719067762 /nfs/dbraw/zinc/06/77/62/719067762.db2.gz ZVMSCCTXRZIVID-KNQAVFIVSA-N 1 1 404.514 3.539 20 30 HHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1C#N)CC2 ZINC001164710355 720097564 /nfs/dbraw/zinc/09/75/64/720097564.db2.gz JFZMVPVBBQYSMH-IBGZPJMESA-N 1 1 411.937 3.509 20 30 HHEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)cc1 ZINC001164721678 720338791 /nfs/dbraw/zinc/33/87/91/720338791.db2.gz CZHJSFWMTTWPSX-QTJGBDASSA-N 1 1 410.525 3.689 20 30 HHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)c(Cl)cc3C#N)CC[C@@H]21 ZINC001164836670 720545025 /nfs/dbraw/zinc/54/50/25/720545025.db2.gz KSMDHTNWJXSPEQ-BQFCYCMXSA-N 1 1 419.360 3.834 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccncc3)ccc1C#N)[C@@H]2C ZINC001164858985 721000407 /nfs/dbraw/zinc/00/04/07/721000407.db2.gz JSFQEOPJUGBYSC-QGZVFWFLSA-N 1 1 401.518 3.633 20 30 HHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164759428 721250769 /nfs/dbraw/zinc/25/07/69/721250769.db2.gz AEDHSTPTBNUPLZ-ZWKOTPCHSA-N 1 1 420.948 3.760 20 30 HHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C(C)C)ccc3C#N)C2)C1 ZINC001164777351 721336773 /nfs/dbraw/zinc/33/67/73/721336773.db2.gz MFPLRGBBFVJNEZ-DEOSSOPVSA-N 1 1 423.561 3.801 20 30 HHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C(C)C)ccc3C#N)C2)C1 ZINC001164777351 721336778 /nfs/dbraw/zinc/33/67/78/721336778.db2.gz MFPLRGBBFVJNEZ-DEOSSOPVSA-N 1 1 423.561 3.801 20 30 HHEDMO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908753 721564802 /nfs/dbraw/zinc/56/48/02/721564802.db2.gz RXYXJBBSPQJLBL-UKRRQHHQSA-N 1 1 407.276 3.741 20 30 HHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2C#N)[C@H]2CCCO[C@@H]12 ZINC001164806272 721588678 /nfs/dbraw/zinc/58/86/78/721588678.db2.gz MRUDUKWAEARECI-YQVWRLOYSA-N 1 1 418.328 3.523 20 30 HHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2C#N)[C@H]2CCCO[C@@H]12 ZINC001164806272 721588679 /nfs/dbraw/zinc/58/86/79/721588679.db2.gz MRUDUKWAEARECI-YQVWRLOYSA-N 1 1 418.328 3.523 20 30 HHEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(cc3C#N)CCCC4)C[C@H]21 ZINC001165027384 721823521 /nfs/dbraw/zinc/82/35/21/721823521.db2.gz SAFFLIJWYAJKCG-BPUDTRNYSA-N 1 1 401.558 3.964 20 30 HHEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH]ccc5ncc(C#N)c4-5)CC3)C2)cc1 ZINC001164938599 721929817 /nfs/dbraw/zinc/92/98/17/721929817.db2.gz AFHGBHSKCKHNIJ-UHFFFAOYSA-N 1 1 401.514 3.614 20 30 HHEDMO N#Cc1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301330640 970870399 /nfs/dbraw/zinc/87/03/99/970870399.db2.gz DOTUHUOKBBUXCE-UHFFFAOYSA-N 1 1 405.433 3.866 20 30 HHEDMO CC1=CC[N@@H+](CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000553123681 1013085084 /nfs/dbraw/zinc/08/50/84/1013085084.db2.gz NRQQWFIQQWVBST-UHFFFAOYSA-N 1 1 400.954 3.586 20 30 HHEDMO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(Br)cc1 ZINC000303031934 971468199 /nfs/dbraw/zinc/46/81/99/971468199.db2.gz XNIKBFBBIQHTCB-UHFFFAOYSA-N 1 1 424.302 3.577 20 30 HHEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(Br)cc1 ZINC000303031934 971468205 /nfs/dbraw/zinc/46/82/05/971468205.db2.gz XNIKBFBBIQHTCB-UHFFFAOYSA-N 1 1 424.302 3.577 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+](CCCO)[C@@H]2CCc3ccccc32)sc2c1CCC2 ZINC000303566420 971860185 /nfs/dbraw/zinc/86/01/85/971860185.db2.gz OFELJPFPDOOXEG-HXUWFJFHSA-N 1 1 409.555 3.809 20 30 HHEDMO CCC[N@@H+](CCc1cccc(F)c1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000303607722 971896276 /nfs/dbraw/zinc/89/62/76/971896276.db2.gz OFUAUMVBHUSBRY-UHFFFAOYSA-N 1 1 405.477 3.776 20 30 HHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000303792651 972031233 /nfs/dbraw/zinc/03/12/33/972031233.db2.gz QOUWZPVOPJYBQZ-LJQANCHMSA-N 1 1 403.526 3.886 20 30 HHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000303792651 972031236 /nfs/dbraw/zinc/03/12/36/972031236.db2.gz QOUWZPVOPJYBQZ-LJQANCHMSA-N 1 1 403.526 3.886 20 30 HHEDMO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000553196090 1013153304 /nfs/dbraw/zinc/15/33/04/1013153304.db2.gz CIMURVLWNOLWNV-HSZRJFAPSA-N 1 1 411.509 3.655 20 30 HHEDMO CNC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000007995600 961392268 /nfs/dbraw/zinc/39/22/68/961392268.db2.gz UOUBDXSDSUPZOT-UHFFFAOYSA-N 1 1 424.570 3.709 20 30 HHEDMO C[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008065566 961417574 /nfs/dbraw/zinc/41/75/74/961417574.db2.gz QHKBIGIKIVWMBX-UHFFFAOYSA-N 1 1 411.314 3.826 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008065566 961417582 /nfs/dbraw/zinc/41/75/82/961417582.db2.gz QHKBIGIKIVWMBX-UHFFFAOYSA-N 1 1 411.314 3.826 20 30 HHEDMO N#Cc1ccncc1C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000553308031 1013262278 /nfs/dbraw/zinc/26/22/78/1013262278.db2.gz AFXILCPPHHZGGN-UHFFFAOYSA-N 1 1 411.509 3.523 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000537706757 1013272106 /nfs/dbraw/zinc/27/21/06/1013272106.db2.gz XWMMNBWGCVFINE-SFHVURJKSA-N 1 1 417.488 3.777 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000537706757 1013272116 /nfs/dbraw/zinc/27/21/16/1013272116.db2.gz XWMMNBWGCVFINE-SFHVURJKSA-N 1 1 417.488 3.777 20 30 HHEDMO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000542418364 1013370142 /nfs/dbraw/zinc/37/01/42/1013370142.db2.gz NUQSQFFGIHNPLG-CYFREDJKSA-N 1 1 418.541 3.522 20 30 HHEDMO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000542418364 1013370160 /nfs/dbraw/zinc/37/01/60/1013370160.db2.gz NUQSQFFGIHNPLG-CYFREDJKSA-N 1 1 418.541 3.522 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000542428606 1013381199 /nfs/dbraw/zinc/38/11/99/1013381199.db2.gz QZEHFIDDCIGULK-INIZCTEOSA-N 1 1 419.485 3.960 20 30 HHEDMO N#Cc1ccc(CN2CCC[N@H+](CCOc3ccc(Br)cc3)CC2)cc1 ZINC000022850367 963728235 /nfs/dbraw/zinc/72/82/35/963728235.db2.gz BKHLPLHQGMPDQH-UHFFFAOYSA-N 1 1 414.347 3.907 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(CCOc3ccc(Br)cc3)CC2)cc1 ZINC000022850367 963728239 /nfs/dbraw/zinc/72/82/39/963728239.db2.gz BKHLPLHQGMPDQH-UHFFFAOYSA-N 1 1 414.347 3.907 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCOc3ccc(Br)cc3)CC2)cc1 ZINC000022850367 963728245 /nfs/dbraw/zinc/72/82/45/963728245.db2.gz BKHLPLHQGMPDQH-UHFFFAOYSA-N 1 1 414.347 3.907 20 30 HHEDMO N#Cc1c(NC(=O)CC[NH+]2CCN(Cc3ccsc3)CC2)sc2c1CCCC2 ZINC000023376091 963811894 /nfs/dbraw/zinc/81/18/94/963811894.db2.gz PCHDPEHVBQGIGA-UHFFFAOYSA-N 1 1 414.600 3.706 20 30 HHEDMO N#Cc1c(NC(=O)CCN2CC[NH+](Cc3ccsc3)CC2)sc2c1CCCC2 ZINC000023376091 963811898 /nfs/dbraw/zinc/81/18/98/963811898.db2.gz PCHDPEHVBQGIGA-UHFFFAOYSA-N 1 1 414.600 3.706 20 30 HHEDMO CCOc1ccc(SCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023753168 963884525 /nfs/dbraw/zinc/88/45/25/963884525.db2.gz NSMCQQUEJCBGFG-UHFFFAOYSA-N 1 1 409.555 3.784 20 30 HHEDMO CCOc1ccc(SCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023753168 963884530 /nfs/dbraw/zinc/88/45/30/963884530.db2.gz NSMCQQUEJCBGFG-UHFFFAOYSA-N 1 1 409.555 3.784 20 30 HHEDMO COc1ccc(-c2nc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000024825355 964085472 /nfs/dbraw/zinc/08/54/72/964085472.db2.gz FQBBSALIVDNVQE-UHFFFAOYSA-N 1 1 402.498 3.930 20 30 HHEDMO CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000542533870 1013478162 /nfs/dbraw/zinc/47/81/62/1013478162.db2.gz PWFPOFQRPHYGMG-RTWAWAEBSA-N 1 1 402.970 3.621 20 30 HHEDMO CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000025303736 964235855 /nfs/dbraw/zinc/23/58/55/964235855.db2.gz MNNIZRKPMJEPGM-XMMPIXPASA-N 1 1 421.585 3.803 20 30 HHEDMO CC(C)(C)c1ccc(OC[C@H](O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000025303736 964235868 /nfs/dbraw/zinc/23/58/68/964235868.db2.gz MNNIZRKPMJEPGM-XMMPIXPASA-N 1 1 421.585 3.803 20 30 HHEDMO CC(C)(C)c1ccc(OC[C@H](O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000025303736 964235877 /nfs/dbraw/zinc/23/58/77/964235877.db2.gz MNNIZRKPMJEPGM-XMMPIXPASA-N 1 1 421.585 3.803 20 30 HHEDMO Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C3)cs1 ZINC000537895679 1013478991 /nfs/dbraw/zinc/47/89/91/1013478991.db2.gz AIVWAUQMXSWKBK-QGZVFWFLSA-N 1 1 411.552 3.850 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000026479430 964579171 /nfs/dbraw/zinc/57/91/71/964579171.db2.gz FAXLNIXZRFZJKR-UHFFFAOYSA-N 1 1 402.926 3.737 20 30 HHEDMO 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COc1ccc(CNC(=[NH2+])NCC2(N[C@H](C)c3ccccc3)CCCC2)cc1OC ZINC000304758635 972605666 /nfs/dbraw/zinc/60/56/66/972605666.db2.gz QFHYLJJIBXMZMZ-GOSISDBHSA-N 1 1 410.562 3.772 20 30 HHEDMO CC[C@H](C)c1ccc(NC(=[NH2+])NCC2CCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000304782932 972606851 /nfs/dbraw/zinc/60/68/51/972606851.db2.gz MOYVWZCTFNEUPM-KRWDZBQOSA-N 1 1 401.599 3.553 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1F ZINC000409455880 972901267 /nfs/dbraw/zinc/90/12/67/972901267.db2.gz HQGSDALZSHXBOU-UHFFFAOYSA-N 1 1 423.517 3.920 20 30 HHEDMO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(c1ccc(C(F)(F)F)c(C#N)n1)CC2 ZINC000409642904 973092555 /nfs/dbraw/zinc/09/25/55/973092555.db2.gz BMRIZOKBLXMNLL-HNNXBMFYSA-N 1 1 407.465 3.919 20 30 HHEDMO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(c1ccc(C(F)(F)F)c(C#N)n1)CC2 ZINC000409642904 973092562 /nfs/dbraw/zinc/09/25/62/973092562.db2.gz BMRIZOKBLXMNLL-HNNXBMFYSA-N 1 1 407.465 3.919 20 30 HHEDMO N#CC1(CCC[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCOCC1 ZINC000410333351 973909246 /nfs/dbraw/zinc/90/92/46/973909246.db2.gz QYLDZJRZCVGXAC-UHFFFAOYSA-N 1 1 410.345 3.852 20 30 HHEDMO C=CCN1CC[C@@H]([N@@H+](CCc2ccc(OC)c(OC)c2)Cc2ccsc2)C1=O ZINC000410400078 973999743 /nfs/dbraw/zinc/99/97/43/973999743.db2.gz GWPAUXZOAZVRKW-LJQANCHMSA-N 1 1 400.544 3.597 20 30 HHEDMO CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425968679 974072293 /nfs/dbraw/zinc/07/22/93/974072293.db2.gz VBPISBWKRXGYNL-JOCHJYFZSA-N 1 1 402.460 3.626 20 30 HHEDMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(C#N)cc3Cl)CC2)oc1C ZINC000426127680 974249852 /nfs/dbraw/zinc/24/98/52/974249852.db2.gz LADIFNOINPAIIK-UHFFFAOYSA-N 1 1 401.898 3.850 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000426176453 974287119 /nfs/dbraw/zinc/28/71/19/974287119.db2.gz MWHLXKCODAOJNV-LSDHHAIUSA-N 1 1 417.575 3.737 20 30 HHEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000426512770 974498303 /nfs/dbraw/zinc/49/83/03/974498303.db2.gz DAVKNSPZYODCCB-SFHVURJKSA-N 1 1 420.513 3.526 20 30 HHEDMO CC(C)(C)[N@H+]1C[C@@H](c2nc(COCC(F)(F)C(F)F)no2)[C@H](C(F)(F)F)C1 ZINC000426571888 974536799 /nfs/dbraw/zinc/53/67/99/974536799.db2.gz WTZODBGZITXOLU-RKDXNWHRSA-N 1 1 407.330 3.863 20 30 HHEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000426776744 974652676 /nfs/dbraw/zinc/65/26/76/974652676.db2.gz HJLFQSJRMCRSPS-KRWDZBQOSA-N 1 1 424.570 3.748 20 30 HHEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000426812797 974679200 /nfs/dbraw/zinc/67/92/00/974679200.db2.gz ZZPQHAGNNPLTQY-SFHVURJKSA-N 1 1 413.543 3.560 20 30 HHEDMO N#Cc1cccc(NC(=O)C2CC[NH+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)c1 ZINC000427013863 974825333 /nfs/dbraw/zinc/82/53/33/974825333.db2.gz XORKTESUHAVNHM-NRFANRHFSA-N 1 1 422.916 3.668 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)sc2C1 ZINC000427014762 974826831 /nfs/dbraw/zinc/82/68/31/974826831.db2.gz IIXYWXXPBJJSMW-ACJLOTCBSA-N 1 1 418.607 3.589 20 30 HHEDMO C=CCn1c(SCC(=O)N[C@H](C)C[N@@H+](C)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000427496282 975147627 /nfs/dbraw/zinc/14/76/27/975147627.db2.gz VRFMJQVEKAMSEQ-OAHLLOKOSA-N 1 1 421.998 3.722 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C2)nc1 ZINC000428801423 976079742 /nfs/dbraw/zinc/07/97/42/976079742.db2.gz FIEWIDFNQSNJRH-MRXNPFEDSA-N 1 1 409.287 3.917 20 30 HHEDMO CCN(C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccc2ccccc21 ZINC000428811430 976091085 /nfs/dbraw/zinc/09/10/85/976091085.db2.gz ZQRCSVLSBUHLLI-HXUWFJFHSA-N 1 1 400.482 3.613 20 30 HHEDMO CCN(C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cccc2ccccc21 ZINC000428811430 976091099 /nfs/dbraw/zinc/09/10/99/976091099.db2.gz ZQRCSVLSBUHLLI-HXUWFJFHSA-N 1 1 400.482 3.613 20 30 HHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H](C)C1 ZINC000428988720 976270431 /nfs/dbraw/zinc/27/04/31/976270431.db2.gz CBMHHZOCSBJDHG-NHAYFPRASA-N 1 1 414.619 3.735 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1C#N ZINC000429016182 976297479 /nfs/dbraw/zinc/29/74/79/976297479.db2.gz AVTKXKMGXKGETM-YZZKKUAISA-N 1 1 419.573 3.566 20 30 HHEDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000429107532 976390144 /nfs/dbraw/zinc/39/01/44/976390144.db2.gz BRRFNVFWDMMVAK-MRXNPFEDSA-N 1 1 407.396 3.701 20 30 HHEDMO C[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[N@@H+]1CCO ZINC000429174583 976463993 /nfs/dbraw/zinc/46/39/93/976463993.db2.gz QRVKJKXKYXDPGF-JXFKEZNVSA-N 1 1 412.921 3.526 20 30 HHEDMO C[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[N@H+]1CCO ZINC000429174583 976463999 /nfs/dbraw/zinc/46/39/99/976463999.db2.gz QRVKJKXKYXDPGF-JXFKEZNVSA-N 1 1 412.921 3.526 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[N@@H+]1CCO ZINC000429174585 976464193 /nfs/dbraw/zinc/46/41/93/976464193.db2.gz QRVKJKXKYXDPGF-OXQOHEQNSA-N 1 1 412.921 3.526 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[N@H+]1CCO ZINC000429174585 976464204 /nfs/dbraw/zinc/46/42/04/976464204.db2.gz QRVKJKXKYXDPGF-OXQOHEQNSA-N 1 1 412.921 3.526 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOC[C@@H](C4CCC4)C3)sc2C1 ZINC000429228038 976520930 /nfs/dbraw/zinc/52/09/30/976520930.db2.gz QFXXLTITLPTIFV-WBVHZDCISA-N 1 1 401.576 3.822 20 30 HHEDMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000429385684 976659333 /nfs/dbraw/zinc/65/93/33/976659333.db2.gz IEVQPQFQNLYBMG-DEOSSOPVSA-N 1 1 424.633 3.994 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000429560748 976828767 /nfs/dbraw/zinc/82/87/67/976828767.db2.gz KAFUUIURDWRQTA-XMMPIXPASA-N 1 1 422.529 3.760 20 30 HHEDMO N#Cc1ccc(NC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c(Cl)c1 ZINC000429624742 976912128 /nfs/dbraw/zinc/91/21/28/976912128.db2.gz UXKSFNOUPYVWRE-QGZVFWFLSA-N 1 1 400.935 3.951 20 30 HHEDMO N#Cc1ccc(NC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c(Cl)c1 ZINC000429624742 976912137 /nfs/dbraw/zinc/91/21/37/976912137.db2.gz UXKSFNOUPYVWRE-QGZVFWFLSA-N 1 1 400.935 3.951 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CC3=Cc4cc(Br)ccc4OC3)C2)nc1 ZINC000430165941 977361342 /nfs/dbraw/zinc/36/13/42/977361342.db2.gz DDJSKCMWGRMEMD-SFHVURJKSA-N 1 1 412.287 3.645 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+](CCc3ccccn3)Cc3cccnc3)C2=O)cc1 ZINC000430336599 977484930 /nfs/dbraw/zinc/48/49/30/977484930.db2.gz KBCVCKYXXURHQJ-XMMPIXPASA-N 1 1 411.509 3.589 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+](CCc3ccccn3)Cc3cccnc3)C2=O)cc1 ZINC000430336599 977484932 /nfs/dbraw/zinc/48/49/32/977484932.db2.gz KBCVCKYXXURHQJ-XMMPIXPASA-N 1 1 411.509 3.589 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430647224 977666736 /nfs/dbraw/zinc/66/67/36/977666736.db2.gz FFCQCLXUKZIXNI-AVRDEDQJSA-N 1 1 407.562 3.516 20 30 HHEDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cccc(SCC#N)c3)CC2)cs1 ZINC000430701861 977703055 /nfs/dbraw/zinc/70/30/55/977703055.db2.gz PMUXHGRKXDAVER-UHFFFAOYSA-N 1 1 414.600 3.963 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000430861990 977820786 /nfs/dbraw/zinc/82/07/86/977820786.db2.gz CKLKPLWNKKGICC-IRLDBZIGSA-N 1 1 405.546 3.637 20 30 HHEDMO COc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1OCCCC#N ZINC000430875977 977841543 /nfs/dbraw/zinc/84/15/43/977841543.db2.gz PLYRSTRPMZJQPT-HXUWFJFHSA-N 1 1 407.514 3.863 20 30 HHEDMO C=CCN1C(=O)N([C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431036257 977969544 /nfs/dbraw/zinc/96/95/44/977969544.db2.gz VXBPBTGOANSWCM-PTUXOGIPSA-N 1 1 403.526 3.883 20 30 HHEDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)CC2 ZINC000431155317 978056155 /nfs/dbraw/zinc/05/61/55/978056155.db2.gz DVAHBKPNNQPEOE-UHFFFAOYSA-N 1 1 418.440 3.786 20 30 HHEDMO CC(C)(CNC(=O)CCCC(=O)Nc1ccccc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000432532589 978868734 /nfs/dbraw/zinc/86/87/34/978868734.db2.gz XCOUNFCDSZPSFD-UHFFFAOYSA-N 1 1 418.541 3.620 20 30 HHEDMO N#CCCN(C(=O)C[NH+]1CCC(CO)(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000433064511 979056323 /nfs/dbraw/zinc/05/63/23/979056323.db2.gz BHTUBEYFXRZYND-UHFFFAOYSA-N 1 1 411.933 3.613 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@H](O)Cc3ccccc3)sc2C1 ZINC000433065378 979056514 /nfs/dbraw/zinc/05/65/14/979056514.db2.gz CGAHMXWUEKCSIX-SJLPKXTDSA-N 1 1 411.571 3.609 20 30 HHEDMO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CCCO1 ZINC000433110268 979077341 /nfs/dbraw/zinc/07/73/41/979077341.db2.gz OMWZIUVNCWSKBN-SFHVURJKSA-N 1 1 408.502 3.973 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCCSC1 ZINC000433178844 979121913 /nfs/dbraw/zinc/12/19/13/979121913.db2.gz GWTQPGLZDJOUSZ-DLBZAZTESA-N 1 1 407.605 3.721 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCCSC1 ZINC000433178844 979121921 /nfs/dbraw/zinc/12/19/21/979121921.db2.gz GWTQPGLZDJOUSZ-DLBZAZTESA-N 1 1 407.605 3.721 20 30 HHEDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000433234115 979166582 /nfs/dbraw/zinc/16/65/82/979166582.db2.gz QORLFABDUHOXFZ-HDICACEKSA-N 1 1 408.502 3.923 20 30 HHEDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000433234115 979166587 /nfs/dbraw/zinc/16/65/87/979166587.db2.gz QORLFABDUHOXFZ-HDICACEKSA-N 1 1 408.502 3.923 20 30 HHEDMO COc1ccc([C@@H]([NH2+]CC#Cc2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000433486006 979331327 /nfs/dbraw/zinc/33/13/27/979331327.db2.gz JRSNVJFUCKZFAK-XMMPIXPASA-N 1 1 423.509 3.969 20 30 HHEDMO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCO1 ZINC000433487834 979332545 /nfs/dbraw/zinc/33/25/45/979332545.db2.gz LGUFNVZIAZUIMA-GOSISDBHSA-N 1 1 408.502 3.973 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCSC(C)(C)CC2)c1C#N ZINC000434665144 980328570 /nfs/dbraw/zinc/32/85/70/980328570.db2.gz MWISQOTVTCELLS-UHFFFAOYSA-N 1 1 400.548 3.774 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCSC(C)(C)CC2)c1C#N ZINC000434665144 980328574 /nfs/dbraw/zinc/32/85/74/980328574.db2.gz MWISQOTVTCELLS-UHFFFAOYSA-N 1 1 400.548 3.774 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000434685382 980337797 /nfs/dbraw/zinc/33/77/97/980337797.db2.gz PPPWYEXIJCOFPG-JOCHJYFZSA-N 1 1 405.473 3.788 20 30 HHEDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000434778520 980394337 /nfs/dbraw/zinc/39/43/37/980394337.db2.gz VEYSYALYBRQVJO-BGYRXZFFSA-N 1 1 421.541 3.756 20 30 HHEDMO COc1cc2c(cc1OC)CC[NH+]([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000434810003 980413910 /nfs/dbraw/zinc/41/39/10/980413910.db2.gz QZSQNBZWZOZHJV-AWEZNQCLSA-N 1 1 413.905 3.657 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434851238 980444973 /nfs/dbraw/zinc/44/49/73/980444973.db2.gz AOUCJSACCYJOKG-FQEVSTJZSA-N 1 1 406.511 3.945 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3(Cc4ccccc4)CC3)CC2)cc1 ZINC000435113662 980647843 /nfs/dbraw/zinc/64/78/43/980647843.db2.gz MMVPREJMFMIFHN-UHFFFAOYSA-N 1 1 402.542 3.798 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000435132925 980663913 /nfs/dbraw/zinc/66/39/13/980663913.db2.gz NAMCYQFYEWMZMU-OAHLLOKOSA-N 1 1 400.429 3.898 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000435132925 980663914 /nfs/dbraw/zinc/66/39/14/980663914.db2.gz NAMCYQFYEWMZMU-OAHLLOKOSA-N 1 1 400.429 3.898 20 30 HHEDMO Cc1cc(NC(=O)NCc2cccc(C#N)c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435516470 980913677 /nfs/dbraw/zinc/91/36/77/980913677.db2.gz LQIXXMABPDKBJC-QFIPXVFZSA-N 1 1 414.513 3.832 20 30 HHEDMO C=C(C)[C@H]1OCC[C@H]1CNc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000435598272 980955304 /nfs/dbraw/zinc/95/53/04/980955304.db2.gz QEXBRBCAGXARLP-WMLDXEAASA-N 1 1 418.563 3.631 20 30 HHEDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436344053 981313135 /nfs/dbraw/zinc/31/31/35/981313135.db2.gz KIPQUHWUPLNAEQ-OALUTQOASA-N 1 1 420.557 3.773 20 30 HHEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000436387357 981341970 /nfs/dbraw/zinc/34/19/70/981341970.db2.gz KMJPGWNCEFAQQS-KRWDZBQOSA-N 1 1 408.481 3.688 20 30 HHEDMO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000448199528 981611806 /nfs/dbraw/zinc/61/18/06/981611806.db2.gz VPVLMFLOALHUPI-GHTZIAJQSA-N 1 1 405.498 3.819 20 30 HHEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000448325718 981701169 /nfs/dbraw/zinc/70/11/69/981701169.db2.gz RVHRAICCVUBHQS-OAQYLSRUSA-N 1 1 420.513 3.526 20 30 HHEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000448327167 981701704 /nfs/dbraw/zinc/70/17/04/981701704.db2.gz HJEUWFOHIZCMNU-NRFANRHFSA-N 1 1 420.513 3.526 20 30 HHEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000448328165 981702134 /nfs/dbraw/zinc/70/21/34/981702134.db2.gz PEDSNUMVRKIMJT-NRFANRHFSA-N 1 1 420.513 3.526 20 30 HHEDMO 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CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000460293014 982070012 /nfs/dbraw/zinc/07/00/12/982070012.db2.gz IPNRAIDBFPAYRG-UHFFFAOYSA-N 1 1 404.493 3.688 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000460358233 982132538 /nfs/dbraw/zinc/13/25/38/982132538.db2.gz LHCCTEWZWCNKDH-DTVZVWBHSA-N 1 1 410.949 3.896 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1C#N ZINC000437538944 982167603 /nfs/dbraw/zinc/16/76/03/982167603.db2.gz QFJWCPGLFXUSMP-VQTJNVASSA-N 1 1 412.559 3.916 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1C#N ZINC000437538944 982167607 /nfs/dbraw/zinc/16/76/07/982167607.db2.gz QFJWCPGLFXUSMP-VQTJNVASSA-N 1 1 412.559 3.916 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c(OC)c1 ZINC000437602002 982223667 /nfs/dbraw/zinc/22/36/67/982223667.db2.gz KIZRWNHDFZWMHG-SIKLNZKXSA-N 1 1 421.541 3.887 20 30 HHEDMO 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C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460790457 982543278 /nfs/dbraw/zinc/54/32/78/982543278.db2.gz CSDYVTVWDBSNNZ-IBGZPJMESA-N 1 1 413.566 3.925 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4cc(F)cc(F)c4)C3)CC2)cc1 ZINC000438074992 982572839 /nfs/dbraw/zinc/57/28/39/982572839.db2.gz NXDNTCTUPYMYOU-JKIUYZKVSA-N 1 1 424.495 4.000 20 30 HHEDMO CC(C)Cn1c(-c2ccoc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460862348 982606686 /nfs/dbraw/zinc/60/66/86/982606686.db2.gz UYSOXGBZCQRIPH-UHFFFAOYSA-N 1 1 404.518 3.778 20 30 HHEDMO CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460918152 982654201 /nfs/dbraw/zinc/65/42/01/982654201.db2.gz QMSJNXYEEHYGDU-UHFFFAOYSA-N 1 1 422.577 3.839 20 30 HHEDMO COc1cc(OC)cc(OCCC[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000438545343 982883566 /nfs/dbraw/zinc/88/35/66/982883566.db2.gz LUWUTZDHJUDEED-UHFFFAOYSA-N 1 1 417.531 3.593 20 30 HHEDMO COc1cc(OC)cc(OCCC[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000438545343 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416.591 3.742 20 30 HHEDMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000440040904 983622246 /nfs/dbraw/zinc/62/22/46/983622246.db2.gz XVJVWQBFLCMFHA-JXFKEZNVSA-N 1 1 424.932 3.662 20 30 HHEDMO C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCCc1cccc(C#N)c1)C1CCCCC1 ZINC000440149339 983660702 /nfs/dbraw/zinc/66/07/02/983660702.db2.gz VCGBNIIHNWZFDN-UHFFFAOYSA-N 1 1 418.541 3.620 20 30 HHEDMO N#Cc1cnc2c(Br)cccc2c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000440639385 983833490 /nfs/dbraw/zinc/83/34/90/983833490.db2.gz PQSPZLZEGKSSJD-UHFFFAOYSA-N 1 1 423.314 3.897 20 30 HHEDMO Fc1ccc(C#CCN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000440921385 983976587 /nfs/dbraw/zinc/97/65/87/983976587.db2.gz LAYSJKFPEVSUPE-UHFFFAOYSA-N 1 1 410.518 3.539 20 30 HHEDMO CCc1nc(C[NH+]2CCC(CNC(=O)NCC3CCC(C#N)CC3)CC2)cs1 ZINC000441006062 984019703 /nfs/dbraw/zinc/01/97/03/984019703.db2.gz BJYNPSKNRAGTMG-UHFFFAOYSA-N 1 1 403.596 3.547 20 30 HHEDMO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CC(=O)N(CCC#N)CCC#N 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MJEFEHDHVRQDIQ-PXNSSMCTSA-N 1 1 420.513 3.620 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2C#N)cc1 ZINC000443372000 985532323 /nfs/dbraw/zinc/53/23/23/985532323.db2.gz LFNSPDUWRDKUOH-ZDUSSCGKSA-N 1 1 400.891 3.745 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443491138 985666191 /nfs/dbraw/zinc/66/61/91/985666191.db2.gz POBCSRSGXOROOP-MRXNPFEDSA-N 1 1 409.983 3.877 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443494077 985668478 /nfs/dbraw/zinc/66/84/78/985668478.db2.gz YOVDDZIWLIEEPG-MRXNPFEDSA-N 1 1 409.983 3.877 20 30 HHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCCN(c4nc(C)ccc4C#N)C3)cc2)c1C ZINC000462781324 985716560 /nfs/dbraw/zinc/71/65/60/985716560.db2.gz RLFHUGAJZZBHEU-HXUWFJFHSA-N 1 1 414.513 3.919 20 30 HHEDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000443675215 985884342 /nfs/dbraw/zinc/88/43/42/985884342.db2.gz QXRKDYWVSYFODA-KDURUIRLSA-N 1 1 406.530 3.921 20 30 HHEDMO N#Cc1cc(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)ccc1F ZINC000468292350 985990958 /nfs/dbraw/zinc/99/09/58/985990958.db2.gz SSCKOQDDUJFZFE-UHFFFAOYSA-N 1 1 411.506 3.559 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)CC[C@H]3CCCC[N@@H+]3C)sc2C1 ZINC000444172399 986350215 /nfs/dbraw/zinc/35/02/15/986350215.db2.gz REQTVGGFQGLPRV-IAGOWNOFSA-N 1 1 402.608 3.879 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)CC[C@H]3CCCC[N@H+]3C)sc2C1 ZINC000444172399 986350224 /nfs/dbraw/zinc/35/02/24/986350224.db2.gz REQTVGGFQGLPRV-IAGOWNOFSA-N 1 1 402.608 3.879 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1Cl ZINC000463439081 986415425 /nfs/dbraw/zinc/41/54/25/986415425.db2.gz YUWBFMBXRQSERD-QHCPKHFHSA-N 1 1 411.933 3.857 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000463440866 986418655 /nfs/dbraw/zinc/41/86/55/986418655.db2.gz GOHKYIVDFUWUMW-AREMUKBSSA-N 1 1 419.569 3.867 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1C ZINC000463443887 986423405 /nfs/dbraw/zinc/42/34/05/986423405.db2.gz YJFKZTJVYZWVRE-SANMLTNESA-N 1 1 419.569 3.867 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@](CO)(Cc3ccccc3)C1)CCC2 ZINC000463457385 986437789 /nfs/dbraw/zinc/43/77/89/986437789.db2.gz VJHQBSKNPRSMPB-XMMPIXPASA-N 1 1 423.582 3.754 20 30 HHEDMO CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000468825787 986535124 /nfs/dbraw/zinc/53/51/24/986535124.db2.gz DZCLGAYJEDCWLV-FQEVSTJZSA-N 1 1 417.340 3.735 20 30 HHEDMO C[N@@H+](CCOc1cccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)c1)C1CCOCC1 ZINC000463649054 986627182 /nfs/dbraw/zinc/62/71/82/986627182.db2.gz YLFSEQQGIYWWQH-UHFFFAOYSA-N 1 1 410.474 3.568 20 30 HHEDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000444774038 986932376 /nfs/dbraw/zinc/93/23/76/986932376.db2.gz HGASRTIWLREEGI-OAQYLSRUSA-N 1 1 403.548 3.635 20 30 HHEDMO CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000469231100 986952165 /nfs/dbraw/zinc/95/21/65/986952165.db2.gz SIVYBQFGXFCOEG-OAQYLSRUSA-N 1 1 400.482 3.950 20 30 HHEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000444815827 986969945 /nfs/dbraw/zinc/96/99/45/986969945.db2.gz HIODCTDBACKMAL-QGZVFWFLSA-N 1 1 408.502 3.659 20 30 HHEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000444823627 986979016 /nfs/dbraw/zinc/97/90/16/986979016.db2.gz QSXHIMHLFQFHLX-QGZVFWFLSA-N 1 1 408.502 3.659 20 30 HHEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000444824690 986980165 /nfs/dbraw/zinc/98/01/65/986980165.db2.gz AEFISURPXZLDEE-QGZVFWFLSA-N 1 1 408.502 3.659 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000469472749 987157204 /nfs/dbraw/zinc/15/72/04/987157204.db2.gz PSVFAVXRTHOPPO-QFIPXVFZSA-N 1 1 408.546 3.881 20 30 HHEDMO N#CCCN(C(=O)CCC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21)c1ccccc1 ZINC000445808522 987868589 /nfs/dbraw/zinc/86/85/89/987868589.db2.gz BBSGGKBBXTWIBW-QFIPXVFZSA-N 1 1 416.525 3.725 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1 ZINC000464491842 988663288 /nfs/dbraw/zinc/66/32/88/988663288.db2.gz FZPLDLGMCQRATO-SFTDATJTSA-N 1 1 413.562 3.992 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1 ZINC000464491842 988663292 /nfs/dbraw/zinc/66/32/92/988663292.db2.gz FZPLDLGMCQRATO-SFTDATJTSA-N 1 1 413.562 3.992 20 30 HHEDMO N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)ccc21 ZINC000470779075 988830669 /nfs/dbraw/zinc/83/06/69/988830669.db2.gz KUSONZXEGCMDQL-QHCPKHFHSA-N 1 1 416.525 3.873 20 30 HHEDMO CC[N@H+](C)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000470849353 988928313 /nfs/dbraw/zinc/92/83/13/988928313.db2.gz YSVWPZLXUQRDHZ-QHCPKHFHSA-N 1 1 404.514 3.901 20 30 HHEDMO CC[N@@H+](C)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000470849353 988928319 /nfs/dbraw/zinc/92/83/19/988928319.db2.gz YSVWPZLXUQRDHZ-QHCPKHFHSA-N 1 1 404.514 3.901 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000464825035 989063524 /nfs/dbraw/zinc/06/35/24/989063524.db2.gz WJJNVSBKAFDTBX-OALUTQOASA-N 1 1 406.442 3.665 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000464825035 989063534 /nfs/dbraw/zinc/06/35/34/989063534.db2.gz WJJNVSBKAFDTBX-OALUTQOASA-N 1 1 406.442 3.665 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000464826885 989064975 /nfs/dbraw/zinc/06/49/75/989064975.db2.gz GDWPIMGQASKVEN-BJKOFHAPSA-N 1 1 420.532 3.636 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464834720 989077368 /nfs/dbraw/zinc/07/73/68/989077368.db2.gz SYKNHULZOPXERQ-PKOBYXMFSA-N 1 1 410.949 3.993 20 30 HHEDMO COc1cccc(NC(=O)CC[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000471008670 989078022 /nfs/dbraw/zinc/07/80/22/989078022.db2.gz QOOQUQMBGXNKKF-NRFANRHFSA-N 1 1 412.921 3.560 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000464853936 989106623 /nfs/dbraw/zinc/10/66/23/989106623.db2.gz FYVYFQRIAQDJRA-MRXNPFEDSA-N 1 1 419.451 3.737 20 30 HHEDMO CCC[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000471095542 989192362 /nfs/dbraw/zinc/19/23/62/989192362.db2.gz NKVGTSVKGGVSJG-ZEQRLZLVSA-N 1 1 400.526 3.754 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000471173646 989300783 /nfs/dbraw/zinc/30/07/83/989300783.db2.gz SQAKAOFTKGTAKF-SFHVURJKSA-N 1 1 402.502 3.507 20 30 HHEDMO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H](C)c1cccc(O)c1 ZINC000471182259 989313641 /nfs/dbraw/zinc/31/36/41/989313641.db2.gz KYFKOGKDRUWPMP-MRXNPFEDSA-N 1 1 404.432 3.962 20 30 HHEDMO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H](C)c1cccc(O)c1 ZINC000471182259 989313650 /nfs/dbraw/zinc/31/36/50/989313650.db2.gz KYFKOGKDRUWPMP-MRXNPFEDSA-N 1 1 404.432 3.962 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000471185242 989318284 /nfs/dbraw/zinc/31/82/84/989318284.db2.gz IHTOUZVXXNDULZ-KRWDZBQOSA-N 1 1 420.492 3.646 20 30 HHEDMO Cc1nc(SCC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000471289396 989447297 /nfs/dbraw/zinc/44/72/97/989447297.db2.gz WIIBCPAVLORGMN-HXUWFJFHSA-N 1 1 408.571 3.609 20 30 HHEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000465158933 989489168 /nfs/dbraw/zinc/48/91/68/989489168.db2.gz YGOAUFQNNHWWIA-LJQANCHMSA-N 1 1 419.529 3.910 20 30 HHEDMO Cc1nn(C)c(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)c1C#N ZINC000471804183 989987412 /nfs/dbraw/zinc/98/74/12/989987412.db2.gz LESLRKGTNGQASP-UHFFFAOYSA-N 1 1 401.514 3.501 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000465630067 990016196 /nfs/dbraw/zinc/01/61/96/990016196.db2.gz BTZDHTMSLQEWNU-DNQXCXABSA-N 1 1 418.541 3.500 20 30 HHEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471965601 990131244 /nfs/dbraw/zinc/13/12/44/990131244.db2.gz FCLJWZUBKSUDEP-FQEVSTJZSA-N 1 1 415.459 3.878 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)C2)n1 ZINC000471971878 990136885 /nfs/dbraw/zinc/13/68/85/990136885.db2.gz XIIUTLAITNNQQV-HSZRJFAPSA-N 1 1 419.573 3.635 20 30 HHEDMO COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466155431 991341722 /nfs/dbraw/zinc/34/17/22/991341722.db2.gz WEQLMCHGUFLTAF-QGZVFWFLSA-N 1 1 410.493 3.684 20 30 HHEDMO C[C@H](NC(=O)Nc1ncccc1OCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466620215 991936038 /nfs/dbraw/zinc/93/60/38/991936038.db2.gz SYXZBIIBTRKYPW-ICSRJNTNSA-N 1 1 407.518 3.796 20 30 HHEDMO C[C@H](c1ccccc1)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O ZINC000466679500 991994039 /nfs/dbraw/zinc/99/40/39/991994039.db2.gz KAFYHMCXZRJCCM-MRXNPFEDSA-N 1 1 424.570 3.766 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466932806 992244659 /nfs/dbraw/zinc/24/46/59/992244659.db2.gz CXORULRFKSOXKC-ACJLOTCBSA-N 1 1 410.331 3.769 20 30 HHEDMO COC[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000467296245 992622162 /nfs/dbraw/zinc/62/21/62/992622162.db2.gz AUIPDKAPMPPTRL-GOSISDBHSA-N 1 1 412.509 3.792 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)C2)n1 ZINC000472158236 993208843 /nfs/dbraw/zinc/20/88/43/993208843.db2.gz QJCWUYQJBBHLTJ-GIWBLDEGSA-N 1 1 423.605 3.591 20 30 HHEDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCS1 ZINC000472249223 993276098 /nfs/dbraw/zinc/27/60/98/993276098.db2.gz HTYNLKPAQQYVDL-SFHVURJKSA-N 1 1 400.548 3.774 20 30 HHEDMO CC[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000472433880 993435229 /nfs/dbraw/zinc/43/52/29/993435229.db2.gz BDXHZSOJWBMCCZ-PKTZIBPZSA-N 1 1 423.582 3.587 20 30 HHEDMO CC[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000472433880 993435233 /nfs/dbraw/zinc/43/52/33/993435233.db2.gz BDXHZSOJWBMCCZ-PKTZIBPZSA-N 1 1 423.582 3.587 20 30 HHEDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000472440166 993443398 /nfs/dbraw/zinc/44/33/98/993443398.db2.gz WNBGAOAHAVPQPP-MOPGFXCFSA-N 1 1 408.546 3.754 20 30 HHEDMO N#CC(CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000472579664 993545131 /nfs/dbraw/zinc/54/51/31/993545131.db2.gz JQPDNRSYSRFPHF-XMMPIXPASA-N 1 1 417.553 3.600 20 30 HHEDMO Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000480745732 993612635 /nfs/dbraw/zinc/61/26/35/993612635.db2.gz WXKMNNNABJVLIV-JOCHJYFZSA-N 1 1 404.514 3.526 20 30 HHEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480839375 993713888 /nfs/dbraw/zinc/71/38/88/993713888.db2.gz DVUPEJXHYAEYMD-VXKWHMMOSA-N 1 1 409.555 3.542 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cc2)C1 ZINC000481013424 993855759 /nfs/dbraw/zinc/85/57/59/993855759.db2.gz LRDZOQQFQVURLR-QGZVFWFLSA-N 1 1 415.534 3.549 20 30 HHEDMO C=C(C)C[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000481214105 994046970 /nfs/dbraw/zinc/04/69/70/994046970.db2.gz UECUIHOQXMMISA-SFHVURJKSA-N 1 1 413.543 3.951 20 30 HHEDMO C=C(C)C[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000481214105 994046982 /nfs/dbraw/zinc/04/69/82/994046982.db2.gz UECUIHOQXMMISA-SFHVURJKSA-N 1 1 413.543 3.951 20 30 HHEDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481225253 994056793 /nfs/dbraw/zinc/05/67/93/994056793.db2.gz LMGYFTSZDUJZGW-UHFFFAOYSA-N 1 1 424.526 3.927 20 30 HHEDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481225253 994056800 /nfs/dbraw/zinc/05/68/00/994056800.db2.gz LMGYFTSZDUJZGW-UHFFFAOYSA-N 1 1 424.526 3.927 20 30 HHEDMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481425612 994261236 /nfs/dbraw/zinc/26/12/36/994261236.db2.gz PNWKMGCSSWIRIL-KSFYIVLOSA-N 1 1 423.467 3.713 20 30 HHEDMO 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/nfs/dbraw/zinc/74/32/29/995743229.db2.gz VJWOQEWTKDHHPE-GOTSBHOMSA-N 1 1 419.525 3.818 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1Cl ZINC000482892387 995822725 /nfs/dbraw/zinc/82/27/25/995822725.db2.gz GBTSTOJNLPDCBX-KRWDZBQOSA-N 1 1 424.932 3.682 20 30 HHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)N(CCC#N)c1ccccc1 ZINC000482961894 995883571 /nfs/dbraw/zinc/88/35/71/995883571.db2.gz PDBCUWGCAIIBNS-GJZGRUSLSA-N 1 1 401.308 3.830 20 30 HHEDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(Br)cn1 ZINC000482962033 995884081 /nfs/dbraw/zinc/88/40/81/995884081.db2.gz OAIFLVLWEZMUNG-KGLIPLIRSA-N 1 1 419.298 3.969 20 30 HHEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC[C@H]21 ZINC000482974578 995893484 /nfs/dbraw/zinc/89/34/84/995893484.db2.gz BFYNBOGDRSJGTE-SIKLNZKXSA-N 1 1 417.513 3.759 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1ccc(C#N)cc1 ZINC000475058002 995895901 /nfs/dbraw/zinc/89/59/01/995895901.db2.gz 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HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000475573400 996226175 /nfs/dbraw/zinc/22/61/75/996226175.db2.gz SHCXKIHUGQOASS-IBGZPJMESA-N 1 1 403.592 3.954 20 30 HHEDMO Cc1ccnc(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c1 ZINC000483523864 996231837 /nfs/dbraw/zinc/23/18/37/996231837.db2.gz LIVCAWBHNQAWEP-UHFFFAOYSA-N 1 1 423.586 3.743 20 30 HHEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000476048948 996566669 /nfs/dbraw/zinc/56/66/69/996566669.db2.gz IFJXPJPJKYJNIH-APWZRJJASA-N 1 1 402.420 3.785 20 30 HHEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc2)C[C@@H](C)O1 ZINC000484159414 996607156 /nfs/dbraw/zinc/60/71/56/996607156.db2.gz KKDAKCQFSBQQCG-IAGOWNOFSA-N 1 1 404.514 3.694 20 30 HHEDMO CC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000476330932 996761293 /nfs/dbraw/zinc/76/12/93/996761293.db2.gz LXIYEAHJGXGHGL-SGNDLWITSA-N 1 1 405.542 3.870 20 30 HHEDMO CC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000476330932 996761301 /nfs/dbraw/zinc/76/13/01/996761301.db2.gz LXIYEAHJGXGHGL-SGNDLWITSA-N 1 1 405.542 3.870 20 30 HHEDMO N#CCc1ccc(Oc2ccc(C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2)cc1 ZINC000476390879 996839955 /nfs/dbraw/zinc/83/99/55/996839955.db2.gz JEOJBEFDYHFQHV-NRFANRHFSA-N 1 1 407.514 3.512 20 30 HHEDMO C=CC[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)CC1CCCCC1 ZINC000484542772 996875669 /nfs/dbraw/zinc/87/56/69/996875669.db2.gz LVLMPRLQFYPHOT-UHFFFAOYSA-N 1 1 403.611 3.742 20 30 HHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476713165 997256243 /nfs/dbraw/zinc/25/62/43/997256243.db2.gz PBJSSDOOQHBIGP-DHIRWMJTSA-N 1 1 412.578 3.914 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CC[C@H](C)C1 ZINC000484895947 997264347 /nfs/dbraw/zinc/26/43/47/997264347.db2.gz RDXVIKTWWCZYJG-LPHOPBHVSA-N 1 1 412.534 3.693 20 30 HHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000485034823 997398693 /nfs/dbraw/zinc/39/86/93/997398693.db2.gz NVHGIWFAWJEIMP-UHFFFAOYSA-N 1 1 416.407 3.602 20 30 HHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000485034823 997398709 /nfs/dbraw/zinc/39/87/09/997398709.db2.gz NVHGIWFAWJEIMP-UHFFFAOYSA-N 1 1 416.407 3.602 20 30 HHEDMO N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000477036231 997669249 /nfs/dbraw/zinc/66/92/49/997669249.db2.gz TXJQFMJMIDGIDZ-IBGZPJMESA-N 1 1 416.506 3.679 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC000477043953 997679211 /nfs/dbraw/zinc/67/92/11/997679211.db2.gz ODJVVKBQMPUFMD-VWLOTQADSA-N 1 1 402.542 3.875 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC000477043953 997679223 /nfs/dbraw/zinc/67/92/23/997679223.db2.gz ODJVVKBQMPUFMD-VWLOTQADSA-N 1 1 402.542 3.875 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1C#N ZINC000477065073 997711448 /nfs/dbraw/zinc/71/14/48/997711448.db2.gz KXYBEWZLPKXSHX-VWLOTQADSA-N 1 1 420.557 3.856 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@]3(CCCOC3)C2)c1C#N ZINC000477065073 997711460 /nfs/dbraw/zinc/71/14/60/997711460.db2.gz KXYBEWZLPKXSHX-VWLOTQADSA-N 1 1 420.557 3.856 20 30 HHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477076876 997728970 /nfs/dbraw/zinc/72/89/70/997728970.db2.gz POYMVKJXRIYFRM-LOKFHWFJSA-N 1 1 403.935 3.971 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485336861 997753845 /nfs/dbraw/zinc/75/38/45/997753845.db2.gz LREKFVGXYNXMDC-VWNXMTODSA-N 1 1 402.542 3.873 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485336861 997753857 /nfs/dbraw/zinc/75/38/57/997753857.db2.gz LREKFVGXYNXMDC-VWNXMTODSA-N 1 1 402.542 3.873 20 30 HHEDMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000477151621 997811877 /nfs/dbraw/zinc/81/18/77/997811877.db2.gz NTOXSWVGULPOFA-NRFANRHFSA-N 1 1 424.497 3.507 20 30 HHEDMO C[C@@H]1C[C@@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000485412410 997845252 /nfs/dbraw/zinc/84/52/52/997845252.db2.gz ZLOAUQCODRVWBU-UCFCWBNQSA-N 1 1 402.542 3.696 20 30 HHEDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1Cc1ccccc1 ZINC000485412410 997845258 /nfs/dbraw/zinc/84/52/58/997845258.db2.gz ZLOAUQCODRVWBU-UCFCWBNQSA-N 1 1 402.542 3.696 20 30 HHEDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCCOc3cccc(C#N)c3)CC2)cs1 ZINC000477274304 997952129 /nfs/dbraw/zinc/95/21/29/997952129.db2.gz YBLLRCUHQVNRGQ-SFHVURJKSA-N 1 1 414.575 3.699 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1)CC(F)(F)F ZINC000477723444 998451046 /nfs/dbraw/zinc/45/10/46/998451046.db2.gz IYOAHTKUNHNWOL-CQSZACIVSA-N 1 1 416.875 3.746 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000486263417 998683544 /nfs/dbraw/zinc/68/35/44/998683544.db2.gz 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C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000500968681 1004085056 /nfs/dbraw/zinc/08/50/56/1004085056.db2.gz SHURYJZETZOSQV-LAUBAEHRSA-N 1 1 415.534 3.512 20 30 HHEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000500969105 1004085231 /nfs/dbraw/zinc/08/52/31/1004085231.db2.gz ISTHUTVCUCEOGH-MRXNPFEDSA-N 1 1 416.576 3.506 20 30 HHEDMO CC1CCC(N(C(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)CC1 ZINC000500972331 1004087266 /nfs/dbraw/zinc/08/72/66/1004087266.db2.gz IUXKARSIIJMSNP-UHFFFAOYSA-N 1 1 408.590 3.636 20 30 HHEDMO CC1CCC(N(C(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C2CC2)CC1 ZINC000500972331 1004087273 /nfs/dbraw/zinc/08/72/73/1004087273.db2.gz IUXKARSIIJMSNP-UHFFFAOYSA-N 1 1 408.590 3.636 20 30 HHEDMO CC1CCC(N(C(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C2CC2)CC1 ZINC000500972331 1004087281 /nfs/dbraw/zinc/08/72/81/1004087281.db2.gz IUXKARSIIJMSNP-UHFFFAOYSA-N 1 1 408.590 3.636 20 30 HHEDMO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000512272716 1004174462 /nfs/dbraw/zinc/17/44/62/1004174462.db2.gz UKVFQJXHOVJYAG-INIZCTEOSA-N 1 1 402.608 3.879 20 30 HHEDMO N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)nc1 ZINC000509958735 1004232038 /nfs/dbraw/zinc/23/20/38/1004232038.db2.gz PVMOBUSJAFTQGK-LZBANZJXSA-N 1 1 422.504 3.563 20 30 HHEDMO N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC2)nc1 ZINC000509958735 1004232046 /nfs/dbraw/zinc/23/20/46/1004232046.db2.gz PVMOBUSJAFTQGK-LZBANZJXSA-N 1 1 422.504 3.563 20 30 HHEDMO C=C(C)C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cnn(C(C)C)c1 ZINC000512506872 1004349762 /nfs/dbraw/zinc/34/97/62/1004349762.db2.gz QZUHFWSRHVTWQC-UHFFFAOYSA-N 1 1 423.561 3.998 20 30 HHEDMO N#Cc1ccc(CNC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000510189322 1004385540 /nfs/dbraw/zinc/38/55/40/1004385540.db2.gz AESVMANGILEUPE-UHFFFAOYSA-N 1 1 415.497 3.677 20 30 HHEDMO COc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000510219610 1004403732 /nfs/dbraw/zinc/40/37/32/1004403732.db2.gz GBHBQRJFIVMCKL-HXUWFJFHSA-N 1 1 409.530 3.958 20 30 HHEDMO COc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000510219610 1004403739 /nfs/dbraw/zinc/40/37/39/1004403739.db2.gz GBHBQRJFIVMCKL-HXUWFJFHSA-N 1 1 409.530 3.958 20 30 HHEDMO Cc1nn2c(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(C(C)C)nc2s1 ZINC000512609480 1004423078 /nfs/dbraw/zinc/42/30/78/1004423078.db2.gz LWNGYZIYAWXRSO-UHFFFAOYSA-N 1 1 422.558 3.945 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000501448321 1004428345 /nfs/dbraw/zinc/42/83/45/1004428345.db2.gz WLVXAPQUWFNKFZ-ROUUACIJSA-N 1 1 423.561 3.594 20 30 HHEDMO CCCn1nccc1C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000501499038 1004468285 /nfs/dbraw/zinc/46/82/85/1004468285.db2.gz CLJGUWCCBWDQAH-LJQANCHMSA-N 1 1 423.561 3.816 20 30 HHEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000501535580 1004498653 /nfs/dbraw/zinc/49/86/53/1004498653.db2.gz XCOIOSVIVYVYQK-UHFFFAOYSA-N 1 1 417.340 3.694 20 30 HHEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000501535580 1004498660 /nfs/dbraw/zinc/49/86/60/1004498660.db2.gz XCOIOSVIVYVYQK-UHFFFAOYSA-N 1 1 417.340 3.694 20 30 HHEDMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512803027 1004568755 /nfs/dbraw/zinc/56/87/55/1004568755.db2.gz ZKLPKXXKZZAZEO-MRXNPFEDSA-N 1 1 413.468 3.899 20 30 HHEDMO N#Cc1ccc(OC2CC[NH+](CC(=O)N[C@@H](c3ccccc3)C3CC3)CC2)c(F)c1 ZINC000512838147 1004597216 /nfs/dbraw/zinc/59/72/16/1004597216.db2.gz BQLCFDYKVPKMTQ-DEOSSOPVSA-N 1 1 407.489 3.808 20 30 HHEDMO C[C@H](NC(=O)NCCSCc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510521338 1004647006 /nfs/dbraw/zinc/64/70/06/1004647006.db2.gz FVRMOLZESVBSMS-HKUYNNGSSA-N 1 1 400.592 3.744 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000501812957 1004752699 /nfs/dbraw/zinc/75/26/99/1004752699.db2.gz MOBSLGATCWYDIW-DEOSSOPVSA-N 1 1 419.550 3.790 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000501812958 1004752835 /nfs/dbraw/zinc/75/28/35/1004752835.db2.gz MOBSLGATCWYDIW-XMMPIXPASA-N 1 1 419.550 3.790 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000501829107 1004763214 /nfs/dbraw/zinc/76/32/14/1004763214.db2.gz QZROSKSGGPKNRA-UHFFFAOYSA-N 1 1 404.558 3.676 20 30 HHEDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000510631748 1004765995 /nfs/dbraw/zinc/76/59/95/1004765995.db2.gz WWUGCPAYQYGKEV-YADHBBJMSA-N 1 1 408.546 3.589 20 30 HHEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000510631748 1004765999 /nfs/dbraw/zinc/76/59/99/1004765999.db2.gz WWUGCPAYQYGKEV-YADHBBJMSA-N 1 1 408.546 3.589 20 30 HHEDMO C=CCN1CC[C@H](N(C)c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C1=O ZINC000513046678 1004776317 /nfs/dbraw/zinc/77/63/17/1004776317.db2.gz NABPQFVRAWRLGT-SFHVURJKSA-N 1 1 421.570 3.643 20 30 HHEDMO CC(C)C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC000513114065 1004813848 /nfs/dbraw/zinc/81/38/48/1004813848.db2.gz WLLOREYKBIDJLD-QHCPKHFHSA-N 1 1 421.541 3.614 20 30 HHEDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000513149511 1004832437 /nfs/dbraw/zinc/83/24/37/1004832437.db2.gz LOXYEDWPERXZPF-SJPCQFCGSA-N 1 1 400.592 3.774 20 30 HHEDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000513149511 1004832443 /nfs/dbraw/zinc/83/24/43/1004832443.db2.gz LOXYEDWPERXZPF-SJPCQFCGSA-N 1 1 400.592 3.774 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C#N ZINC000513157427 1004837185 /nfs/dbraw/zinc/83/71/85/1004837185.db2.gz BDYGJVVBSXBBNN-WCRBZPEASA-N 1 1 411.594 3.977 20 30 HHEDMO C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000510872139 1004903277 /nfs/dbraw/zinc/90/32/77/1004903277.db2.gz NLYBLQWKCOKPOH-LJQANCHMSA-N 1 1 418.541 3.558 20 30 HHEDMO COc1ccccc1O[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000513421023 1004957966 /nfs/dbraw/zinc/95/79/66/1004957966.db2.gz SLCIXNVJVCJMEI-LEWJYISDSA-N 1 1 405.498 3.606 20 30 HHEDMO COc1ccccc1O[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000513421023 1004957977 /nfs/dbraw/zinc/95/79/77/1004957977.db2.gz SLCIXNVJVCJMEI-LEWJYISDSA-N 1 1 405.498 3.606 20 30 HHEDMO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000502219019 1004963720 /nfs/dbraw/zinc/96/37/20/1004963720.db2.gz XFJIZEODDMSGHP-UHFFFAOYSA-N 1 1 417.391 3.969 20 30 HHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502347174 1005025958 /nfs/dbraw/zinc/02/59/58/1005025958.db2.gz FQTURVGPZQDWDQ-UYAOXDASSA-N 1 1 423.561 3.655 20 30 HHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502347174 1005025964 /nfs/dbraw/zinc/02/59/64/1005025964.db2.gz FQTURVGPZQDWDQ-UYAOXDASSA-N 1 1 423.561 3.655 20 30 HHEDMO N#C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513666852 1005074028 /nfs/dbraw/zinc/07/40/28/1005074028.db2.gz PKIFUMCEMHUSMC-DFBJGRDBSA-N 1 1 410.477 3.506 20 30 HHEDMO N#C[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513666852 1005074036 /nfs/dbraw/zinc/07/40/36/1005074036.db2.gz PKIFUMCEMHUSMC-DFBJGRDBSA-N 1 1 410.477 3.506 20 30 HHEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000502679919 1005177454 /nfs/dbraw/zinc/17/74/54/1005177454.db2.gz OGKWXOPHASXIJW-XMMPIXPASA-N 1 1 411.546 3.914 20 30 HHEDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3Sc3ccccc3C#N)[C@H]2C1 ZINC000502726662 1005192536 /nfs/dbraw/zinc/19/25/36/1005192536.db2.gz OFTKGRQVJUIQTG-VQTJNVASSA-N 1 1 407.539 3.645 20 30 HHEDMO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)c2)c1 ZINC000511507080 1005204587 /nfs/dbraw/zinc/20/45/87/1005204587.db2.gz QUXFEJKRPITHQF-SFTDATJTSA-N 1 1 403.486 3.559 20 30 HHEDMO CC(C)([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)NCC1CCCC1 ZINC000502763367 1005206428 /nfs/dbraw/zinc/20/64/28/1005206428.db2.gz RYYJUTHGBOTHPZ-UHFFFAOYSA-N 1 1 416.591 3.502 20 30 HHEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000511640531 1005256463 /nfs/dbraw/zinc/25/64/63/1005256463.db2.gz NKEZIRZJQUTPPW-XVWOVUINSA-N 1 1 410.562 3.776 20 30 HHEDMO C[C@@H]1C[C@H](CCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000511717685 1005290687 /nfs/dbraw/zinc/29/06/87/1005290687.db2.gz ZDZCLHHSOYJHJB-APWZRJJASA-N 1 1 424.932 3.567 20 30 HHEDMO Cc1cc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)cn2cc[nH+]c12 ZINC000502965043 1005295007 /nfs/dbraw/zinc/29/50/07/1005295007.db2.gz AAWJSPUEQVBHOL-UHFFFAOYSA-N 1 1 415.413 3.580 20 30 HHEDMO CC[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000514182222 1005301272 /nfs/dbraw/zinc/30/12/72/1005301272.db2.gz GCLUKQJDBPDBDC-XZOQPEGZSA-N 1 1 423.532 3.771 20 30 HHEDMO CC[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000514182222 1005301276 /nfs/dbraw/zinc/30/12/76/1005301276.db2.gz GCLUKQJDBPDBDC-XZOQPEGZSA-N 1 1 423.532 3.771 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000503222488 1005371256 /nfs/dbraw/zinc/37/12/56/1005371256.db2.gz WNHGGTGFOSOBFZ-LJQANCHMSA-N 1 1 419.447 3.529 20 30 HHEDMO Cc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000503396463 1005407580 /nfs/dbraw/zinc/40/75/80/1005407580.db2.gz MAVXHUMGYQSONZ-QHCPKHFHSA-N 1 1 413.525 3.789 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503410386 1005411476 /nfs/dbraw/zinc/41/14/76/1005411476.db2.gz AQUCVBBUFARWNV-HXUWFJFHSA-N 1 1 402.542 3.849 20 30 HHEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000503490253 1005435614 /nfs/dbraw/zinc/43/56/14/1005435614.db2.gz DDNSUCLYIIESSH-NQIIRXRSSA-N 1 1 407.514 3.544 20 30 HHEDMO C[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000503901405 1005507790 /nfs/dbraw/zinc/50/77/90/1005507790.db2.gz NJFLHKVDMCJEMM-LJQANCHMSA-N 1 1 418.516 3.524 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000504234311 1005579310 /nfs/dbraw/zinc/57/93/10/1005579310.db2.gz COWRDEMUSMOWHF-HSZRJFAPSA-N 1 1 402.542 3.896 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000514415169 1005980057 /nfs/dbraw/zinc/98/00/57/1005980057.db2.gz HZCDUPOJNZNDDF-SJLPKXTDSA-N 1 1 403.548 3.547 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000514415169 1005980060 /nfs/dbraw/zinc/98/00/60/1005980060.db2.gz HZCDUPOJNZNDDF-SJLPKXTDSA-N 1 1 403.548 3.547 20 30 HHEDMO N#CCCN(C(=O)CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534227704 1006225869 /nfs/dbraw/zinc/22/58/69/1006225869.db2.gz DEVYNFHLDPGJML-UHFFFAOYSA-N 1 1 416.569 3.921 20 30 HHEDMO N#CCCN(C(=O)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1)c1cccc(Cl)c1 ZINC000534355199 1006315473 /nfs/dbraw/zinc/31/54/73/1006315473.db2.gz OFJHYQHVCQYERJ-JOCHJYFZSA-N 1 1 411.933 3.860 20 30 HHEDMO N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)c2)cc1 ZINC000531666173 1006340835 /nfs/dbraw/zinc/34/08/35/1006340835.db2.gz WHHCUVXLFUDKJH-XZOQPEGZSA-N 1 1 404.514 3.675 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000515406895 1006444892 /nfs/dbraw/zinc/44/48/92/1006444892.db2.gz QUSPNNJTKNXFRA-NRFANRHFSA-N 1 1 407.514 3.507 20 30 HHEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1Br ZINC000534496769 1006494694 /nfs/dbraw/zinc/49/46/94/1006494694.db2.gz WKMSBZNHYSAUTQ-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1Br ZINC000534496769 1006494696 /nfs/dbraw/zinc/49/46/96/1006494696.db2.gz WKMSBZNHYSAUTQ-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO C=C[C@H](CC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)c1ccccc1 ZINC000534694039 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/nfs/dbraw/zinc/81/68/04/1008816804.db2.gz JMEONHDFUQHKNU-QZTJIDSGSA-N 1 1 412.578 3.724 20 30 HHEDMO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000549302652 1008878540 /nfs/dbraw/zinc/87/85/40/1008878540.db2.gz YREURRAARNJCKV-UHFFFAOYSA-N 1 1 420.561 3.616 20 30 HHEDMO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000549302652 1008878557 /nfs/dbraw/zinc/87/85/57/1008878557.db2.gz YREURRAARNJCKV-UHFFFAOYSA-N 1 1 420.561 3.616 20 30 HHEDMO COc1ccc(Oc2ccc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)cc2)cc1 ZINC000543395935 1008988097 /nfs/dbraw/zinc/98/80/97/1008988097.db2.gz GXJODQUFBIKWPY-SFHVURJKSA-N 1 1 415.497 3.860 20 30 HHEDMO COc1ccc(Oc2ccc(C[N@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)cc2)cc1 ZINC000543395935 1008988107 /nfs/dbraw/zinc/98/81/07/1008988107.db2.gz GXJODQUFBIKWPY-SFHVURJKSA-N 1 1 415.497 3.860 20 30 HHEDMO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000519783701 1009004246 /nfs/dbraw/zinc/00/42/46/1009004246.db2.gz AOUHSSFVPODRCG-YJBOKZPZSA-N 1 1 401.942 3.930 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932497 1009005496 /nfs/dbraw/zinc/00/54/96/1009005496.db2.gz RMNAWVRBZJGYDY-KSSFIOAISA-N 1 1 404.498 3.677 20 30 HHEDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000549481237 1009080703 /nfs/dbraw/zinc/08/07/03/1009080703.db2.gz NPXJHIOVDZZFNJ-QFIPXVFZSA-N 1 1 422.577 3.552 20 30 HHEDMO CCCCc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1Cc1ccccc1 ZINC000549509886 1009117805 /nfs/dbraw/zinc/11/78/05/1009117805.db2.gz PKZBAIMXPPIZKR-UHFFFAOYSA-N 1 1 414.557 3.863 20 30 HHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C1 ZINC000549594667 1009222050 /nfs/dbraw/zinc/22/20/50/1009222050.db2.gz IFHARDSXUKRDKN-RBBKRZOGSA-N 1 1 422.577 3.554 20 30 HHEDMO C=C(C)Cn1c(CC(C)C)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549655382 1009283047 /nfs/dbraw/zinc/28/30/47/1009283047.db2.gz ULMLVWKGCIEDJW-BGYRXZFFSA-N 1 1 403.615 3.768 20 30 HHEDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccc(C#N)cc1 ZINC000520173520 1009318486 /nfs/dbraw/zinc/31/84/86/1009318486.db2.gz OBCSCEPICKHHIJ-UHFFFAOYSA-N 1 1 404.514 3.782 20 30 HHEDMO C=CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195011 1009334415 /nfs/dbraw/zinc/33/44/15/1009334415.db2.gz PJOKGJFBQMJQRS-OAHLLOKOSA-N 1 1 411.893 3.836 20 30 HHEDMO N#Cc1ccc(NC(=O)C[NH2+][C@H](CCO)c2ccccc2Br)cc1Cl ZINC000543807717 1009369850 /nfs/dbraw/zinc/36/98/50/1009369850.db2.gz NGDROQZHPXBWPV-QGZVFWFLSA-N 1 1 422.710 3.626 20 30 HHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543884697 1009460704 /nfs/dbraw/zinc/46/07/04/1009460704.db2.gz MENCCBLXVIHXJB-UHFFFAOYSA-N 1 1 420.492 3.915 20 30 HHEDMO C[C@H](CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C[NH+]1CCOCC1 ZINC000543892373 1009472456 /nfs/dbraw/zinc/47/24/56/1009472456.db2.gz PRLKJLQGWBUCLU-RTBURBONSA-N 1 1 406.530 3.554 20 30 HHEDMO CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000546581461 1009604919 /nfs/dbraw/zinc/60/49/19/1009604919.db2.gz XKTBZCFBFTYTCZ-UHFFFAOYSA-N 1 1 424.476 3.618 20 30 HHEDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000546581461 1009604924 /nfs/dbraw/zinc/60/49/24/1009604924.db2.gz XKTBZCFBFTYTCZ-UHFFFAOYSA-N 1 1 424.476 3.618 20 30 HHEDMO CC[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OCCOC)CC[N@H+]1Cc1ccccc1 ZINC000546818886 1009778357 /nfs/dbraw/zinc/77/83/57/1009778357.db2.gz KHXBMVXITAEAKU-OAQYLSRUSA-N 1 1 422.529 3.712 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544309993 1009932723 /nfs/dbraw/zinc/93/27/23/1009932723.db2.gz RIIKKWIYBGQIMX-WIYYLYMNSA-N 1 1 422.529 3.616 20 30 HHEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000520991132 1010030104 /nfs/dbraw/zinc/03/01/04/1010030104.db2.gz JAPAPGPMWZVEGL-UHFFFAOYSA-N 1 1 409.877 3.503 20 30 HHEDMO N#Cc1cc2c(nc1NC[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CCC2 ZINC000520999762 1010037807 /nfs/dbraw/zinc/03/78/07/1010037807.db2.gz XWVDWHXXLAYCRA-JOCHJYFZSA-N 1 1 402.542 3.783 20 30 HHEDMO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cn(-c2ccccc2)nn1 ZINC000544518035 1010144940 /nfs/dbraw/zinc/14/49/40/1010144940.db2.gz UQOHOBADIOOKTL-HNNXBMFYSA-N 1 1 420.542 3.759 20 30 HHEDMO Cc1cc(C#N)cnc1-c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000551383584 1010551473 /nfs/dbraw/zinc/55/14/73/1010551473.db2.gz PGZDPGSKDLZMMN-UHFFFAOYSA-N 1 1 408.893 3.774 20 30 HHEDMO Cn1cc(C#N)cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000551390635 1010556009 /nfs/dbraw/zinc/55/60/09/1010556009.db2.gz DUKXTKTWDSNLLQ-KRWDZBQOSA-N 1 1 412.843 3.905 20 30 HHEDMO Cn1cc(C#N)cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000551390635 1010556017 /nfs/dbraw/zinc/55/60/17/1010556017.db2.gz DUKXTKTWDSNLLQ-KRWDZBQOSA-N 1 1 412.843 3.905 20 30 HHEDMO CC(=O)Nc1cccc([C@H](C)NCC#CC[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000551396561 1010560155 /nfs/dbraw/zinc/56/01/55/1010560155.db2.gz UDWRAKDKUQIPJO-ROUUACIJSA-N 1 1 406.530 3.608 20 30 HHEDMO CCNC(=O)C[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000551420298 1010576153 /nfs/dbraw/zinc/57/61/53/1010576153.db2.gz WMNKJIPIXUYOPX-MRXNPFEDSA-N 1 1 416.591 3.598 20 30 HHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000521740436 1010585490 /nfs/dbraw/zinc/58/54/90/1010585490.db2.gz ZNRMDMFFWMVZFG-IEBWSBKVSA-N 1 1 422.554 3.583 20 30 HHEDMO Cc1c2c(nc(S[C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c1C#N)CCC2 ZINC000521799330 1010627091 /nfs/dbraw/zinc/62/70/91/1010627091.db2.gz WMNOBMLPJJFSQP-HKUYNNGSSA-N 1 1 420.582 3.622 20 30 HHEDMO N#Cc1cnccc1N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000548481832 1010640971 /nfs/dbraw/zinc/64/09/71/1010640971.db2.gz XXCZKUOFNUJSAK-UHFFFAOYSA-N 1 1 405.483 3.912 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CCCCOc3cccc(C#N)c3)c2)CCO1 ZINC000521960381 1010738789 /nfs/dbraw/zinc/73/87/89/1010738789.db2.gz RONBJDRUGOWENS-HXUWFJFHSA-N 1 1 421.541 3.644 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CCCCOc3cccc(C#N)c3)c2)CCO1 ZINC000521960381 1010738796 /nfs/dbraw/zinc/73/87/96/1010738796.db2.gz RONBJDRUGOWENS-HXUWFJFHSA-N 1 1 421.541 3.644 20 30 HHEDMO CC[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000545405729 1010776094 /nfs/dbraw/zinc/77/60/94/1010776094.db2.gz KRHUYGXWYKDDFS-JOCHJYFZSA-N 1 1 413.525 3.789 20 30 HHEDMO CC[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC[N@H+]1Cc1ccccc1 ZINC000545405729 1010776099 /nfs/dbraw/zinc/77/60/99/1010776099.db2.gz KRHUYGXWYKDDFS-JOCHJYFZSA-N 1 1 413.525 3.789 20 30 HHEDMO N#Cc1ccccc1OC1CCC(NC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000522078133 1010795898 /nfs/dbraw/zinc/79/58/98/1010795898.db2.gz NCVRSSFLEPXTMM-UHFFFAOYSA-N 1 1 418.541 3.606 20 30 HHEDMO 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N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536375656 1011584759 /nfs/dbraw/zinc/58/47/59/1011584759.db2.gz YHPLDTGXNXACRO-FCHUYYIVSA-N 1 1 411.505 3.590 20 30 HHEDMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000536417420 1011632912 /nfs/dbraw/zinc/63/29/12/1011632912.db2.gz OZGOFDSVRVUBEX-UHFFFAOYSA-N 1 1 413.905 3.533 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C)C1 ZINC000541105301 1011752603 /nfs/dbraw/zinc/75/26/03/1011752603.db2.gz JLPITFFTQQNHJP-WMLDXEAASA-N 1 1 400.914 3.591 20 30 HHEDMO N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)ccc1OCC(F)(F)F ZINC000523337343 1011812610 /nfs/dbraw/zinc/81/26/10/1011812610.db2.gz VGFDGLSUSQDGPC-INIZCTEOSA-N 1 1 418.419 3.745 20 30 HHEDMO C=CCc1cc(C[N@@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)cc(OC)c1O ZINC000536708837 1011880538 /nfs/dbraw/zinc/88/05/38/1011880538.db2.gz WWNLWKGTYJBSQM-UHFFFAOYSA-N 1 1 412.530 3.859 20 30 HHEDMO 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ZINC000536886793 1012138333 /nfs/dbraw/zinc/13/83/33/1012138333.db2.gz WDQYLFYIXQDKNJ-RUZDIDTESA-N 1 1 411.505 3.742 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000552191690 1012204471 /nfs/dbraw/zinc/20/44/71/1012204471.db2.gz OOPQMTLAOFFYCI-JPYJTQIMSA-N 1 1 402.546 3.642 20 30 HHEDMO C=CC[C@@H]1N(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1(C)C ZINC000552196496 1012208166 /nfs/dbraw/zinc/20/81/66/1012208166.db2.gz HYGJQNFVWPPUEF-ICSRJNTNSA-N 1 1 417.619 3.670 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cc(C#N)ccc3NC3CC3)cc2)C[C@H](C)O1 ZINC000552586122 1012592095 /nfs/dbraw/zinc/59/20/95/1012592095.db2.gz YUPGFZWMTRHYEH-CALCHBBNSA-N 1 1 404.514 3.994 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cc(C#N)ccc3NC3CC3)cc2)C[C@H](C)O1 ZINC000552586122 1012592112 /nfs/dbraw/zinc/59/21/12/1012592112.db2.gz YUPGFZWMTRHYEH-CALCHBBNSA-N 1 1 404.514 3.994 20 30 HHEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000552785001 1012790576 /nfs/dbraw/zinc/79/05/76/1012790576.db2.gz LPJFYGVWERONMU-UHFFFAOYSA-N 1 1 412.461 3.989 20 30 HHEDMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(CC#N)CC3)[C@H](c3ccco3)C2)cc1 ZINC000541948336 1012808392 /nfs/dbraw/zinc/80/83/92/1012808392.db2.gz JEFXQKGTHJVKSW-NRFANRHFSA-N 1 1 406.486 3.592 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](CO)c2cccc(F)c2)c1C#N ZINC000541958156 1012821820 /nfs/dbraw/zinc/82/18/20/1012821820.db2.gz NBHSEKVJZIUBEV-OAQYLSRUSA-N 1 1 412.509 3.883 20 30 HHEDMO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)C2)c(F)c1 ZINC000552873475 1012880773 /nfs/dbraw/zinc/88/07/73/1012880773.db2.gz XEKGIZRCGBQLAF-NRFANRHFSA-N 1 1 412.553 3.638 20 30 HHEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552895096 1012897597 /nfs/dbraw/zinc/89/75/97/1012897597.db2.gz CZSWKRMAZNMJMW-KRWDZBQOSA-N 1 1 402.970 3.665 20 30 HHEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542094077 1013022591 /nfs/dbraw/zinc/02/25/91/1013022591.db2.gz KDEHZZARRLOGPJ-MSOLQXFVSA-N 1 1 407.917 3.830 20 30 HHEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542094077 1013022608 /nfs/dbraw/zinc/02/26/08/1013022608.db2.gz KDEHZZARRLOGPJ-MSOLQXFVSA-N 1 1 407.917 3.830 20 30 HHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccncc2Br)no1 ZINC001211975247 1071828947 /nfs/dbraw/zinc/82/89/47/1071828947.db2.gz APKCNHUNUUCDQM-BBRMVZONSA-N 1 1 409.328 3.972 20 30 HHEDMO CC1(C)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC[N@@H+]1CCO ZINC000614894477 1071967356 /nfs/dbraw/zinc/96/73/56/1071967356.db2.gz FTTDWWIKXPGZRV-UHFFFAOYSA-N 1 1 413.905 3.533 20 30 HHEDMO CC1(C)CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC[N@H+]1CCO ZINC000614894477 1071967363 /nfs/dbraw/zinc/96/73/63/1071967363.db2.gz FTTDWWIKXPGZRV-UHFFFAOYSA-N 1 1 413.905 3.533 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC000729810122 1072126208 /nfs/dbraw/zinc/12/62/08/1072126208.db2.gz UOOBFIZFGGRHTO-LJQANCHMSA-N 1 1 405.523 3.881 20 30 HHEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC ZINC000729811870 1072127334 /nfs/dbraw/zinc/12/73/34/1072127334.db2.gz FDYGSILZFPVOSO-HKUYNNGSSA-N 1 1 412.559 3.649 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC ZINC000729811870 1072127339 /nfs/dbraw/zinc/12/73/39/1072127339.db2.gz FDYGSILZFPVOSO-HKUYNNGSSA-N 1 1 412.559 3.649 20 30 HHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000536750558 1072197392 /nfs/dbraw/zinc/19/73/92/1072197392.db2.gz MTXXDOPIXZEAHJ-QZTJIDSGSA-N 1 1 412.513 3.513 20 30 HHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000536750558 1072197398 /nfs/dbraw/zinc/19/73/98/1072197398.db2.gz MTXXDOPIXZEAHJ-QZTJIDSGSA-N 1 1 412.513 3.513 20 30 HHEDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000571073438 1072553606 /nfs/dbraw/zinc/55/36/06/1072553606.db2.gz MGFHSDFKOGRGDB-OAHLLOKOSA-N 1 1 402.296 3.776 20 30 HHEDMO CC(C)(C#N)CCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000571603603 1072677667 /nfs/dbraw/zinc/67/76/67/1072677667.db2.gz UTRUKLGWNWDERA-FCHUYYIVSA-N 1 1 411.571 3.514 20 30 HHEDMO CC(C)[NH+]1CCN(C2CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc43)CC2)CC1 ZINC000588008523 1072742910 /nfs/dbraw/zinc/74/29/10/1072742910.db2.gz PJPZDAAWODGPEM-UHFFFAOYSA-N 1 1 417.479 3.519 20 30 HHEDMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](Nc1ncc(N)cn1)c1ccnc2ccc(OC)cc21 ZINC001168381501 1072771660 /nfs/dbraw/zinc/77/16/60/1072771660.db2.gz HSUMNQLCYPALAG-GZVBHOEUSA-N 1 1 416.529 3.665 20 30 HHEDMO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571803701 1072858547 /nfs/dbraw/zinc/85/85/47/1072858547.db2.gz NEJUPIRNHSASBD-NFBKMPQASA-N 1 1 411.590 3.608 20 30 HHEDMO Cc1ccc(C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c2ccccn2)cc1 ZINC000571961241 1072955478 /nfs/dbraw/zinc/95/54/78/1072955478.db2.gz ZQDMRJTZYQQDMZ-HSZRJFAPSA-N 1 1 405.523 3.609 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000554945016 1072977872 /nfs/dbraw/zinc/97/78/72/1072977872.db2.gz AICMJYQZZNOGNW-MHECFPHRSA-N 1 1 407.489 3.931 20 30 HHEDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000555072682 1073133721 /nfs/dbraw/zinc/13/37/21/1073133721.db2.gz CWFHJLVFIQSXIN-MQVJKMGUSA-N 1 1 409.559 3.581 20 30 HHEDMO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000555105805 1073158274 /nfs/dbraw/zinc/15/82/74/1073158274.db2.gz FOWFOCGLBDXACE-JOCHJYFZSA-N 1 1 409.505 3.585 20 30 HHEDMO C[C@H]1[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000572196101 1073225625 /nfs/dbraw/zinc/22/56/25/1073225625.db2.gz JQPNKAOWOMSLLH-YADARESESA-N 1 1 418.541 3.774 20 30 HHEDMO C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298463 1073318331 /nfs/dbraw/zinc/31/83/31/1073318331.db2.gz OAKGYSXBVZRWQC-CYFREDJKSA-N 1 1 420.532 3.567 20 30 HHEDMO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298463 1073318343 /nfs/dbraw/zinc/31/83/43/1073318343.db2.gz OAKGYSXBVZRWQC-CYFREDJKSA-N 1 1 420.532 3.567 20 30 HHEDMO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298463 1073318356 /nfs/dbraw/zinc/31/83/56/1073318356.db2.gz OAKGYSXBVZRWQC-CYFREDJKSA-N 1 1 420.532 3.567 20 30 HHEDMO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000590041984 1073500594 /nfs/dbraw/zinc/50/05/94/1073500594.db2.gz KTHRUPJIELTCKO-DEOSSOPVSA-N 1 1 411.509 3.655 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000555597044 1073662774 /nfs/dbraw/zinc/66/27/74/1073662774.db2.gz ADGDJXDKILBOHM-OPAMFIHVSA-N 1 1 400.592 3.633 20 30 HHEDMO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000555685891 1073737555 /nfs/dbraw/zinc/73/75/55/1073737555.db2.gz HYLOBZNBEFJPBN-UHFFFAOYSA-N 1 1 400.530 3.759 20 30 HHEDMO N#CCC1CC[NH+](CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 ZINC000573236296 1074319225 /nfs/dbraw/zinc/31/92/25/1074319225.db2.gz TZEZMUIRZLZOKA-UHFFFAOYSA-N 1 1 411.527 3.678 20 30 HHEDMO C=CCOc1cccc(NC(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000591502306 1074349869 /nfs/dbraw/zinc/34/98/69/1074349869.db2.gz XFDCHOFFEVFQOI-UHFFFAOYSA-N 1 1 408.546 3.533 20 30 HHEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)CC1 ZINC000592340538 1074731851 /nfs/dbraw/zinc/73/18/51/1074731851.db2.gz RIIZSUMKQMSJES-QHCPKHFHSA-N 1 1 414.594 3.562 20 30 HHEDMO O=C(CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1)Nc1ccccc1 ZINC000328603985 569417170 /nfs/dbraw/zinc/41/71/70/569417170.db2.gz HZPDLUCYUMEZKG-OPAMFIHVSA-N 1 1 404.474 3.558 20 30 HHEDMO CCOC(=O)c1cc(C)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C#N ZINC001164629900 719068473 /nfs/dbraw/zinc/06/84/73/719068473.db2.gz ZVMSCCTXRZIVID-UGKGYDQZSA-N 1 1 404.514 3.539 20 30 HHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628413 719068886 /nfs/dbraw/zinc/06/88/86/719068886.db2.gz RPWRDASOSHNTJU-PXNSSMCTSA-N 1 1 424.932 3.884 20 30 HHEDMO CCCc1cc(C#N)c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc1Cl ZINC001164647540 719312208 /nfs/dbraw/zinc/31/22/08/719312208.db2.gz CQNCWVLVKQWECU-UHFFFAOYSA-N 1 1 400.958 3.961 20 30 HHEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc(C)c2C#N)CC3)cs1 ZINC001164691998 719808911 /nfs/dbraw/zinc/80/89/11/719808911.db2.gz FAPVUDIXCSHEIQ-UHFFFAOYSA-N 1 1 402.955 3.710 20 30 HHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3c(cc1C#N)CCCC3(C)C)C2 ZINC001164810289 720200298 /nfs/dbraw/zinc/20/02/98/720200298.db2.gz BGVLQZKFKVBCKY-BWKNWUBXSA-N 1 1 408.590 3.752 20 30 HHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C#C[Si](C)(C)C)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835191 720640129 /nfs/dbraw/zinc/64/01/29/720640129.db2.gz AOGCATQFZWOTOB-XPWALMASSA-N 1 1 421.665 3.885 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)ccc1C#N)[C@@H]2C ZINC001164856994 720967967 /nfs/dbraw/zinc/96/79/67/720967967.db2.gz DSFRJRAZROQPNV-CYBMUJFWSA-N 1 1 408.884 3.769 20 30 HHEDMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164897860 721513165 /nfs/dbraw/zinc/51/31/65/721513165.db2.gz GNZKIZBDXJVBIU-WMZOPIPTSA-N 1 1 400.885 3.705 20 30 HHEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900084 721526065 /nfs/dbraw/zinc/52/60/65/721526065.db2.gz NWYFKYGETNCZFI-GDBMZVCRSA-N 1 1 422.838 3.633 20 30 HHEDMO N#Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164906553 721562901 /nfs/dbraw/zinc/56/29/01/721562901.db2.gz JYNDKDJHUUSRSG-HIFRSBDPSA-N 1 1 407.276 3.741 20 30 HHEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5c(C#N)c[nH]c5n4)CC3)C2)cc1 ZINC001164940936 721927414 /nfs/dbraw/zinc/92/74/14/721927414.db2.gz WVUXYKGOJCCBEA-UHFFFAOYSA-N 1 1 401.514 3.614 20 30 HHEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(CC#N)cc4Cl)CC3)C2)cc1 ZINC001164940677 721932369 /nfs/dbraw/zinc/93/23/69/721932369.db2.gz WSMLJRYKHJTJQP-UHFFFAOYSA-N 1 1 410.949 3.981 20 30 HHEDMO N#Cc1ccc(-c2ccncc2)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955476 722021088 /nfs/dbraw/zinc/02/10/88/722021088.db2.gz IPEBDVFLMOMMHV-UHFFFAOYSA-N 1 1 410.525 3.903 20 30 HHEDMO N#Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301328255 970869761 /nfs/dbraw/zinc/86/97/61/970869761.db2.gz CIFXTSVFPCMFCV-UHFFFAOYSA-N 1 1 407.861 3.990 20 30 HHEDMO COc1ccc(C[N@H+]2CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)cc1 ZINC000301371236 970891645 /nfs/dbraw/zinc/89/16/45/970891645.db2.gz VJLNPONHMJJCKH-UHFFFAOYSA-N 1 1 417.469 3.736 20 30 HHEDMO C=C(C)C[N@@H+](CC)Cc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC ZINC000301492131 970955095 /nfs/dbraw/zinc/95/50/95/970955095.db2.gz ASPHDUWVRDMKCS-UHFFFAOYSA-N 1 1 404.580 3.629 20 30 HHEDMO C=C(C)C[N@H+](CC)Cc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC ZINC000301492131 970955103 /nfs/dbraw/zinc/95/51/03/970955103.db2.gz ASPHDUWVRDMKCS-UHFFFAOYSA-N 1 1 404.580 3.629 20 30 HHEDMO 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ZINC000303619820 971903746 /nfs/dbraw/zinc/90/37/46/971903746.db2.gz MWYURWOFBMLRMB-OAQYLSRUSA-N 1 1 424.589 3.601 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303721557 971976752 /nfs/dbraw/zinc/97/67/52/971976752.db2.gz RQTWOFMWDIWGBW-IBGZPJMESA-N 1 1 422.554 3.564 20 30 HHEDMO COc1ccc(NC(=[NH2+])NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1OC ZINC000303791611 972030331 /nfs/dbraw/zinc/03/03/31/972030331.db2.gz XUKQDJRRVSLLMI-KRWDZBQOSA-N 1 1 402.564 3.965 20 30 HHEDMO N#CC1(NC(=O)c2cc(-c3cccc(F)c3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000537591043 1013130195 /nfs/dbraw/zinc/13/01/95/1013130195.db2.gz LOWTXXILPGGUGL-UHFFFAOYSA-N 1 1 404.445 3.769 20 30 HHEDMO C[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC(C)(C)C1 ZINC000542251777 1013211519 /nfs/dbraw/zinc/21/15/19/1013211519.db2.gz PJCTWHFHNICQKN-MSOLQXFVSA-N 1 1 412.578 3.724 20 30 HHEDMO C[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC(C)(C)C1 ZINC000542251777 1013211531 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DWWMXIPNFAYSGI-HSZRJFAPSA-N 1 1 412.493 3.640 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)nc1 ZINC000428801524 976079702 /nfs/dbraw/zinc/07/97/02/976079702.db2.gz HWGBRRVZFMJYIL-UPVQGACJSA-N 1 1 415.493 3.513 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)nc1 ZINC000428809919 976088748 /nfs/dbraw/zinc/08/87/48/976088748.db2.gz WZZDNXGIMWWUTM-WOJBJXKFSA-N 1 1 412.493 3.575 20 30 HHEDMO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428814717 976094481 /nfs/dbraw/zinc/09/44/81/976094481.db2.gz SKKCFDFESMJXGU-WAOWUJCRSA-N 1 1 414.509 3.825 20 30 HHEDMO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428814717 976094500 /nfs/dbraw/zinc/09/45/00/976094500.db2.gz SKKCFDFESMJXGU-WAOWUJCRSA-N 1 1 414.509 3.825 20 30 HHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)C1 ZINC000428990206 976271220 /nfs/dbraw/zinc/27/12/20/976271220.db2.gz 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CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000429282934 976566582 /nfs/dbraw/zinc/56/65/82/976566582.db2.gz FBOSXJMSOMEDEO-UHFFFAOYSA-N 1 1 420.485 3.629 20 30 HHEDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1C(C)C ZINC000429376049 976647420 /nfs/dbraw/zinc/64/74/20/976647420.db2.gz DDTBIOJQYDIEII-JXFKEZNVSA-N 1 1 417.575 3.737 20 30 HHEDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000429733584 977023049 /nfs/dbraw/zinc/02/30/49/977023049.db2.gz XPFUQBABLJMROF-UHFFFAOYSA-N 1 1 413.525 3.730 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCSCC[C@H]2C)c1C#N ZINC000429772171 977058868 /nfs/dbraw/zinc/05/88/68/977058868.db2.gz NPGLAYBTPMDWHH-CQSZACIVSA-N 1 1 400.523 3.871 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCSCC[C@H]2C)c1C#N ZINC000429772171 977058874 /nfs/dbraw/zinc/05/88/74/977058874.db2.gz NPGLAYBTPMDWHH-CQSZACIVSA-N 1 1 400.523 3.871 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C2)nc1 ZINC000430161406 977357274 /nfs/dbraw/zinc/35/72/74/977357274.db2.gz NCFQPRBLRDXORX-IBGZPJMESA-N 1 1 413.403 3.811 20 30 HHEDMO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000430180886 977374588 /nfs/dbraw/zinc/37/45/88/977374588.db2.gz SOKSDZLWQUMUHE-GOSISDBHSA-N 1 1 403.438 3.653 20 30 HHEDMO N#CCCn1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1-c1ccccc1 ZINC000430295994 977455574 /nfs/dbraw/zinc/45/55/74/977455574.db2.gz RYKOQXRGWDVCAU-DENIHFKCSA-N 1 1 403.530 3.553 20 30 HHEDMO CN(C(=O)[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1)c1ccccc1 ZINC000430295743 977455684 /nfs/dbraw/zinc/45/56/84/977455684.db2.gz IGBYQNIZFSQFLD-IBGZPJMESA-N 1 1 414.509 3.723 20 30 HHEDMO CN(C(=O)[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1)c1ccccc1 ZINC000430295743 977455688 /nfs/dbraw/zinc/45/56/88/977455688.db2.gz IGBYQNIZFSQFLD-IBGZPJMESA-N 1 1 414.509 3.723 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430340666 977488307 /nfs/dbraw/zinc/48/83/07/977488307.db2.gz GUICNCWXJRYDRI-GOSISDBHSA-N 1 1 409.555 3.888 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430340666 977488313 /nfs/dbraw/zinc/48/83/13/977488313.db2.gz GUICNCWXJRYDRI-GOSISDBHSA-N 1 1 409.555 3.888 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430642649 977664713 /nfs/dbraw/zinc/66/47/13/977664713.db2.gz VSXRRHSLNNLNNK-DENIHFKCSA-N 1 1 421.541 3.895 20 30 HHEDMO C=CCN1C(=O)N([C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430931380 977895981 /nfs/dbraw/zinc/89/59/81/977895981.db2.gz COCUOFFVHSFZDA-GOTSBHOMSA-N 1 1 403.526 3.713 20 30 HHEDMO C=CCCCCCN(C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000431107864 978023323 /nfs/dbraw/zinc/02/33/23/978023323.db2.gz MDAHEVMUAZSOCP-UHFFFAOYSA-N 1 1 400.567 3.603 20 30 HHEDMO C=CCN1C(=O)N([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431224086 978104975 /nfs/dbraw/zinc/10/49/75/978104975.db2.gz MJOOOWAJRXJAOL-AJSBUHFISA-N 1 1 403.526 3.568 20 30 HHEDMO N#CCCC[C@H](NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000431862207 978557850 /nfs/dbraw/zinc/55/78/50/978557850.db2.gz XKEMHKOQBQTURQ-QHCPKHFHSA-N 1 1 423.536 3.682 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 ZINC000431991787 978634898 /nfs/dbraw/zinc/63/48/98/978634898.db2.gz LNDZWKZZNAEXLL-OAHLLOKOSA-N 1 1 403.486 3.580 20 30 HHEDMO COc1cc(-c2noc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2)ccc1C ZINC000432933478 979015506 /nfs/dbraw/zinc/01/55/06/979015506.db2.gz NRNLDUMQAAXGDB-UHFFFAOYSA-N 1 1 417.513 3.633 20 30 HHEDMO N#CCCC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)c1ccccc1 ZINC000433033115 979047791 /nfs/dbraw/zinc/04/77/91/979047791.db2.gz DCSDZDDHNJQIFS-QGZVFWFLSA-N 1 1 411.307 3.950 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433067467 979057172 /nfs/dbraw/zinc/05/71/72/979057172.db2.gz NLMVXTMFTARGGS-NRFANRHFSA-N 1 1 408.546 3.831 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433067467 979057174 /nfs/dbraw/zinc/05/71/74/979057174.db2.gz NLMVXTMFTARGGS-NRFANRHFSA-N 1 1 408.546 3.831 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433080307 979062340 /nfs/dbraw/zinc/06/23/40/979062340.db2.gz BUVQQKOEGOOQRD-FQEVSTJZSA-N 1 1 402.542 3.873 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCCSC1 ZINC000433178846 979122128 /nfs/dbraw/zinc/12/21/28/979122128.db2.gz GWTQPGLZDJOUSZ-IRXDYDNUSA-N 1 1 407.605 3.721 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCCSC1 ZINC000433178846 979122130 /nfs/dbraw/zinc/12/21/30/979122130.db2.gz GWTQPGLZDJOUSZ-IRXDYDNUSA-N 1 1 407.605 3.721 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCCSC1 ZINC000433190958 979130318 /nfs/dbraw/zinc/13/03/18/979130318.db2.gz YJIHVFIUIALSDH-DLBZAZTESA-N 1 1 407.605 3.863 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H]1CCCSC1 ZINC000433190958 979130320 /nfs/dbraw/zinc/13/03/20/979130320.db2.gz YJIHVFIUIALSDH-DLBZAZTESA-N 1 1 407.605 3.863 20 30 HHEDMO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCO1 ZINC000433472208 979323543 /nfs/dbraw/zinc/32/35/43/979323543.db2.gz UUNQIHJBGBAUJD-SFHVURJKSA-N 1 1 408.502 3.973 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1C ZINC000434389503 980133557 /nfs/dbraw/zinc/13/35/57/980133557.db2.gz HRZVEDKKSVCJTN-FQEVSTJZSA-N 1 1 416.529 3.824 20 30 HHEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000435102482 980639431 /nfs/dbraw/zinc/63/94/31/980639431.db2.gz HZDDPZKLQJVCFO-YADHBBJMSA-N 1 1 417.513 3.901 20 30 HHEDMO CN(Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435126695 980658036 /nfs/dbraw/zinc/65/80/36/980658036.db2.gz PUZFVTZWNUAZEH-JOCHJYFZSA-N 1 1 414.557 3.813 20 30 HHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000435126695 980658052 /nfs/dbraw/zinc/65/80/52/980658052.db2.gz PUZFVTZWNUAZEH-JOCHJYFZSA-N 1 1 414.557 3.813 20 30 HHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000435126695 980658055 /nfs/dbraw/zinc/65/80/55/980658055.db2.gz PUZFVTZWNUAZEH-JOCHJYFZSA-N 1 1 414.557 3.813 20 30 HHEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000435129541 980660779 /nfs/dbraw/zinc/66/07/79/980660779.db2.gz MVRLBNFEUJLHSB-UHFFFAOYSA-N 1 1 416.529 3.583 20 30 HHEDMO N#CCCn1cc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c(-c2ccncc2)n1 ZINC000435133884 980664795 /nfs/dbraw/zinc/66/47/95/980664795.db2.gz DPAAEBAJVAPCNV-UHFFFAOYSA-N 1 1 423.524 3.729 20 30 HHEDMO C=CCC[C@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000435140539 980672078 /nfs/dbraw/zinc/67/20/78/980672078.db2.gz ITUUPTVJSUXYIG-FCHUYYIVSA-N 1 1 406.530 3.965 20 30 HHEDMO C=CCC[C@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000435140539 980672081 /nfs/dbraw/zinc/67/20/81/980672081.db2.gz ITUUPTVJSUXYIG-FCHUYYIVSA-N 1 1 406.530 3.965 20 30 HHEDMO N#CCCCn1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc21 ZINC000435232269 980736933 /nfs/dbraw/zinc/73/69/33/980736933.db2.gz KGAQVISRGDIMTL-UHFFFAOYSA-N 1 1 416.525 3.707 20 30 HHEDMO CC(C)Oc1ccc(NC(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)cc1C#N ZINC000435552796 980937782 /nfs/dbraw/zinc/93/77/82/980937782.db2.gz WRKCFGRAPSFOOU-UHFFFAOYSA-N 1 1 421.545 3.631 20 30 HHEDMO Cc1cc(NC(=O)CNc2ccc(C#N)cc2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435692972 980989269 /nfs/dbraw/zinc/98/92/69/980989269.db2.gz HQZJLNLIXIIKPY-JOCHJYFZSA-N 1 1 414.513 3.561 20 30 HHEDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436332748 981305832 /nfs/dbraw/zinc/30/58/32/981305832.db2.gz IECRPYUJUUJJNF-RTBURBONSA-N 1 1 420.557 3.773 20 30 HHEDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436332745 981305856 /nfs/dbraw/zinc/30/58/56/981305856.db2.gz IECRPYUJUUJJNF-MOPGFXCFSA-N 1 1 420.557 3.773 20 30 HHEDMO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000436346237 981314878 /nfs/dbraw/zinc/31/48/78/981314878.db2.gz WILVBWVDASAUMM-NRFANRHFSA-N 1 1 404.489 3.545 20 30 HHEDMO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000436347037 981315389 /nfs/dbraw/zinc/31/53/89/981315389.db2.gz QWIZKEGJCLECOE-LJQANCHMSA-N 1 1 408.452 3.953 20 30 HHEDMO C[NH+](C)Cc1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000436699652 981520085 /nfs/dbraw/zinc/52/00/85/981520085.db2.gz WAGFMARKQPQDNR-INIZCTEOSA-N 1 1 406.511 3.827 20 30 HHEDMO N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)nc1 ZINC000448201961 981613984 /nfs/dbraw/zinc/61/39/84/981613984.db2.gz IIRBGEFLIPMGSD-UGKGYDQZSA-N 1 1 402.498 3.834 20 30 HHEDMO Cc1nc(SCC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000437055299 981726190 /nfs/dbraw/zinc/72/61/90/981726190.db2.gz MUJWDQXAAHMEFW-OAQYLSRUSA-N 1 1 422.598 3.951 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460383139 982161769 /nfs/dbraw/zinc/16/17/69/982161769.db2.gz DFDTZNXOIZDCDF-AZUAARDMSA-N 1 1 408.550 3.614 20 30 HHEDMO N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)s2)cc1 ZINC000437542639 982172313 /nfs/dbraw/zinc/17/23/13/982172313.db2.gz WZHKTCHFSOQEBH-LJQANCHMSA-N 1 1 409.559 3.992 20 30 HHEDMO CCC(CC)[C@H](CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC000437629936 982250680 /nfs/dbraw/zinc/25/06/80/982250680.db2.gz ZSQUWCZBAJADOY-QFIPXVFZSA-N 1 1 400.567 3.617 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460546671 982333054 /nfs/dbraw/zinc/33/30/54/982333054.db2.gz VPGDXESNFAMWRP-IBGZPJMESA-N 1 1 411.550 3.601 20 30 HHEDMO C=C(C)Cn1c(COCC)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460587174 982371722 /nfs/dbraw/zinc/37/17/22/982371722.db2.gz UQDUTBFYWWCMDC-XMMPIXPASA-N 1 1 409.578 3.883 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[N@H+]1C ZINC000437883704 982434744 /nfs/dbraw/zinc/43/47/44/982434744.db2.gz PAVGAUCPNLILPH-IERDGZPVSA-N 1 1 405.502 3.757 20 30 HHEDMO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460724294 982478874 /nfs/dbraw/zinc/47/88/74/982478874.db2.gz ZQJDRYAHBVLYNQ-GHTZIAJQSA-N 1 1 410.566 3.552 20 30 HHEDMO C=C(C)Cn1c(N(C)[C@H]2CC[N@H+](C3CC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000460800123 982552354 /nfs/dbraw/zinc/55/23/54/982552354.db2.gz BANGUHWUZKUNII-KRWDZBQOSA-N 1 1 403.477 3.655 20 30 HHEDMO C=C(C)Cn1c(N(C)[C@@H]2CC[N@H+](C3CC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000460800124 982552450 /nfs/dbraw/zinc/55/24/50/982552450.db2.gz BANGUHWUZKUNII-QGZVFWFLSA-N 1 1 403.477 3.655 20 30 HHEDMO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460811170 982564516 /nfs/dbraw/zinc/56/45/16/982564516.db2.gz GLWLSFAFRLUTAI-LJQANCHMSA-N 1 1 401.599 3.667 20 30 HHEDMO C[C@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460882437 982621397 /nfs/dbraw/zinc/62/13/97/982621397.db2.gz MLDINBJJJYLNGM-FQEVSTJZSA-N 1 1 421.589 3.811 20 30 HHEDMO C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460882437 982621401 /nfs/dbraw/zinc/62/14/01/982621401.db2.gz MLDINBJJJYLNGM-FQEVSTJZSA-N 1 1 421.589 3.811 20 30 HHEDMO C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460938444 982676631 /nfs/dbraw/zinc/67/66/31/982676631.db2.gz QNCQIFWWIWSYNC-QGZVFWFLSA-N 1 1 401.580 3.581 20 30 HHEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460950114 982684533 /nfs/dbraw/zinc/68/45/33/982684533.db2.gz DRPVCSKNERATBN-LEWJYISDSA-N 1 1 416.573 3.939 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460958573 982691023 /nfs/dbraw/zinc/69/10/23/982691023.db2.gz NFHLFRWLSAJLIJ-QGZVFWFLSA-N 1 1 415.969 3.864 20 30 HHEDMO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000460963502 982694239 /nfs/dbraw/zinc/69/42/39/982694239.db2.gz OOFUNAZDRBIUCU-NRFANRHFSA-N 1 1 423.605 3.719 20 30 HHEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461424397 983087543 /nfs/dbraw/zinc/08/75/43/983087543.db2.gz GDTDTVZWSZDXDY-CUYJMHBOSA-N 1 1 417.553 3.942 20 30 HHEDMO CC(C)(C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1cc(F)cc(C#N)c1 ZINC000461458972 983125775 /nfs/dbraw/zinc/12/57/75/983125775.db2.gz XKRFZEWQDBTDHM-RTWAWAEBSA-N 1 1 405.517 3.955 20 30 HHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000439437634 983408524 /nfs/dbraw/zinc/40/85/24/983408524.db2.gz ZOTWOBRMITUPML-MSOLQXFVSA-N 1 1 416.591 3.504 20 30 HHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000439454651 983417730 /nfs/dbraw/zinc/41/77/30/983417730.db2.gz OGHCUXMMCQXNAZ-ZWKOTPCHSA-N 1 1 416.591 3.646 20 30 HHEDMO CCCc1c(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cnn1-c1cccc(C#N)c1 ZINC000439674862 983496005 /nfs/dbraw/zinc/49/60/05/983496005.db2.gz QUDCNXIOUPSWPX-YQQQUEKLSA-N 1 1 406.534 3.833 20 30 HHEDMO CCCc1c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cnn1-c1cccc(C#N)c1 ZINC000439676625 983496992 /nfs/dbraw/zinc/49/69/92/983496992.db2.gz WZAIAHFVTITTIE-RXVVDRJESA-N 1 1 406.534 3.644 20 30 HHEDMO CCCc1c(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439706654 983510246 /nfs/dbraw/zinc/51/02/46/983510246.db2.gz WGKYAAGASCANNE-UWJYYQICSA-N 1 1 408.550 3.890 20 30 HHEDMO N#Cc1c(Br)cccc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000439959027 983595451 /nfs/dbraw/zinc/59/54/51/983595451.db2.gz BSFLDLNTSYMPJT-UHFFFAOYSA-N 1 1 413.319 3.836 20 30 HHEDMO C[C@@H]1C[N@@H+](CCCNc2c(C#N)cnc3c(Br)cccc32)CCCO1 ZINC000440660395 983842867 /nfs/dbraw/zinc/84/28/67/983842867.db2.gz DCQRHSGHTFTIDG-CQSZACIVSA-N 1 1 403.324 3.782 20 30 HHEDMO C=CCC[C@@H](NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440865777 983941972 /nfs/dbraw/zinc/94/19/72/983941972.db2.gz QCCJYQOGFHGXKG-VQIMIIECSA-N 1 1 412.500 3.648 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000440963988 984000427 /nfs/dbraw/zinc/00/04/27/984000427.db2.gz XBNQCOZVNSTGSS-IEBWSBKVSA-N 1 1 420.513 3.539 20 30 HHEDMO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000441069238 984053880 /nfs/dbraw/zinc/05/38/80/984053880.db2.gz NVEWJTWYOKBJQG-CPJSRVTESA-N 1 1 400.526 3.721 20 30 HHEDMO C[C@@H](O)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441220609 984122397 /nfs/dbraw/zinc/12/23/97/984122397.db2.gz CSOZQYHDKIUYSM-RTBURBONSA-N 1 1 413.949 3.901 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000441332384 984190210 /nfs/dbraw/zinc/19/02/10/984190210.db2.gz JVMWRYRIXMBUBT-IRLDBZIGSA-N 1 1 421.541 3.869 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441399349 984230682 /nfs/dbraw/zinc/23/06/82/984230682.db2.gz DTAGRPOSXLQDHA-LVCYWYKZSA-N 1 1 412.603 3.826 20 30 HHEDMO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@H+]1CC[C@H]([C@@H]3CCOC3)C1)CCCC2 ZINC000441665375 984383306 /nfs/dbraw/zinc/38/33/06/984383306.db2.gz RYWFONSJEFUPQE-RBUKOAKNSA-N 1 1 418.541 3.525 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000441674817 984388810 /nfs/dbraw/zinc/38/88/10/984388810.db2.gz XDWIRCKXEIAYTG-QGZVFWFLSA-N 1 1 418.497 3.952 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000441859886 984504617 /nfs/dbraw/zinc/50/46/17/984504617.db2.gz FHLNWHASGIGWEQ-UHFFFAOYSA-N 1 1 420.513 3.844 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000461727576 984742386 /nfs/dbraw/zinc/74/23/86/984742386.db2.gz GBAIIUCJXVLSMC-NYVOZVTQSA-N 1 1 422.577 3.552 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000461959040 984950729 /nfs/dbraw/zinc/95/07/29/984950729.db2.gz OOXBJXOYZWWSCI-MRXNPFEDSA-N 1 1 401.470 3.586 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000462229768 985210765 /nfs/dbraw/zinc/21/07/65/985210765.db2.gz FYQJGLYMRDLWDS-UHFFFAOYSA-N 1 1 407.518 3.690 20 30 HHEDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443136614 985399279 /nfs/dbraw/zinc/39/92/79/985399279.db2.gz XMOKUULDDPJOJR-FUHWJXTLSA-N 1 1 417.962 3.885 20 30 HHEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443136618 985399719 /nfs/dbraw/zinc/39/97/19/985399719.db2.gz XMOKUULDDPJOJR-WMZOPIPTSA-N 1 1 417.962 3.885 20 30 HHEDMO CCN(C(=O)NCc1ccc(C#N)c(OC)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000462476616 985433597 /nfs/dbraw/zinc/43/35/97/985433597.db2.gz AQBLYKANTXDELC-GCJKJVERSA-N 1 1 406.530 3.934 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H]1C ZINC000443374816 985534970 /nfs/dbraw/zinc/53/49/70/985534970.db2.gz QJKCYTHGUXMKBP-YLJYHZDGSA-N 1 1 420.513 3.620 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H]1C ZINC000443374814 985535469 /nfs/dbraw/zinc/53/54/69/985535469.db2.gz QJKCYTHGUXMKBP-XLIONFOSSA-N 1 1 420.513 3.620 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H]1C ZINC000443384905 985543144 /nfs/dbraw/zinc/54/31/44/985543144.db2.gz KZHFCHUSQPNBKJ-FXAWDEMLSA-N 1 1 420.513 3.620 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000443456443 985626572 /nfs/dbraw/zinc/62/65/72/985626572.db2.gz QKRWPGMATMJBHL-LJQANCHMSA-N 1 1 403.448 3.693 20 30 HHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cc2)c1C ZINC000462763873 985701164 /nfs/dbraw/zinc/70/11/64/985701164.db2.gz MPPMAUJXPUQKHH-SFHVURJKSA-N 1 1 403.461 3.965 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000443607702 985787455 /nfs/dbraw/zinc/78/74/55/985787455.db2.gz UZGIKLHMTWSWCE-NJYVYQBISA-N 1 1 421.459 3.982 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000443607702 985787462 /nfs/dbraw/zinc/78/74/62/985787462.db2.gz UZGIKLHMTWSWCE-NJYVYQBISA-N 1 1 421.459 3.982 20 30 HHEDMO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(C#N)cc3OC(F)F)CC2)c1 ZINC000468143676 985811154 /nfs/dbraw/zinc/81/11/54/985811154.db2.gz IUIKAUPOKPBYPX-UHFFFAOYSA-N 1 1 417.456 3.889 20 30 HHEDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)CC2)c1 ZINC000468143676 985811165 /nfs/dbraw/zinc/81/11/65/985811165.db2.gz IUIKAUPOKPBYPX-UHFFFAOYSA-N 1 1 417.456 3.889 20 30 HHEDMO Cc1cc(S(=O)(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000443876385 986077862 /nfs/dbraw/zinc/07/78/62/986077862.db2.gz HWRMHVIJOBTXEK-UHFFFAOYSA-N 1 1 409.555 3.544 20 30 HHEDMO COc1ccc(Cn2nc(C)c(C[NH+]3CCN(c4ccccc4C#N)CC3)c2C)cc1 ZINC000468403463 986102633 /nfs/dbraw/zinc/10/26/33/986102633.db2.gz XIVWTHBBTMHKCA-UHFFFAOYSA-N 1 1 415.541 3.751 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000463203106 986174817 /nfs/dbraw/zinc/17/48/17/986174817.db2.gz JKADYILHQIIMJX-ZLNRFVROSA-N 1 1 413.562 3.738 20 30 HHEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207049 986179122 /nfs/dbraw/zinc/17/91/22/986179122.db2.gz YPXHPLCBMPCLTA-NJYVYQBISA-N 1 1 422.491 3.579 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(N[C@@H](CO)c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000463245210 986212724 /nfs/dbraw/zinc/21/27/24/986212724.db2.gz YJSONEBNBBHTEU-FQEVSTJZSA-N 1 1 419.447 3.744 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(N[C@H](CO)c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000463245211 986213020 /nfs/dbraw/zinc/21/30/20/986213020.db2.gz YJSONEBNBBHTEU-HXUWFJFHSA-N 1 1 419.447 3.744 20 30 HHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463437217 986413843 /nfs/dbraw/zinc/41/38/43/986413843.db2.gz QHSMGVBXUORYQZ-HSZRJFAPSA-N 1 1 409.555 3.558 20 30 HHEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463437217 986413847 /nfs/dbraw/zinc/41/38/47/986413847.db2.gz QHSMGVBXUORYQZ-HSZRJFAPSA-N 1 1 409.555 3.558 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463440052 986418131 /nfs/dbraw/zinc/41/81/31/986418131.db2.gz DGYHRZJENPYUIE-UZUQRXQVSA-N 1 1 411.933 3.856 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463440052 986418135 /nfs/dbraw/zinc/41/81/35/986418135.db2.gz DGYHRZJENPYUIE-UZUQRXQVSA-N 1 1 411.933 3.856 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1C#N ZINC000444241767 986434130 /nfs/dbraw/zinc/43/41/30/986434130.db2.gz RVALEPTUIYSKMS-QFIPXVFZSA-N 1 1 420.513 3.612 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](CCO)c2ccccc2)c1C#N ZINC000444241767 986434133 /nfs/dbraw/zinc/43/41/33/986434133.db2.gz RVALEPTUIYSKMS-QFIPXVFZSA-N 1 1 420.513 3.612 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3noc(-c4ccc(F)cc4F)n3)CC2)cc1 ZINC000444569607 986761443 /nfs/dbraw/zinc/76/14/43/986761443.db2.gz FTFRISOZRLQMPG-UHFFFAOYSA-N 1 1 409.440 3.594 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444793179 986947880 /nfs/dbraw/zinc/94/78/80/986947880.db2.gz RIOUPABGZYMMCN-KRWDZBQOSA-N 1 1 411.933 3.856 20 30 HHEDMO C[C@H]1C[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000469231714 986952561 /nfs/dbraw/zinc/95/25/61/986952561.db2.gz JTKQXVSTYMOXAO-UWJYYQICSA-N 1 1 400.482 3.996 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444796722 986952669 /nfs/dbraw/zinc/95/26/69/986952669.db2.gz WWMBANOBHAAXGO-JKSUJKDBSA-N 1 1 411.575 3.829 20 30 HHEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000444824689 986980048 /nfs/dbraw/zinc/98/00/48/986980048.db2.gz AEFISURPXZLDEE-KRWDZBQOSA-N 1 1 408.502 3.659 20 30 HHEDMO N#Cc1cccc(-c2cc(C(=O)NC[C@H]3CSCC[N@@H+]3Cc3ccccc3)on2)c1 ZINC000469317873 987028934 /nfs/dbraw/zinc/02/89/34/987028934.db2.gz GDTZLCLHYHNGAC-FQEVSTJZSA-N 1 1 418.522 3.561 20 30 HHEDMO N#Cc1cccc(-c2cc(C(=O)NC[C@H]3CSCC[N@H+]3Cc3ccccc3)on2)c1 ZINC000469317873 987028942 /nfs/dbraw/zinc/02/89/42/987028942.db2.gz GDTZLCLHYHNGAC-FQEVSTJZSA-N 1 1 418.522 3.561 20 30 HHEDMO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[N@H+]1CC(C)(C)O ZINC000444899568 987048401 /nfs/dbraw/zinc/04/84/01/987048401.db2.gz IJZYLFLZDXWISH-KRWDZBQOSA-N 1 1 408.502 3.659 20 30 HHEDMO CCC[C@H]1CN(CCOc2ccccc2C#N)CC[N@H+]1CCOc1ccccc1C#N ZINC000470221359 988150230 /nfs/dbraw/zinc/15/02/30/988150230.db2.gz YFQVZZGCEJJJBZ-QHCPKHFHSA-N 1 1 418.541 3.674 20 30 HHEDMO CCC[C@H]1C[N@H+](CCOc2ccccc2C#N)CCN1CCOc1ccccc1C#N ZINC000470221359 988150231 /nfs/dbraw/zinc/15/02/31/988150231.db2.gz YFQVZZGCEJJJBZ-QHCPKHFHSA-N 1 1 418.541 3.674 20 30 HHEDMO CCC[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCN1CCOc1ccccc1C#N ZINC000470221359 988150234 /nfs/dbraw/zinc/15/02/34/988150234.db2.gz YFQVZZGCEJJJBZ-QHCPKHFHSA-N 1 1 418.541 3.674 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470674019 988697812 /nfs/dbraw/zinc/69/78/12/988697812.db2.gz JFCNVSGHFLHGAE-QFIPXVFZSA-N 1 1 421.541 3.849 20 30 HHEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470811730 988873737 /nfs/dbraw/zinc/87/37/37/988873737.db2.gz OCZFVDNWDFWYFT-HOTGVXAUSA-N 1 1 423.355 3.822 20 30 HHEDMO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470811730 988873759 /nfs/dbraw/zinc/87/37/59/988873759.db2.gz OCZFVDNWDFWYFT-HOTGVXAUSA-N 1 1 423.355 3.822 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470831992 988905557 /nfs/dbraw/zinc/90/55/57/988905557.db2.gz PDKHSOLXBPHVFK-DVECYGJZSA-N 1 1 400.526 3.931 20 30 HHEDMO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000464781590 989008865 /nfs/dbraw/zinc/00/88/65/989008865.db2.gz WBVMHNSMAJGKQH-MHECFPHRSA-N 1 1 412.578 3.868 20 30 HHEDMO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000464781590 989008871 /nfs/dbraw/zinc/00/88/71/989008871.db2.gz WBVMHNSMAJGKQH-MHECFPHRSA-N 1 1 412.578 3.868 20 30 HHEDMO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000464790836 989021800 /nfs/dbraw/zinc/02/18/00/989021800.db2.gz 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20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471023302 989094339 /nfs/dbraw/zinc/09/43/39/989094339.db2.gz RWMHJPTUAFZZEX-FCEUIQTBSA-N 1 1 409.599 3.715 20 30 HHEDMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000471033194 989105706 /nfs/dbraw/zinc/10/57/06/989105706.db2.gz SOMQUSBYHREQSQ-HXUWFJFHSA-N 1 1 407.562 3.568 20 30 HHEDMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000471033193 989105724 /nfs/dbraw/zinc/10/57/24/989105724.db2.gz SOMQUSBYHREQSQ-FQEVSTJZSA-N 1 1 407.562 3.568 20 30 HHEDMO C[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C2(CCCCC2)C1 ZINC000471040105 989116055 /nfs/dbraw/zinc/11/60/55/989116055.db2.gz XYBZNORXJZNJOT-UHFFFAOYSA-N 1 1 400.592 3.777 20 30 HHEDMO CCC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045333 989123470 /nfs/dbraw/zinc/12/34/70/989123470.db2.gz YXMVNKKQZFNQOS-DLBZAZTESA-N 1 1 402.608 3.737 20 30 HHEDMO 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3.849 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475752497 996348855 /nfs/dbraw/zinc/34/88/55/996348855.db2.gz ZMYLVNMOXMKUCR-NLFFAJNJSA-N 1 1 402.542 3.873 20 30 HHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000483894259 996453916 /nfs/dbraw/zinc/45/39/16/996453916.db2.gz GAAPUYBYFJZISQ-PKOBYXMFSA-N 1 1 418.904 3.935 20 30 HHEDMO CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000483894259 996453919 /nfs/dbraw/zinc/45/39/19/996453919.db2.gz GAAPUYBYFJZISQ-PKOBYXMFSA-N 1 1 418.904 3.935 20 30 HHEDMO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(OC(C)C)c1 ZINC000476036300 996557884 /nfs/dbraw/zinc/55/78/84/996557884.db2.gz SZHBGUWBRGSMPF-UHFFFAOYSA-N 1 1 407.514 3.702 20 30 HHEDMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(OC(C)C)c1 ZINC000476036300 996557891 /nfs/dbraw/zinc/55/78/91/996557891.db2.gz SZHBGUWBRGSMPF-UHFFFAOYSA-N 1 1 407.514 3.702 20 30 HHEDMO CN(C(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000476136269 996626227 /nfs/dbraw/zinc/62/62/27/996626227.db2.gz FMYGQUICJJPTJR-GGAORHGYSA-N 1 1 418.541 3.879 20 30 HHEDMO CN(C(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000476136251 996626258 /nfs/dbraw/zinc/62/62/58/996626258.db2.gz FMYGQUICJJPTJR-FYYLOGMGSA-N 1 1 418.541 3.879 20 30 HHEDMO COC(=O)[C@H](C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC000484480777 996800307 /nfs/dbraw/zinc/80/03/07/996800307.db2.gz RRGQLCAARWAXJM-AWEZNQCLSA-N 1 1 403.548 3.633 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1OCC ZINC000484733119 997075807 /nfs/dbraw/zinc/07/58/07/997075807.db2.gz AYLSYFKYVFFKSK-NPMABZOXSA-N 1 1 404.370 3.611 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc1OCC ZINC000484733119 997075818 /nfs/dbraw/zinc/07/58/18/997075818.db2.gz AYLSYFKYVFFKSK-NPMABZOXSA-N 1 1 404.370 3.611 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CC[C@@H](C)C1 ZINC000484895949 997264024 /nfs/dbraw/zinc/26/40/24/997264024.db2.gz RDXVIKTWWCZYJG-VQIMIIECSA-N 1 1 412.534 3.693 20 30 HHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000485053422 997418290 /nfs/dbraw/zinc/41/82/90/997418290.db2.gz KRWYEJDOMRBJDR-UHFFFAOYSA-N 1 1 405.424 3.773 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000477011020 997644223 /nfs/dbraw/zinc/64/42/23/997644223.db2.gz KIGRVKYZXOGRMB-IBGZPJMESA-N 1 1 403.404 3.979 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000477011020 997644229 /nfs/dbraw/zinc/64/42/29/997644229.db2.gz KIGRVKYZXOGRMB-IBGZPJMESA-N 1 1 403.404 3.979 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@]4(CCCOC4)C3)sc2C1 ZINC000477043552 997678904 /nfs/dbraw/zinc/67/89/04/997678904.db2.gz NFGYSDQMONRCQU-KSFYIVLOSA-N 1 1 401.576 3.966 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477064610 997709979 /nfs/dbraw/zinc/70/99/79/997709979.db2.gz KXYBEWZLPKXSHX-RUZDIDTESA-N 1 1 420.557 3.856 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477064610 997709988 /nfs/dbraw/zinc/70/99/88/997709988.db2.gz KXYBEWZLPKXSHX-RUZDIDTESA-N 1 1 420.557 3.856 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C#N ZINC000485343441 997762907 /nfs/dbraw/zinc/76/29/07/997762907.db2.gz FQGDTLKNSBYKNU-SIKLNZKXSA-N 1 1 411.594 3.836 20 30 HHEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000477138248 997794909 /nfs/dbraw/zinc/79/49/09/997794909.db2.gz WMJDOVIFEHVBOQ-JOCHJYFZSA-N 1 1 422.529 3.564 20 30 HHEDMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000477166813 997831816 /nfs/dbraw/zinc/83/18/16/997831816.db2.gz QSBBORMJZQBFAB-UHFFFAOYSA-N 1 1 416.319 3.969 20 30 HHEDMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000477166813 997831841 /nfs/dbraw/zinc/83/18/41/997831841.db2.gz QSBBORMJZQBFAB-UHFFFAOYSA-N 1 1 416.319 3.969 20 30 HHEDMO C=C(C)[C@H](NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000477190975 997861316 /nfs/dbraw/zinc/86/13/16/997861316.db2.gz JEHYGWNZQGUEOR-KNQAVFIVSA-N 1 1 415.484 3.648 20 30 HHEDMO CC(C)[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[N@H+]1C ZINC000486250219 998675520 /nfs/dbraw/zinc/67/55/20/998675520.db2.gz AZMZMXYHZKYDIN-NRFANRHFSA-N 1 1 405.502 3.614 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000486263414 998683573 /nfs/dbraw/zinc/68/35/73/998683573.db2.gz ZVOOHUDWHAVOMS-GHTZIAJQSA-N 1 1 422.525 3.754 20 30 HHEDMO CC[N@@H+](C)CCNC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C ZINC000486328879 998714544 /nfs/dbraw/zinc/71/45/44/998714544.db2.gz VXZPQWBJUUZXEH-UHFFFAOYSA-N 1 1 400.548 3.707 20 30 HHEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000478023468 998718620 /nfs/dbraw/zinc/71/86/20/998718620.db2.gz ZWHVZZBCXMSMCS-RPWUZVMVSA-N 1 1 418.541 3.552 20 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C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000478613383 999046989 /nfs/dbraw/zinc/04/69/89/999046989.db2.gz DGGGDZQECWCCDK-MRXNPFEDSA-N 1 1 416.953 3.653 20 30 HHEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000487397137 999160348 /nfs/dbraw/zinc/16/03/48/999160348.db2.gz SQJQJFVDFMVLBD-UHFFFAOYSA-N 1 1 401.470 3.930 20 30 HHEDMO C=CCN(CCOC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000478854945 999177166 /nfs/dbraw/zinc/17/71/66/999177166.db2.gz LOBUGJQGVLHPME-MJGOQNOKSA-N 1 1 413.484 3.932 20 30 HHEDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1O ZINC000487507266 999202348 /nfs/dbraw/zinc/20/23/48/999202348.db2.gz ISNSILIHHSDZMP-AWEZNQCLSA-N 1 1 413.543 3.919 20 30 HHEDMO CC[N@@H+](CCNC(=O)Nc1ccc(C#N)c(Br)c1)CCC(F)(F)F ZINC000487927206 999318437 /nfs/dbraw/zinc/31/84/37/999318437.db2.gz ZLVIOEKPDPKWJJ-UHFFFAOYSA-N 1 1 407.234 3.717 20 30 HHEDMO C[N@@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H](c2ccccc2)C1 ZINC000479196545 999321522 /nfs/dbraw/zinc/32/15/22/999321522.db2.gz XTRRVCVYNQKIDD-VNXZQDSDSA-N 1 1 418.541 3.947 20 30 HHEDMO C[N@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H](c2ccccc2)C1 ZINC000479196545 999321527 /nfs/dbraw/zinc/32/15/27/999321527.db2.gz XTRRVCVYNQKIDD-VNXZQDSDSA-N 1 1 418.541 3.947 20 30 HHEDMO N#CC1(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN(Cc2ccccc2)CC1 ZINC000479208730 999326919 /nfs/dbraw/zinc/32/69/19/999326919.db2.gz ANLQIGNWBIDFMN-UHFFFAOYSA-N 1 1 416.569 3.961 20 30 HHEDMO CC(C)Cn1ncc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1C(F)F ZINC000479212656 999328088 /nfs/dbraw/zinc/32/80/88/999328088.db2.gz IBPOPGATNGKUIO-UHFFFAOYSA-N 1 1 415.488 3.765 20 30 HHEDMO N#Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000487966168 999330489 /nfs/dbraw/zinc/33/04/89/999330489.db2.gz IBWRZNKWFRLMRR-INIZCTEOSA-N 1 1 413.319 3.964 20 30 HHEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000479323859 999385329 /nfs/dbraw/zinc/38/53/29/999385329.db2.gz ZFTDZVVIVCEBTJ-NRFANRHFSA-N 1 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C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543884348 1009459923 /nfs/dbraw/zinc/45/99/23/1009459923.db2.gz MLGIFOBOWYJUGG-LSDHHAIUSA-N 1 1 400.914 3.639 20 30 HHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000543885840 1009461790 /nfs/dbraw/zinc/46/17/90/1009461790.db2.gz YHECIKMXYCAFCU-MRXNPFEDSA-N 1 1 407.453 3.511 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H]1C ZINC000543889332 1009467479 /nfs/dbraw/zinc/46/74/79/1009467479.db2.gz UJNLOHCLHYOVMN-WMLDXEAASA-N 1 1 400.914 3.734 20 30 HHEDMO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000543909170 1009495143 /nfs/dbraw/zinc/49/51/43/1009495143.db2.gz UDRNAKQWQDDEMK-UHFFFAOYSA-N 1 1 404.942 3.511 20 30 HHEDMO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)nn1-c1cccc(C#N)c1 ZINC000544057766 1009661184 /nfs/dbraw/zinc/66/11/84/1009661184.db2.gz QFDALMLHWJCEGM-UHFFFAOYSA-N 1 1 406.515 3.528 20 30 HHEDMO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)nn1-c1cccc(C#N)c1 ZINC000544057766 1009661187 /nfs/dbraw/zinc/66/11/87/1009661187.db2.gz QFDALMLHWJCEGM-UHFFFAOYSA-N 1 1 406.515 3.528 20 30 HHEDMO CC(C)[C@]1(CO)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000550064172 1009666099 /nfs/dbraw/zinc/66/60/99/1009666099.db2.gz YFTCJLUDFIMYFM-JOCHJYFZSA-N 1 1 403.592 3.948 20 30 HHEDMO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ncccc12 ZINC000546745105 1009713205 /nfs/dbraw/zinc/71/32/05/1009713205.db2.gz JTABNSSEOGFHEF-UHFFFAOYSA-N 1 1 415.497 3.855 20 30 HHEDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2ncccc12 ZINC000546745105 1009713225 /nfs/dbraw/zinc/71/32/25/1009713225.db2.gz JTABNSSEOGFHEF-UHFFFAOYSA-N 1 1 415.497 3.855 20 30 HHEDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000544118618 1009726384 /nfs/dbraw/zinc/72/63/84/1009726384.db2.gz ZHWABBIYJMEGND-VGOFRKELSA-N 1 1 415.497 3.774 20 30 HHEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000544118618 1009726400 /nfs/dbraw/zinc/72/64/00/1009726400.db2.gz ZHWABBIYJMEGND-VGOFRKELSA-N 1 1 415.497 3.774 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544142917 1009751720 /nfs/dbraw/zinc/75/17/20/1009751720.db2.gz DLYVQMDLJNWLKT-SFHVURJKSA-N 1 1 419.447 3.529 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(N4CCCC4)c(F)c3)CC2)cc1 ZINC000520730003 1009797901 /nfs/dbraw/zinc/79/79/01/1009797901.db2.gz DFALRYPGHYACEX-UHFFFAOYSA-N 1 1 406.505 3.646 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(N4CCCC4)c(F)c3)CC2)cc1 ZINC000520730003 1009797918 /nfs/dbraw/zinc/79/79/18/1009797918.db2.gz DFALRYPGHYACEX-UHFFFAOYSA-N 1 1 406.505 3.646 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000520827530 1009887717 /nfs/dbraw/zinc/88/77/17/1009887717.db2.gz JQDCZWWRLCXZAI-LJQANCHMSA-N 1 1 408.571 3.695 20 30 HHEDMO N#Cc1cccc(N2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC2)n1 ZINC000546966444 1009922258 /nfs/dbraw/zinc/92/22/58/1009922258.db2.gz MBFCGXFAGVRVSQ-UHFFFAOYSA-N 1 1 421.508 3.523 20 30 HHEDMO N#Cc1cccc(COc2cccc(CNCC3([NH+]4CCCC4)CCOCC3)c2)c1 ZINC000520956960 1010005731 /nfs/dbraw/zinc/00/57/31/1010005731.db2.gz TWABNIJDJLXFNN-UHFFFAOYSA-N 1 1 405.542 3.872 20 30 HHEDMO C=CCOc1cccnc1-c1nc(-c2ccc(N3CC[NH+](CC)CC3)c(F)c2)no1 ZINC000544463492 1010087477 /nfs/dbraw/zinc/08/74/77/1010087477.db2.gz FYNISAPXAFGPKM-UHFFFAOYSA-N 1 1 409.465 3.644 20 30 HHEDMO N#Cc1ccc(Oc2ccc(C(=O)N3CC[NH+](CCc4ccccc4)CC3)cc2)nc1 ZINC000521103392 1010122765 /nfs/dbraw/zinc/12/27/65/1010122765.db2.gz MYRBDBFBCXURBK-UHFFFAOYSA-N 1 1 412.493 3.746 20 30 HHEDMO CC[NH+]1CCN(c2ccc(-c3noc(CCc4ccc(C#N)cc4)n3)cc2F)CC1 ZINC000544510398 1010133317 /nfs/dbraw/zinc/13/33/17/1010133317.db2.gz PGCWPPCGASAVCT-UHFFFAOYSA-N 1 1 405.477 3.674 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000550802563 1010189506 /nfs/dbraw/zinc/18/95/06/1010189506.db2.gz IHVFFNSWNRAWFX-IBGZPJMESA-N 1 1 416.447 3.647 20 30 HHEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2cc(Br)ccc2F)C2CC2)cc1 ZINC000521198804 1010226064 /nfs/dbraw/zinc/22/60/64/1010226064.db2.gz CBCCNNWTPDEFCQ-SFHVURJKSA-N 1 1 419.294 3.864 20 30 HHEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2cc(Br)ccc2F)C2CC2)cc1 ZINC000521198804 1010226073 /nfs/dbraw/zinc/22/60/73/1010226073.db2.gz CBCCNNWTPDEFCQ-SFHVURJKSA-N 1 1 419.294 3.864 20 30 HHEDMO COc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000544600360 1010226777 /nfs/dbraw/zinc/22/67/77/1010226777.db2.gz OZVDYDVQAASCEI-ZDUSSCGKSA-N 1 1 405.857 3.754 20 30 HHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000551166525 1010411383 /nfs/dbraw/zinc/41/13/83/1010411383.db2.gz OJLLZQPEVPRYID-INIZCTEOSA-N 1 1 411.999 3.544 20 30 HHEDMO C=CCN(CCc1ccccc1)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000521641320 1010518306 /nfs/dbraw/zinc/51/83/06/1010518306.db2.gz ONRYMJRSJQKHBF-OAQYLSRUSA-N 1 1 407.558 3.848 20 30 HHEDMO C=CCN(CCc1ccccc1)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000521641320 1010518317 /nfs/dbraw/zinc/51/83/17/1010518317.db2.gz ONRYMJRSJQKHBF-OAQYLSRUSA-N 1 1 407.558 3.848 20 30 HHEDMO N#Cc1cccc(OC2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000551385176 1010552554 /nfs/dbraw/zinc/55/25/54/1010552554.db2.gz GXFKIJYTIQOMQX-VWLOTQADSA-N 1 1 405.542 3.693 20 30 HHEDMO N#Cc1cccc(OC2CC[NH+](C[C@H]3CN(Cc4ccccc4)CCCO3)CC2)c1 ZINC000551385176 1010552565 /nfs/dbraw/zinc/55/25/65/1010552565.db2.gz GXFKIJYTIQOMQX-VWLOTQADSA-N 1 1 405.542 3.693 20 30 HHEDMO CCOC(=O)c1ccc(C#N)c(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000551413091 1010570298 /nfs/dbraw/zinc/57/02/98/1010570298.db2.gz DMTBKSRNIVZWLW-IBGZPJMESA-N 1 1 411.527 3.513 20 30 HHEDMO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000548851319 1010744891 /nfs/dbraw/zinc/74/48/91/1010744891.db2.gz FXYSRPZGJLYUHV-UHFFFAOYSA-N 1 1 423.586 3.642 20 30 HHEDMO N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000548883951 1010752372 /nfs/dbraw/zinc/75/23/72/1010752372.db2.gz RKKLHOFLOAYJBG-HXUWFJFHSA-N 1 1 406.505 3.517 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935640 1010769250 /nfs/dbraw/zinc/76/92/50/1010769250.db2.gz QHUXECUKGWKEAR-INIZCTEOSA-N 1 1 412.515 3.960 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935640 1010769256 /nfs/dbraw/zinc/76/92/56/1010769256.db2.gz QHUXECUKGWKEAR-INIZCTEOSA-N 1 1 412.515 3.960 20 30 HHEDMO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2F)CC1 ZINC000522182850 1010851815 /nfs/dbraw/zinc/85/18/15/1010851815.db2.gz BLVNYZYQUZCAQY-UHFFFAOYSA-N 1 1 410.493 3.879 20 30 HHEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1OC ZINC000522418495 1010995700 /nfs/dbraw/zinc/99/57/00/1010995700.db2.gz VIRKPCFNZQKOPU-JOCHJYFZSA-N 1 1 421.541 3.679 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000540826113 1011490200 /nfs/dbraw/zinc/49/02/00/1011490200.db2.gz FQBQMJRMJXORMC-QHCPKHFHSA-N 1 1 420.557 3.854 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)sc2c1CCCC2 ZINC000536347347 1011551795 /nfs/dbraw/zinc/55/17/95/1011551795.db2.gz CDVHXZRMRKFCNB-CVEARBPZSA-N 1 1 419.616 3.814 20 30 HHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540981211 1011615589 /nfs/dbraw/zinc/61/55/89/1011615589.db2.gz LUCBEVAJIZSDDQ-FUHWJXTLSA-N 1 1 418.476 3.840 20 30 HHEDMO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[NH+]1CCC(CC#N)CC1 ZINC000541018465 1011651639 /nfs/dbraw/zinc/65/16/39/1011651639.db2.gz DRCRLNLCBBFIDZ-AWEZNQCLSA-N 1 1 413.440 3.683 20 30 HHEDMO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)c(Cl)c1 ZINC000541101360 1011747689 /nfs/dbraw/zinc/74/76/89/1011747689.db2.gz OENQVQRHDKVUDT-VQIMIIECSA-N 1 1 424.936 3.878 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@H](c3nccn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000536594517 1011756627 /nfs/dbraw/zinc/75/66/27/1011756627.db2.gz LPJBATNPCONAJJ-NRFANRHFSA-N 1 1 402.498 3.869 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129161 1011786684 /nfs/dbraw/zinc/78/66/84/1011786684.db2.gz UMWDXBZBUJMJBL-QZTJIDSGSA-N 1 1 409.452 3.707 20 30 HHEDMO COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000541280307 1011972640 /nfs/dbraw/zinc/97/26/40/1011972640.db2.gz GOHVTZNFTMHJKV-OAQYLSRUSA-N 1 1 415.896 3.773 20 30 HHEDMO CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000551932511 1012028391 /nfs/dbraw/zinc/02/83/91/1012028391.db2.gz WGVJQYUKRZDQED-AWEZNQCLSA-N 1 1 411.303 3.912 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000523573325 1012117906 /nfs/dbraw/zinc/11/79/06/1012117906.db2.gz UBWZVQVKEFPYEA-MRXNPFEDSA-N 1 1 401.507 3.550 20 30 HHEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000536977115 1012275443 /nfs/dbraw/zinc/27/54/43/1012275443.db2.gz DOGCVYLJSDNCDW-DNQXCXABSA-N 1 1 418.541 3.668 20 30 HHEDMO N#Cc1ccc([C@H]([NH2+]CCOc2ccc3cc(Br)ccc3c2)C(N)=O)cc1 ZINC000523735754 1012354668 /nfs/dbraw/zinc/35/46/68/1012354668.db2.gz YZGQEAIMIDQBLA-FQEVSTJZSA-N 1 1 424.298 3.669 20 30 HHEDMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000537108809 1012480424 /nfs/dbraw/zinc/48/04/24/1012480424.db2.gz KMEHRGJFUDQJSH-ZWKOTPCHSA-N 1 1 423.536 3.517 20 30 HHEDMO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000537287708 1012743997 /nfs/dbraw/zinc/74/39/97/1012743997.db2.gz KHQIXOABHFXVAY-LJQANCHMSA-N 1 1 403.313 3.604 20 30 HHEDMO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000537287708 1012744015 /nfs/dbraw/zinc/74/40/15/1012744015.db2.gz KHQIXOABHFXVAY-LJQANCHMSA-N 1 1 403.313 3.604 20 30 HHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](CC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)C2)C1 ZINC000541949151 1012809687 /nfs/dbraw/zinc/80/96/87/1012809687.db2.gz NLUYWGDNBUFXFA-WYEJZRMESA-N 1 1 424.589 3.868 20 30 HHEDMO C[C@@H](NC(=O)NCCCCN1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542025960 1012920006 /nfs/dbraw/zinc/92/00/06/1012920006.db2.gz PHYRCQXBOVMAMF-HXUWFJFHSA-N 1 1 419.573 3.613 20 30 HHEDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542025791 1012920392 /nfs/dbraw/zinc/92/03/92/1012920392.db2.gz GEVRHVVLFSOOHN-SFHVURJKSA-N 1 1 406.877 3.706 20 30 HHEDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542025791 1012920406 /nfs/dbraw/zinc/92/04/06/1012920406.db2.gz GEVRHVVLFSOOHN-SFHVURJKSA-N 1 1 406.877 3.706 20 30 HHEDMO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1CCC#N ZINC000537513640 1013026136 /nfs/dbraw/zinc/02/61/36/1013026136.db2.gz KQHASNHOFIAQEO-KRWDZBQOSA-N 1 1 420.439 3.520 20 30 HHEDMO Cc1onc(CC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000542096427 1013027716 /nfs/dbraw/zinc/02/77/16/1013027716.db2.gz VBJZYAOCJPTJHT-PXNSSMCTSA-N 1 1 418.900 3.920 20 30 HHEDMO Cc1onc(CC(=O)N[C@H]2CC[N@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000542096427 1013027731 /nfs/dbraw/zinc/02/77/31/1013027731.db2.gz VBJZYAOCJPTJHT-PXNSSMCTSA-N 1 1 418.900 3.920 20 30 HHEDMO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nn1CCC#N ZINC000537515597 1013029140 /nfs/dbraw/zinc/02/91/40/1013029140.db2.gz POHBVARBPPTLGV-SFTDATJTSA-N 1 1 406.534 3.624 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccccc1SCc1occc1C(=O)OC ZINC000729811826 1072121217 /nfs/dbraw/zinc/12/12/17/1072121217.db2.gz CZGCHZPXSVZPBK-INIZCTEOSA-N 1 1 413.495 3.613 20 30 HHEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000729809735 1072126696 /nfs/dbraw/zinc/12/66/96/1072126696.db2.gz ONTOYMPJPCPNIC-HNNXBMFYSA-N 1 1 417.512 3.765 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000729809735 1072126699 /nfs/dbraw/zinc/12/66/99/1072126699.db2.gz ONTOYMPJPCPNIC-HNNXBMFYSA-N 1 1 417.512 3.765 20 30 HHEDMO Cc1ccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(N2CCCC2)[nH+]1 ZINC000611582686 1072139509 /nfs/dbraw/zinc/13/95/09/1072139509.db2.gz RNZQJOYDRJHRAF-UHFFFAOYSA-N 1 1 401.514 3.861 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000488248297 1072164004 /nfs/dbraw/zinc/16/40/04/1072164004.db2.gz HRPYWYJAPPXYSX-AWEZNQCLSA-N 1 1 400.523 3.728 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000488248297 1072164009 /nfs/dbraw/zinc/16/40/09/1072164009.db2.gz HRPYWYJAPPXYSX-AWEZNQCLSA-N 1 1 400.523 3.728 20 30 HHEDMO Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001625983320 1072216558 /nfs/dbraw/zinc/21/65/58/1072216558.db2.gz XWHFSLRJAMLDFD-NHCUHLMSSA-N 1 1 415.459 3.897 20 30 HHEDMO Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001625983320 1072216573 /nfs/dbraw/zinc/21/65/73/1072216573.db2.gz XWHFSLRJAMLDFD-NHCUHLMSSA-N 1 1 415.459 3.897 20 30 HHEDMO COC(=O)[C@H](N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccc(C#N)c1 ZINC000612051716 1072219631 /nfs/dbraw/zinc/21/96/31/1072219631.db2.gz JURSPHRVMDXGBO-CJRSTVEYSA-N 1 1 403.526 3.663 20 30 HHEDMO Cc1ccc(N2CCC(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)CC2)[nH+]c1 ZINC000586828842 1072468047 /nfs/dbraw/zinc/46/80/47/1072468047.db2.gz YPMMRDKTHPZOQR-UHFFFAOYSA-N 1 1 422.504 3.687 20 30 HHEDMO C=CCCCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001212111405 1072480494 /nfs/dbraw/zinc/48/04/94/1072480494.db2.gz ZJCVVFYONVHDJD-FCHUYYIVSA-N 1 1 402.535 3.679 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000587992454 1072734399 /nfs/dbraw/zinc/73/43/99/1072734399.db2.gz LSZRBEDENBUUBU-AOYPEHQESA-N 1 1 414.553 3.652 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c(OC)c1 ZINC000571962956 1072957156 /nfs/dbraw/zinc/95/71/56/1072957156.db2.gz JUDURSZVFIXTLN-HXUWFJFHSA-N 1 1 409.526 3.719 20 30 HHEDMO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000588666762 1073083551 /nfs/dbraw/zinc/08/35/51/1073083551.db2.gz WVEGAVJSIGFICU-NOZRDPDXSA-N 1 1 400.526 3.853 20 30 HHEDMO N#CC1(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN(Cc2ccccc2)CC1 ZINC000555078086 1073122331 /nfs/dbraw/zinc/12/23/31/1073122331.db2.gz FKYZCZVLWHMKLL-UHFFFAOYSA-N 1 1 402.542 3.571 20 30 HHEDMO CCn1c(Cc2ccccc2Cl)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000555080765 1073124773 /nfs/dbraw/zinc/12/47/73/1073124773.db2.gz NQJROXKIDPJKSS-UHFFFAOYSA-N 1 1 420.948 3.736 20 30 HHEDMO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000572138415 1073201197 /nfs/dbraw/zinc/20/11/97/1073201197.db2.gz TVMCDOJFJDEGOY-WIYYLYMNSA-N 1 1 422.533 3.883 20 30 HHEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCc1cccc(C#N)c1 ZINC000572317715 1073236495 /nfs/dbraw/zinc/23/64/95/1073236495.db2.gz IMHKBSTXBRAYPQ-UHFFFAOYSA-N 1 1 402.498 3.825 20 30 HHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCc1cccc(C#N)c1 ZINC000572317715 1073236496 /nfs/dbraw/zinc/23/64/96/1073236496.db2.gz IMHKBSTXBRAYPQ-UHFFFAOYSA-N 1 1 402.498 3.825 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000555271617 1073290759 /nfs/dbraw/zinc/29/07/59/1073290759.db2.gz CMMFHUNIKWZQPJ-GOSISDBHSA-N 1 1 413.566 3.707 20 30 HHEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1OCc1ccccc1 ZINC000588965337 1073361810 /nfs/dbraw/zinc/36/18/10/1073361810.db2.gz MFFRXMCCCCJANR-GOSISDBHSA-N 1 1 421.522 3.657 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@@H]4C[N@@H+](C)C[C@H]43)sc2C1 ZINC000590010638 1073449180 /nfs/dbraw/zinc/44/91/80/1073449180.db2.gz RFPZIQRMBSCZDI-GPMSIDNRSA-N 1 1 414.619 3.735 20 30 HHEDMO CC(C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1Cc1cccs1 ZINC000555434420 1073466867 /nfs/dbraw/zinc/46/68/67/1073466867.db2.gz OSEXQEDTJHXBAJ-UHFFFAOYSA-N 1 1 406.559 3.705 20 30 HHEDMO C=CCn1c2nnc(S[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c2ccccc2c1=O ZINC000555468487 1073534959 /nfs/dbraw/zinc/53/49/59/1073534959.db2.gz AHGRJTQCRDQKAF-SFHVURJKSA-N 1 1 417.538 3.597 20 30 HHEDMO CCN(CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1Cl ZINC000555553985 1073620998 /nfs/dbraw/zinc/62/09/98/1073620998.db2.gz VUDPOHRRCNYQCC-UHFFFAOYSA-N 1 1 424.976 3.768 20 30 HHEDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000590386577 1073749222 /nfs/dbraw/zinc/74/92/22/1073749222.db2.gz BIDRFIUTJKASSE-SFHVURJKSA-N 1 1 405.498 3.676 20 30 HHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000555871760 1073916309 /nfs/dbraw/zinc/91/63/09/1073916309.db2.gz AKISOKZBFJNLFB-WBVHZDCISA-N 1 1 424.570 3.807 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000555992471 1074022865 /nfs/dbraw/zinc/02/28/65/1074022865.db2.gz RENDTYBHCNLCOV-FQEVSTJZSA-N 1 1 423.557 3.528 20 30 HHEDMO COc1cc(OC)c(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000591558659 1074407388 /nfs/dbraw/zinc/40/73/88/1074407388.db2.gz BQRTXSRKEAOLPK-INIZCTEOSA-N 1 1 423.513 3.791 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(C3(C)OCCO3)CC2)c1C#N ZINC000760898595 1074613979 /nfs/dbraw/zinc/61/39/79/1074613979.db2.gz JAERADGZCDKQJQ-UHFFFAOYSA-N 1 1 414.550 3.505 20 30 HHEDMO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)c2cc1C(C)C ZINC000760912442 1074623161 /nfs/dbraw/zinc/62/31/61/1074623161.db2.gz YYOXFHQCBHHSJV-UHFFFAOYSA-N 1 1 402.498 3.814 20 30 HHEDMO C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1=CC[N@@H+](C)CC1 ZINC000573825845 1074651591 /nfs/dbraw/zinc/65/15/91/1074651591.db2.gz UQCZNHQMTZLZLG-MRXNPFEDSA-N 1 1 400.954 3.585 20 30 HHEDMO COc1ccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000573988231 1074749283 /nfs/dbraw/zinc/74/92/83/1074749283.db2.gz CFWGQXRKGXXBIA-GERBCZOESA-N 1 1 413.562 3.893 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)C2)c1C#N ZINC000761047633 1075260017 /nfs/dbraw/zinc/26/00/17/1075260017.db2.gz WHYPKRRNJNGIQH-HNNXBMFYSA-N 1 1 408.424 3.831 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)C2)c1C#N ZINC000761047637 1075260087 /nfs/dbraw/zinc/26/00/87/1075260087.db2.gz WHYPKRRNJNGIQH-OAHLLOKOSA-N 1 1 408.424 3.831 20 30 HHEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C#N)cc(Cl)n1)CC2 ZINC001164709568 720093351 /nfs/dbraw/zinc/09/33/51/720093351.db2.gz ATAVMRVAPGQGGL-LJQANCHMSA-N 1 1 411.937 3.509 20 30 HHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C(C)C)ccc3C#N)C2)C1 ZINC001164777353 721337106 /nfs/dbraw/zinc/33/71/06/721337106.db2.gz MFPLRGBBFVJNEZ-XMMPIXPASA-N 1 1 423.561 3.801 20 30 HHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C(C)C)ccc3C#N)C2)C1 ZINC001164777353 721337110 /nfs/dbraw/zinc/33/71/10/721337110.db2.gz MFPLRGBBFVJNEZ-XMMPIXPASA-N 1 1 423.561 3.801 20 30 HHEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164780446 721438487 /nfs/dbraw/zinc/43/84/87/721438487.db2.gz AHZQHLAOERSLAL-STQMWFEESA-N 1 1 413.909 3.924 20 30 HHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C#C[Si](C)(C)C)[C@H]2CCCO[C@@H]12 ZINC001164804685 721565530 /nfs/dbraw/zinc/56/55/30/721565530.db2.gz MCPQIPYPJFTFHR-YTFSRNRJSA-N 1 1 420.633 3.574 20 30 HHEDMO N#Cc1cc2c(nc1N1CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C1)CCCC2 ZINC001164908198 721724864 /nfs/dbraw/zinc/72/48/64/721724864.db2.gz WKINGTPMUDYSLC-HSZRJFAPSA-N 1 1 423.511 3.965 20 30 HHEDMO N#CCc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164909676 721732015 /nfs/dbraw/zinc/73/20/15/721732015.db2.gz CTBVAIRUFXEQTI-HXUWFJFHSA-N 1 1 417.891 3.934 20 30 HHEDMO N#CCc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164909672 721732035 /nfs/dbraw/zinc/73/20/35/721732035.db2.gz CTBVAIRUFXEQTI-FQEVSTJZSA-N 1 1 417.891 3.934 20 30 HHEDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934311 721891006 /nfs/dbraw/zinc/89/10/06/721891006.db2.gz OSAVIURLXCTIRQ-DLBZAZTESA-N 1 1 404.345 3.628 20 30 HHEDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934311 721891007 /nfs/dbraw/zinc/89/10/07/721891007.db2.gz OSAVIURLXCTIRQ-DLBZAZTESA-N 1 1 404.345 3.628 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)cc1 ZINC000302041929 971159137 /nfs/dbraw/zinc/15/91/37/971159137.db2.gz IOFBYAZPMRLDKU-UHFFFAOYSA-N 1 1 402.401 3.780 20 30 HHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000553116516 1013079147 /nfs/dbraw/zinc/07/91/47/1013079147.db2.gz ZJHPYBBCQKKMPR-QHCPKHFHSA-N 1 1 410.562 3.660 20 30 HHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000553116516 1013079156 /nfs/dbraw/zinc/07/91/56/1013079156.db2.gz ZJHPYBBCQKKMPR-QHCPKHFHSA-N 1 1 410.562 3.660 20 30 HHEDMO COc1ccccc1C[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000303282412 971597292 /nfs/dbraw/zinc/59/72/92/971597292.db2.gz IYLXURYOKPTOIG-FQEVSTJZSA-N 1 1 405.542 3.870 20 30 HHEDMO CCCC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H](CC)c1ccccc1 ZINC000303596861 971888197 /nfs/dbraw/zinc/88/81/97/971888197.db2.gz JFLBDCKHQPOPMX-QFIPXVFZSA-N 1 1 423.561 3.757 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1 ZINC000303737026 971990257 /nfs/dbraw/zinc/99/02/57/971990257.db2.gz XPVCDULBTOJGGS-UHFFFAOYSA-N 1 1 424.545 3.793 20 30 HHEDMO COc1ccc(NC(=[NH2+])NCCCN2CCN(c3cccc(C)c3)CC2)cc1Cl ZINC000303907135 972478085 /nfs/dbraw/zinc/47/80/85/972478085.db2.gz WNDBTUZCZMXQAU-UHFFFAOYSA-N 1 1 415.969 3.596 20 30 HHEDMO N#Cc1ccc(C[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C2CC2)cc1 ZINC000542246626 1013204703 /nfs/dbraw/zinc/20/47/03/1013204703.db2.gz BMVVNXRVNZSDML-UHFFFAOYSA-N 1 1 405.395 3.997 20 30 HHEDMO N#Cc1ccc(C[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C2CC2)cc1 ZINC000542246626 1013204711 /nfs/dbraw/zinc/20/47/11/1013204711.db2.gz BMVVNXRVNZSDML-UHFFFAOYSA-N 1 1 405.395 3.997 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000553253360 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401.457 3.876 20 30 HHEDMO COc1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000022850465 963728449 /nfs/dbraw/zinc/72/84/49/963728449.db2.gz JGLTUWRNFHCZAP-UHFFFAOYSA-N 1 1 401.457 3.876 20 30 HHEDMO COCc1c2ccccc2oc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023752271 963884651 /nfs/dbraw/zinc/88/46/51/963884651.db2.gz LCYJSELNMNZRCL-UHFFFAOYSA-N 1 1 403.482 3.799 20 30 HHEDMO COCc1c2ccccc2oc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023752271 963884655 /nfs/dbraw/zinc/88/46/55/963884655.db2.gz LCYJSELNMNZRCL-UHFFFAOYSA-N 1 1 403.482 3.799 20 30 HHEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000025867653 964377967 /nfs/dbraw/zinc/37/79/67/964377967.db2.gz HSPAUZAVJOOGBJ-MOPGFXCFSA-N 1 1 407.539 3.982 20 30 HHEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000051050612 964449977 /nfs/dbraw/zinc/44/99/77/964449977.db2.gz DPGOVDHBHGIYKA-TZIWHRDSSA-N 1 1 412.578 3.567 20 30 HHEDMO 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ZINC000110914040 969740392 /nfs/dbraw/zinc/74/03/92/969740392.db2.gz BEQXYOOVKBVNKA-DEOSSOPVSA-N 1 1 402.542 3.508 20 30 HHEDMO N#Cc1ccccc1Oc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000112681612 969824334 /nfs/dbraw/zinc/82/43/34/969824334.db2.gz WZLIUYMASUCCST-HXUWFJFHSA-N 1 1 408.502 3.709 20 30 HHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000116862157 969926340 /nfs/dbraw/zinc/92/63/40/969926340.db2.gz LGUCIGLOXLLZCD-GOSISDBHSA-N 1 1 411.531 3.625 20 30 HHEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000554415305 1013939942 /nfs/dbraw/zinc/93/99/42/1013939942.db2.gz UTLSRGQJHLCOIA-UHFFFAOYSA-N 1 1 415.559 3.931 20 30 HHEDMO C=CCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000140330243 970073178 /nfs/dbraw/zinc/07/31/78/970073178.db2.gz JNRKLTXQOKQDMT-UHFFFAOYSA-N 1 1 412.505 3.920 20 30 HHEDMO C=CCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000140330243 970073188 /nfs/dbraw/zinc/07/31/88/970073188.db2.gz 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N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)ccc1C(F)(F)F ZINC000410329211 973894880 /nfs/dbraw/zinc/89/48/80/973894880.db2.gz GQJKOOXKHKSKLG-INIZCTEOSA-N 1 1 421.444 3.750 20 30 HHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000410394630 973993022 /nfs/dbraw/zinc/99/30/22/973993022.db2.gz CNIWBLOORVRRAQ-GOSISDBHSA-N 1 1 403.954 3.516 20 30 HHEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[N@H+]1CCCC[C@H]1C ZINC000425940240 974050133 /nfs/dbraw/zinc/05/01/33/974050133.db2.gz ASKPBEOSEPMBHP-MSOLQXFVSA-N 1 1 420.513 3.668 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000426111177 974234715 /nfs/dbraw/zinc/23/47/15/974234715.db2.gz HUTAKLDZBNRQDY-REWPJTCUSA-N 1 1 409.530 3.646 20 30 HHEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)sc2C1 ZINC000426432760 974445978 /nfs/dbraw/zinc/44/59/78/974445978.db2.gz IIXYWXXPBJJSMW-SCLBCKFNSA-N 1 1 418.607 3.589 20 30 HHEDMO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000426464647 974466604 /nfs/dbraw/zinc/46/66/04/974466604.db2.gz ZUAKFVDXNBRQIR-QHCPKHFHSA-N 1 1 412.509 3.528 20 30 HHEDMO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000426464647 974466606 /nfs/dbraw/zinc/46/66/06/974466606.db2.gz ZUAKFVDXNBRQIR-QHCPKHFHSA-N 1 1 412.509 3.528 20 30 HHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674688 974594651 /nfs/dbraw/zinc/59/46/51/974594651.db2.gz LRKPADLNVGFPLX-MSOLQXFVSA-N 1 1 420.513 3.526 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000426788304 974660238 /nfs/dbraw/zinc/66/02/38/974660238.db2.gz LYXUUNTZEKFYQU-BEFAXECRSA-N 1 1 405.926 3.589 20 30 HHEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000427033062 974843455 /nfs/dbraw/zinc/84/34/55/974843455.db2.gz GPYHYLIJPJODMD-UHFFFAOYSA-N 1 1 413.441 3.534 20 30 HHEDMO C=CC[C@@H](C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)c1ccccc1 ZINC000427118006 974918597 /nfs/dbraw/zinc/91/85/97/974918597.db2.gz RUPHKQWMDQTABC-HXUWFJFHSA-N 1 1 404.514 3.736 20 30 HHEDMO C[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000428207509 975531044 /nfs/dbraw/zinc/53/10/44/975531044.db2.gz NNXFRVOPWUUYRX-LJQANCHMSA-N 1 1 413.525 3.640 20 30 HHEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000428681765 975974020 /nfs/dbraw/zinc/97/40/20/975974020.db2.gz HDTYFTSHHCQUBR-LJQANCHMSA-N 1 1 411.575 3.854 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)nc1 ZINC000428786590 976061631 /nfs/dbraw/zinc/06/16/31/976061631.db2.gz OBJCTZPMIYHXDX-HNNXBMFYSA-N 1 1 405.285 3.742 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C2)nc1 ZINC000428793616 976069792 /nfs/dbraw/zinc/06/97/92/976069792.db2.gz ZPLCBHZMAFGGIZ-JOCHJYFZSA-N 1 1 424.504 3.870 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C2)nc1 ZINC000428793616 976069806 /nfs/dbraw/zinc/06/98/06/976069806.db2.gz ZPLCBHZMAFGGIZ-JOCHJYFZSA-N 1 1 424.504 3.870 20 30 HHEDMO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000428795337 976071222 /nfs/dbraw/zinc/07/12/22/976071222.db2.gz RAUKETFEELOVOC-XJKSGUPXSA-N 1 1 419.312 3.591 20 30 HHEDMO C[C@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000428795337 976071238 /nfs/dbraw/zinc/07/12/38/976071238.db2.gz RAUKETFEELOVOC-XJKSGUPXSA-N 1 1 419.312 3.591 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1Cl ZINC000428992285 976272489 /nfs/dbraw/zinc/27/24/89/976272489.db2.gz JZUFIKLGFQIGGM-HGHGUNKESA-N 1 1 402.970 3.557 20 30 HHEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c(OC(F)F)c1 ZINC000429013170 976294235 /nfs/dbraw/zinc/29/42/35/976294235.db2.gz UTYHZAGBZYOCNW-HNNXBMFYSA-N 1 1 415.209 3.884 20 30 HHEDMO C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000429094222 976379350 /nfs/dbraw/zinc/37/93/50/976379350.db2.gz PLRWZNYEPAWYPO-UYAOXDASSA-N 1 1 405.546 3.847 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429383265 976656858 /nfs/dbraw/zinc/65/68/58/976656858.db2.gz JWWAMSRLYQBSDH-QZTJIDSGSA-N 1 1 400.592 3.826 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000429386034 976659253 /nfs/dbraw/zinc/65/92/53/976659253.db2.gz ORTHGJCWMSDOAY-MSOLQXFVSA-N 1 1 400.592 3.683 20 30 HHEDMO N#CCCn1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1-c1ccccc1 ZINC000429722597 977013805 /nfs/dbraw/zinc/01/38/05/977013805.db2.gz STQRLOHRKOTJRQ-QFIPXVFZSA-N 1 1 413.525 3.858 20 30 HHEDMO C=CCN1C(=O)N([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000430931379 977896026 /nfs/dbraw/zinc/89/60/26/977896026.db2.gz COCUOFFVHSFZDA-DHIUTWEWSA-N 1 1 403.526 3.713 20 30 HHEDMO C=CCN1C(=O)N(C[C@@H]2CCC[N@H+]2Cc2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431265066 978150774 /nfs/dbraw/zinc/15/07/74/978150774.db2.gz GNMUHVSNUHUCBG-XZOQPEGZSA-N 1 1 403.526 3.713 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3c[nH]c4cccc(Cl)c34)CC2)cc1 ZINC000431681295 978432527 /nfs/dbraw/zinc/43/25/27/978432527.db2.gz XUNUUGIVORXDMC-UHFFFAOYSA-N 1 1 406.917 3.970 20 30 HHEDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)C1 ZINC000432676792 978933014 /nfs/dbraw/zinc/93/30/14/978933014.db2.gz HRBRYLBCQQTLII-XMMPIXPASA-N 1 1 404.514 3.891 20 30 HHEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000433244075 979175000 /nfs/dbraw/zinc/17/50/00/979175000.db2.gz GZCPJLHMTUWFRI-UHFFFAOYSA-N 1 1 408.502 3.925 20 30 HHEDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000433244075 979175005 /nfs/dbraw/zinc/17/50/05/979175005.db2.gz GZCPJLHMTUWFRI-UHFFFAOYSA-N 1 1 408.502 3.925 20 30 HHEDMO Cn1c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)nc2cccc(Cl)c21 ZINC000433328944 979241058 /nfs/dbraw/zinc/24/10/58/979241058.db2.gz FHADRNYUHWNQNW-UHFFFAOYSA-N 1 1 405.893 3.689 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000434111180 979864843 /nfs/dbraw/zinc/86/48/43/979864843.db2.gz JZGXWERAMRGLIA-ZDUSSCGKSA-N 1 1 400.891 3.745 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000434693552 980344454 /nfs/dbraw/zinc/34/44/54/980344454.db2.gz GIDAEWMJTPWBRO-WOJBJXKFSA-N 1 1 420.561 3.519 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000434693552 980344459 /nfs/dbraw/zinc/34/44/59/980344459.db2.gz GIDAEWMJTPWBRO-WOJBJXKFSA-N 1 1 420.561 3.519 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000434693550 980344711 /nfs/dbraw/zinc/34/47/11/980344711.db2.gz GIDAEWMJTPWBRO-UXHICEINSA-N 1 1 420.561 3.519 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000434693550 980344716 /nfs/dbraw/zinc/34/47/16/980344716.db2.gz GIDAEWMJTPWBRO-UXHICEINSA-N 1 1 420.561 3.519 20 30 HHEDMO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1COc2ccccc2O1 ZINC000434834891 980431895 /nfs/dbraw/zinc/43/18/95/980431895.db2.gz WGKJPBASJIUGRO-HXUWFJFHSA-N 1 1 403.486 3.521 20 30 HHEDMO N#Cc1cccc(C2(C(=O)NCCC[NH+]3CCN(c4ccccc4Cl)CC3)CC2)c1 ZINC000434999683 980560325 /nfs/dbraw/zinc/56/03/25/980560325.db2.gz MUAHSQZFZCEXAQ-UHFFFAOYSA-N 1 1 422.960 3.572 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1)CC(F)(F)F ZINC000435129836 980661496 /nfs/dbraw/zinc/66/14/96/980661496.db2.gz OLEMBHZJRMQFAY-QGZVFWFLSA-N 1 1 420.483 3.565 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131001 980662455 /nfs/dbraw/zinc/66/24/55/980662455.db2.gz AHQSRNZQKAPAFA-NHCUHLMSSA-N 1 1 406.578 3.945 20 30 HHEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccco1 ZINC000435156864 980685839 /nfs/dbraw/zinc/68/58/39/980685839.db2.gz ZTASIAIYNUMYKA-INIZCTEOSA-N 1 1 415.437 3.531 20 30 HHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000435158839 980687266 /nfs/dbraw/zinc/68/72/66/980687266.db2.gz WJWVXNJPYFITEU-LZWOXQAQSA-N 1 1 415.481 3.603 20 30 HHEDMO N#Cc1ccc(SCC(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000435380404 980828317 /nfs/dbraw/zinc/82/83/17/980828317.db2.gz RBTZVOZTFFLGND-HXUWFJFHSA-N 1 1 417.538 3.933 20 30 HHEDMO C=CCC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000435760654 981019368 /nfs/dbraw/zinc/01/93/68/981019368.db2.gz LOOMVMIRNRRMKE-KMDXXIMOSA-N 1 1 407.558 3.876 20 30 HHEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C#N)c2ccccc2F)C1 ZINC000436022268 981162315 /nfs/dbraw/zinc/16/23/15/981162315.db2.gz LUDFUKSCVUEAJG-OAQYLSRUSA-N 1 1 404.489 3.928 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436373676 981333780 /nfs/dbraw/zinc/33/37/80/981333780.db2.gz TUEGEKISMLJSDT-FUDKSRODSA-N 1 1 423.561 3.741 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000436373686 981333816 /nfs/dbraw/zinc/33/38/16/981333816.db2.gz TUEGEKISMLJSDT-XPNTWCBSSA-N 1 1 423.561 3.741 20 30 HHEDMO N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000448196435 981608235 /nfs/dbraw/zinc/60/82/35/981608235.db2.gz KNBWJVLEBWMSOV-AVRDEDQJSA-N 1 1 405.498 3.819 20 30 HHEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448223556 981638081 /nfs/dbraw/zinc/63/80/81/981638081.db2.gz OQKGVFSSUBZHOD-FXAWDEMLSA-N 1 1 405.464 3.715 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@@H](Oc3ccncc3)C1)CCCCC2 ZINC000448519020 981845506 /nfs/dbraw/zinc/84/55/06/981845506.db2.gz BMLBFBIFNPQLEA-QGZVFWFLSA-N 1 1 410.543 3.766 20 30 HHEDMO CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437341481 981991708 /nfs/dbraw/zinc/99/17/08/981991708.db2.gz MNTGNSSBQBYSHR-QFIPXVFZSA-N 1 1 418.541 3.708 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c(OC(F)F)c1 ZINC000437401384 982045115 /nfs/dbraw/zinc/04/51/15/982045115.db2.gz XTHPFHYHAOCHHF-UHFFFAOYSA-N 1 1 400.429 3.946 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(OC(F)F)c1 ZINC000437422200 982062247 /nfs/dbraw/zinc/06/22/47/982062247.db2.gz ZMDRGINEIPABOJ-KRWDZBQOSA-N 1 1 401.461 3.857 20 30 HHEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460287442 982063414 /nfs/dbraw/zinc/06/34/14/982063414.db2.gz YLNSJMBYPGJLSG-UHFFFAOYSA-N 1 1 401.518 3.753 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1C ZINC000437503851 982130110 /nfs/dbraw/zinc/13/01/10/982130110.db2.gz FTFABLJMVNGWLE-QHCPKHFHSA-N 1 1 405.542 3.884 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c1C ZINC000437503851 982130113 /nfs/dbraw/zinc/13/01/13/982130113.db2.gz FTFABLJMVNGWLE-QHCPKHFHSA-N 1 1 405.542 3.884 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460370960 982148256 /nfs/dbraw/zinc/14/82/56/982148256.db2.gz SJTMAMBDKRBSTR-UHFFFAOYSA-N 1 1 410.385 3.877 20 30 HHEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460371624 982148939 /nfs/dbraw/zinc/14/89/39/982148939.db2.gz PFNFWGUFWNKWCT-OAQYLSRUSA-N 1 1 405.546 3.943 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)sc2c1CCC2 ZINC000437533801 982161408 /nfs/dbraw/zinc/16/14/08/982161408.db2.gz FXZJCKWLAUZYAU-GOSISDBHSA-N 1 1 409.555 3.771 20 30 HHEDMO COc1ccc([C@H](CNS(=O)(=O)CC2(C#N)CCCCC2)[NH+]2CCCCC2)cc1 ZINC000460469939 982263746 /nfs/dbraw/zinc/26/37/46/982263746.db2.gz MJFUCMFNCWYAKX-NRFANRHFSA-N 1 1 419.591 3.616 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460555314 982341703 /nfs/dbraw/zinc/34/17/03/982341703.db2.gz SYXDMJACKFFISJ-MOPGFXCFSA-N 1 1 413.566 3.751 20 30 HHEDMO C=C(C)Cn1c(COCC)nnc1N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000460557066 982342912 /nfs/dbraw/zinc/34/29/12/982342912.db2.gz IBMJQAYJVCSOFM-LJQANCHMSA-N 1 1 413.566 3.500 20 30 HHEDMO C=C(C)Cn1c(COCC)nnc1N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000460557066 982342918 /nfs/dbraw/zinc/34/29/18/982342918.db2.gz IBMJQAYJVCSOFM-LJQANCHMSA-N 1 1 413.566 3.500 20 30 HHEDMO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000460562798 982348391 /nfs/dbraw/zinc/34/83/91/982348391.db2.gz IGOFFYGDOCJNDM-GOTSBHOMSA-N 1 1 422.621 3.612 20 30 HHEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460580477 982364852 /nfs/dbraw/zinc/36/48/52/982364852.db2.gz WFSCKUQNFPIVQU-WMLDXEAASA-N 1 1 421.387 3.778 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)[C@@H](C)C1 ZINC000460631929 982409134 /nfs/dbraw/zinc/40/91/34/982409134.db2.gz UFXUSQKUMRLDNE-RXVVDRJESA-N 1 1 410.566 3.551 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)Cc2cccc(C)n2)c1C#N ZINC000437895352 982445129 /nfs/dbraw/zinc/44/51/29/982445129.db2.gz ISXQEHLIRVLITK-UHFFFAOYSA-N 1 1 405.502 3.782 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000437899975 982448959 /nfs/dbraw/zinc/44/89/59/982448959.db2.gz WHEWTZRTFHXBDR-FQEVSTJZSA-N 1 1 406.530 3.588 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460800357 982552472 /nfs/dbraw/zinc/55/24/72/982552472.db2.gz DGQSDYPMHQKIAL-UHFFFAOYSA-N 1 1 420.561 3.760 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000438073243 982572089 /nfs/dbraw/zinc/57/20/89/982572089.db2.gz KSUSVTHCCBYDOM-AFARHQOCSA-N 1 1 406.505 3.861 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460952001 982685611 /nfs/dbraw/zinc/68/56/11/982685611.db2.gz NLVNOUHWPDNPPH-OALUTQOASA-N 1 1 413.566 3.751 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000438627804 982948177 /nfs/dbraw/zinc/94/81/77/982948177.db2.gz BHTARRMFHDGUQM-RDTXWAMCSA-N 1 1 412.456 3.836 20 30 HHEDMO N#Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1C(F)(F)F ZINC000438644033 982962171 /nfs/dbraw/zinc/96/21/71/982962171.db2.gz VMZATEZEUSEJIZ-UHFFFAOYSA-N 1 1 402.420 3.969 20 30 HHEDMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)cc(OC)c1 ZINC000438858963 983125080 /nfs/dbraw/zinc/12/50/80/983125080.db2.gz OSYYWMKLCFHAAK-OFNKIYASSA-N 1 1 422.529 3.622 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)cc(OC)c1 ZINC000438858963 983125086 /nfs/dbraw/zinc/12/50/86/983125086.db2.gz OSYYWMKLCFHAAK-OFNKIYASSA-N 1 1 422.529 3.622 20 30 HHEDMO CCCc1c(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439669255 983493456 /nfs/dbraw/zinc/49/34/56/983493456.db2.gz WJAUOMUDNWAIIO-QZTJIDSGSA-N 1 1 408.550 3.938 20 30 HHEDMO CCn1ncc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C(F)(F)F ZINC000439938288 983588493 /nfs/dbraw/zinc/58/84/93/983588493.db2.gz ZZJHLQQWJQWWPV-UHFFFAOYSA-N 1 1 420.439 3.533 20 30 HHEDMO CCn1ncc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C(F)(F)F ZINC000439938288 983588495 /nfs/dbraw/zinc/58/84/95/983588495.db2.gz ZZJHLQQWJQWWPV-UHFFFAOYSA-N 1 1 420.439 3.533 20 30 HHEDMO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000440040907 983622276 /nfs/dbraw/zinc/62/22/76/983622276.db2.gz XVJVWQBFLCMFHA-OXJNMPFZSA-N 1 1 424.932 3.662 20 30 HHEDMO CCC[C@@H]1CN(CCOc2ccc(C#N)cc2)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000440567302 983798358 /nfs/dbraw/zinc/79/83/58/983798358.db2.gz WGUQQJYLFWGPNF-HSZRJFAPSA-N 1 1 418.541 3.674 20 30 HHEDMO CCC[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCN1CCOc1ccc(C#N)cc1 ZINC000440567302 983798360 /nfs/dbraw/zinc/79/83/60/983798360.db2.gz WGUQQJYLFWGPNF-HSZRJFAPSA-N 1 1 418.541 3.674 20 30 HHEDMO CCC[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCN1CCOc1ccc(C#N)cc1 ZINC000440567302 983798365 /nfs/dbraw/zinc/79/83/65/983798365.db2.gz WGUQQJYLFWGPNF-HSZRJFAPSA-N 1 1 418.541 3.674 20 30 HHEDMO C=CCN(C(=O)C[N@H+](C)CCCO)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000440946025 983992963 /nfs/dbraw/zinc/99/29/63/983992963.db2.gz SGVMTKXIFGYFSQ-UHFFFAOYSA-N 1 1 414.358 3.950 20 30 HHEDMO C=CCN(C(=O)C[N@@H+](C)CCCO)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000440946025 983992967 /nfs/dbraw/zinc/99/29/67/983992967.db2.gz SGVMTKXIFGYFSQ-UHFFFAOYSA-N 1 1 414.358 3.950 20 30 HHEDMO COc1cc(OC)cc(OCCC[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000441176509 984101828 /nfs/dbraw/zinc/10/18/28/984101828.db2.gz PZVCKQGDYIFNCY-UHFFFAOYSA-N 1 1 408.458 3.526 20 30 HHEDMO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000441176509 984101830 /nfs/dbraw/zinc/10/18/30/984101830.db2.gz PZVCKQGDYIFNCY-UHFFFAOYSA-N 1 1 408.458 3.526 20 30 HHEDMO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441315932 984177184 /nfs/dbraw/zinc/17/71/84/984177184.db2.gz DCVDFDUBSCJLMJ-MRXNPFEDSA-N 1 1 410.547 3.837 20 30 HHEDMO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441315932 984177189 /nfs/dbraw/zinc/17/71/89/984177189.db2.gz DCVDFDUBSCJLMJ-MRXNPFEDSA-N 1 1 410.547 3.837 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000441354352 984203551 /nfs/dbraw/zinc/20/35/51/984203551.db2.gz MXMIBPCMFCCRLA-PZJWPPBQSA-N 1 1 409.505 4.000 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000441354347 984203756 /nfs/dbraw/zinc/20/37/56/984203756.db2.gz MXMIBPCMFCCRLA-FPOVZHCZSA-N 1 1 409.505 4.000 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441399347 984230712 /nfs/dbraw/zinc/23/07/12/984230712.db2.gz DTAGRPOSXLQDHA-DBXWQHBBSA-N 1 1 412.603 3.826 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000441693550 984399721 /nfs/dbraw/zinc/39/97/21/984399721.db2.gz UYQFPOAWZRJKIX-ZDUSSCGKSA-N 1 1 407.861 3.522 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c1 ZINC000441766963 984440168 /nfs/dbraw/zinc/44/01/68/984440168.db2.gz OGYUSSLQDMMTNV-GOSISDBHSA-N 1 1 423.513 3.549 20 30 HHEDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)c1 ZINC000442088195 984629617 /nfs/dbraw/zinc/62/96/17/984629617.db2.gz ZLYAOXGKUSNJQX-UHFFFAOYSA-N 1 1 405.380 3.514 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C ZINC000462449489 985413916 /nfs/dbraw/zinc/41/39/16/985413916.db2.gz VWWQHCXDWFIRDR-FQEVSTJZSA-N 1 1 410.587 3.990 20 30 HHEDMO C[C@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000462469134 985427567 /nfs/dbraw/zinc/42/75/67/985427567.db2.gz QLVNDJJDVNCNHL-OAHLLOKOSA-N 1 1 414.600 3.877 20 30 HHEDMO CC[N@@H+](CCC1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1)CC(C)C ZINC000462479101 985436169 /nfs/dbraw/zinc/43/61/69/985436169.db2.gz KZCRXSWTYUSIDR-UHFFFAOYSA-N 1 1 400.567 3.856 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000462807403 985738806 /nfs/dbraw/zinc/73/88/06/985738806.db2.gz AYKMQOXFIHZJLH-BTYIYWSLSA-N 1 1 406.555 3.803 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463017919 985974974 /nfs/dbraw/zinc/97/49/74/985974974.db2.gz YFUDWWKDUDBJPG-YADARESESA-N 1 1 418.541 3.632 20 30 HHEDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000443891386 986091075 /nfs/dbraw/zinc/09/10/75/986091075.db2.gz GEOLFHZVCMBBSN-OXJNMPFZSA-N 1 1 421.925 3.631 20 30 HHEDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000443891386 986091091 /nfs/dbraw/zinc/09/10/91/986091091.db2.gz GEOLFHZVCMBBSN-OXJNMPFZSA-N 1 1 421.925 3.631 20 30 HHEDMO N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)c1cccc(Cl)c1 ZINC000463214343 986186062 /nfs/dbraw/zinc/18/60/62/986186062.db2.gz PKUFGKRJOVQGSO-NJDAHSKKSA-N 1 1 403.954 3.992 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000463217741 986189147 /nfs/dbraw/zinc/18/91/47/986189147.db2.gz GEHQNPIVSFHNKG-YSFYHYPLSA-N 1 1 403.563 3.569 20 30 HHEDMO N#Cc1cccc(COc2cccc(CNc3[nH+]cccc3N3CCOCC3)c2)c1 ZINC000463252410 986220980 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ZINC000480749622 993615772 /nfs/dbraw/zinc/61/57/72/993615772.db2.gz OEYCWJYKOUXIMG-UHFFFAOYSA-N 1 1 409.331 3.900 20 30 HHEDMO CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000472712575 993635851 /nfs/dbraw/zinc/63/58/51/993635851.db2.gz KAZWAZAUTMOJMW-UHFFFAOYSA-N 1 1 408.502 3.925 20 30 HHEDMO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000472838519 993773539 /nfs/dbraw/zinc/77/35/39/993773539.db2.gz YYNQSORDEHNHRQ-FQEVSTJZSA-N 1 1 421.541 3.623 20 30 HHEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000481107171 993944136 /nfs/dbraw/zinc/94/41/36/993944136.db2.gz ABOYNYDJCCUNGS-QGZVFWFLSA-N 1 1 413.319 3.875 20 30 HHEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000481107171 993944147 /nfs/dbraw/zinc/94/41/47/993944147.db2.gz ABOYNYDJCCUNGS-QGZVFWFLSA-N 1 1 413.319 3.875 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185182 994016681 /nfs/dbraw/zinc/01/66/81/994016681.db2.gz WDMKSKISEKVRPT-YGOYIFOWSA-N 1 1 402.542 3.554 20 30 HHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185182 994016689 /nfs/dbraw/zinc/01/66/89/994016689.db2.gz WDMKSKISEKVRPT-YGOYIFOWSA-N 1 1 402.542 3.554 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCSC4(CCOCC4)C3)sc2C1 ZINC000473178124 994044751 /nfs/dbraw/zinc/04/47/51/994044751.db2.gz ZGDYFHBMWQIBPP-OAHLLOKOSA-N 1 1 419.616 3.671 20 30 HHEDMO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503782 994351599 /nfs/dbraw/zinc/35/15/99/994351599.db2.gz MULMWOPSUVCXTH-CPJSRVTESA-N 1 1 403.526 3.840 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481700472 994561364 /nfs/dbraw/zinc/56/13/64/994561364.db2.gz XIJZVLVVUFXCSO-KOSHJBKYSA-N 1 1 407.489 3.982 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481700472 994561373 /nfs/dbraw/zinc/56/13/73/994561373.db2.gz XIJZVLVVUFXCSO-KOSHJBKYSA-N 1 1 407.489 3.982 20 30 HHEDMO CCN(C(=O)NCCOc1ccc(C#N)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474035588 995025728 /nfs/dbraw/zinc/02/57/28/995025728.db2.gz UKWNEPWNWPZUDH-UGKGYDQZSA-N 1 1 406.530 3.804 20 30 HHEDMO COc1cccc([C@H]2[C@@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)CC[N@H+]2C2CC2)c1 ZINC000474156283 995140366 /nfs/dbraw/zinc/14/03/66/995140366.db2.gz DULDPBMZGGLIKC-GOTSBHOMSA-N 1 1 401.510 3.693 20 30 HHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000474220712 995215457 /nfs/dbraw/zinc/21/54/57/995215457.db2.gz WQFAXUNMRWPGLH-MRXNPFEDSA-N 1 1 403.548 3.633 20 30 HHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000474220712 995215467 /nfs/dbraw/zinc/21/54/67/995215467.db2.gz WQFAXUNMRWPGLH-MRXNPFEDSA-N 1 1 403.548 3.633 20 30 HHEDMO COC(=O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000474239903 995237753 /nfs/dbraw/zinc/23/77/53/995237753.db2.gz MMQCGPIHMUQNEN-UHFFFAOYSA-N 1 1 403.548 3.635 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000474262057 995260731 /nfs/dbraw/zinc/26/07/31/995260731.db2.gz DDOGOQSSUJHUFU-MRXNPFEDSA-N 1 1 403.452 3.900 20 30 HHEDMO CCCc1c(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnn1-c1cccc(C#N)c1 ZINC000482425516 995417433 /nfs/dbraw/zinc/41/74/33/995417433.db2.gz VAVPECVCPUSUNT-UFRUDQCGSA-N 1 1 406.534 3.785 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)nnc1-c1ccco1 ZINC000482427880 995420143 /nfs/dbraw/zinc/42/01/43/995420143.db2.gz REABRQFMZMZEKK-KRWDZBQOSA-N 1 1 417.579 3.539 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)c1C#N ZINC000483103490 995976785 /nfs/dbraw/zinc/97/67/85/995976785.db2.gz KSXNONGPWUUBIQ-NRFANRHFSA-N 1 1 421.545 3.579 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)c1C#N ZINC000483103490 995976791 /nfs/dbraw/zinc/97/67/91/995976791.db2.gz KSXNONGPWUUBIQ-NRFANRHFSA-N 1 1 421.545 3.579 20 30 HHEDMO CC[C@H]1C[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@]2(CCOC2)O1 ZINC000483138344 995997581 /nfs/dbraw/zinc/99/75/81/995997581.db2.gz BKESOKLGMQMJAH-WIOPSUGQSA-N 1 1 422.525 3.916 20 30 HHEDMO CC[C@H]1C[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@]2(CCOC2)O1 ZINC000483138344 995997584 /nfs/dbraw/zinc/99/75/84/995997584.db2.gz BKESOKLGMQMJAH-WIOPSUGQSA-N 1 1 422.525 3.916 20 30 HHEDMO N#Cc1ccc(F)c(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475218739 996003727 /nfs/dbraw/zinc/00/37/27/996003727.db2.gz ZHBASXHAVBLIMB-XMMPIXPASA-N 1 1 406.505 3.895 20 30 HHEDMO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000483178594 996020998 /nfs/dbraw/zinc/02/09/98/996020998.db2.gz MSBCXIWFWHEOGE-PMOQBDJRSA-N 1 1 405.542 3.762 20 30 HHEDMO COc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000483179704 996021470 /nfs/dbraw/zinc/02/14/70/996021470.db2.gz CAVBUMMHBNCNCX-HOYKHHGWSA-N 1 1 408.498 3.526 20 30 HHEDMO COc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000483179704 996021475 /nfs/dbraw/zinc/02/14/75/996021475.db2.gz CAVBUMMHBNCNCX-HOYKHHGWSA-N 1 1 408.498 3.526 20 30 HHEDMO C=C(C)[C@H](NC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000483301946 996088135 /nfs/dbraw/zinc/08/81/35/996088135.db2.gz YTXASTIAZZWNNZ-QFIPXVFZSA-N 1 1 420.548 3.782 20 30 HHEDMO C[N@@H+](CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)Cc1ccc(F)cc1 ZINC000483450423 996188581 /nfs/dbraw/zinc/18/85/81/996188581.db2.gz ACHAAQFJHREEHA-UHFFFAOYSA-N 1 1 424.398 3.892 20 30 HHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000475560709 996219587 /nfs/dbraw/zinc/21/95/87/996219587.db2.gz OXHNZHOYFWSVDG-UHFFFAOYSA-N 1 1 400.320 3.789 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)c1C ZINC000475669903 996289576 /nfs/dbraw/zinc/28/95/76/996289576.db2.gz GEPKXXZCCTXRMB-RUZDIDTESA-N 1 1 405.542 3.620 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc2)C[C@H](C)O1 ZINC000484159402 996607069 /nfs/dbraw/zinc/60/70/69/996607069.db2.gz KKDAKCQFSBQQCG-CALCHBBNSA-N 1 1 404.514 3.694 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc2)C[C@H](C)O1 ZINC000484159402 996607086 /nfs/dbraw/zinc/60/70/86/996607086.db2.gz KKDAKCQFSBQQCG-CALCHBBNSA-N 1 1 404.514 3.694 20 30 HHEDMO N#CC[C@H](CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000476377711 996817629 /nfs/dbraw/zinc/81/76/29/996817629.db2.gz KPPGNZGBBFBGKC-HXUWFJFHSA-N 1 1 410.949 3.666 20 30 HHEDMO C=CC[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)CC1CCCCC1 ZINC000484545901 996878501 /nfs/dbraw/zinc/87/85/01/996878501.db2.gz TUVZWQHWWZQGSB-UHFFFAOYSA-N 1 1 411.590 3.784 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000476417978 996882140 /nfs/dbraw/zinc/88/21/40/996882140.db2.gz YMHHNZPUJUOEAW-INIZCTEOSA-N 1 1 409.983 3.877 20 30 HHEDMO CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000476468937 996944924 /nfs/dbraw/zinc/94/49/24/996944924.db2.gz FJZWAWOINFIJBK-PKTZIBPZSA-N 1 1 410.606 3.897 20 30 HHEDMO CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000476469712 996946656 /nfs/dbraw/zinc/94/66/56/996946656.db2.gz HEOPGGGSPQINLA-QPTUXGOLSA-N 1 1 410.606 3.870 20 30 HHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000485017890 997382595 /nfs/dbraw/zinc/38/25/95/997382595.db2.gz ZHGUVHXFQJSHLK-UHFFFAOYSA-N 1 1 418.423 3.826 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C#N ZINC000485343438 997762728 /nfs/dbraw/zinc/76/27/28/997762728.db2.gz FQGDTLKNSBYKNU-KNQAVFIVSA-N 1 1 411.594 3.836 20 30 HHEDMO N#Cc1ccsc1N1CC[C@H](N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1=O ZINC000485361488 997786757 /nfs/dbraw/zinc/78/67/57/997786757.db2.gz NORVFVCWLCRXMT-VSKRKVRLSA-N 1 1 420.582 3.712 20 30 HHEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000477131853 997787321 /nfs/dbraw/zinc/78/73/21/997787321.db2.gz HMSJUDJVWKJWOS-OAQYLSRUSA-N 1 1 422.529 3.564 20 30 HHEDMO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000477298285 997984545 /nfs/dbraw/zinc/98/45/45/997984545.db2.gz ACOOHEKBLVGZJL-KRWDZBQOSA-N 1 1 423.542 3.817 20 30 HHEDMO C[N@H+]1CC[C@@H](CNC(=O)CNc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477485256 998206021 /nfs/dbraw/zinc/20/60/21/998206021.db2.gz OUAUGCWMYDYRGB-HRAATJIYSA-N 1 1 400.885 3.572 20 30 HHEDMO C=CCOc1ccccc1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000477577838 998295848 /nfs/dbraw/zinc/29/58/48/998295848.db2.gz VBDOURASAKYTDK-QFIPXVFZSA-N 1 1 408.546 3.843 20 30 HHEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000485835434 998301493 /nfs/dbraw/zinc/30/14/93/998301493.db2.gz QETANDGHPYIJEO-KRWDZBQOSA-N 1 1 408.527 3.544 20 30 HHEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000485835434 998301511 /nfs/dbraw/zinc/30/15/11/998301511.db2.gz QETANDGHPYIJEO-KRWDZBQOSA-N 1 1 408.527 3.544 20 30 HHEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1 ZINC000477633735 998350978 /nfs/dbraw/zinc/35/09/78/998350978.db2.gz QZMGAYGQKCBRCU-HXUWFJFHSA-N 1 1 403.482 3.968 20 30 HHEDMO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000485944551 998388368 /nfs/dbraw/zinc/38/83/68/998388368.db2.gz MFJCFBKBQPLZGI-SFHVURJKSA-N 1 1 424.570 3.992 20 30 HHEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000477685866 998398070 /nfs/dbraw/zinc/39/80/70/998398070.db2.gz BCSHPROTQCHGKA-OAQYLSRUSA-N 1 1 418.541 3.593 20 30 HHEDMO CCN(C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1)CC(F)(F)F ZINC000477725110 998453391 /nfs/dbraw/zinc/45/33/91/998453391.db2.gz NQUZTELDGPAMET-QZTJIDSGSA-N 1 1 410.484 3.528 20 30 HHEDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)CCO1 ZINC000477734212 998469856 /nfs/dbraw/zinc/46/98/56/998469856.db2.gz OPHUGPGEWJGFAA-GOSISDBHSA-N 1 1 405.498 3.676 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000478058178 998741287 /nfs/dbraw/zinc/74/12/87/998741287.db2.gz KSQVPXLSDRVYTO-PXNSSMCTSA-N 1 1 400.592 3.702 20 30 HHEDMO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000486794004 998942723 /nfs/dbraw/zinc/94/27/23/998942723.db2.gz YSDMAENNQDSVNP-IBGZPJMESA-N 1 1 414.550 3.930 20 30 HHEDMO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000486794004 998942728 /nfs/dbraw/zinc/94/27/28/998942728.db2.gz YSDMAENNQDSVNP-IBGZPJMESA-N 1 1 414.550 3.930 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486828258 998959550 /nfs/dbraw/zinc/95/95/50/998959550.db2.gz UARQLPWPEHWMPU-TYBLODHISA-N 1 1 423.557 3.544 20 30 HHEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4ccncc4)cc3F)C2=O)cc1 ZINC000486864704 998979969 /nfs/dbraw/zinc/97/99/69/998979969.db2.gz CNPHTVGLXOZKHT-HSZRJFAPSA-N 1 1 400.457 3.650 20 30 HHEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4cccc(F)c4F)o3)C2=O)cc1 ZINC000486881720 998989803 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/nfs/dbraw/zinc/56/75/44/1001567544.db2.gz GKJLNNGVPNBQQA-GOTSBHOMSA-N 1 1 411.521 3.985 20 30 HHEDMO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000506856681 1001567548 /nfs/dbraw/zinc/56/75/48/1001567548.db2.gz GKJLNNGVPNBQQA-GOTSBHOMSA-N 1 1 411.521 3.985 20 30 HHEDMO CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000498028574 1001612834 /nfs/dbraw/zinc/61/28/34/1001612834.db2.gz CIDUQUVKRSAXPL-TZIWHRDSSA-N 1 1 420.557 3.892 20 30 HHEDMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000498132063 1001655596 /nfs/dbraw/zinc/65/55/96/1001655596.db2.gz MJVHCPOVDYOVLD-UHFFFAOYSA-N 1 1 420.948 3.791 20 30 HHEDMO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cc1F ZINC000507216068 1001903359 /nfs/dbraw/zinc/90/33/59/1001903359.db2.gz TWSZQOYJPKMSHZ-MEBBXXQBSA-N 1 1 408.296 3.977 20 30 HHEDMO C=CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000507229597 1001916399 /nfs/dbraw/zinc/91/63/99/1001916399.db2.gz BZYQMSURJMUZBE-QHCPKHFHSA-N 1 1 420.553 3.910 20 30 HHEDMO COc1cccc([C@H](C)[NH+]2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000507702431 1002294066 /nfs/dbraw/zinc/29/40/66/1002294066.db2.gz CGTLLAIBPOWSNB-SFTDATJTSA-N 1 1 420.557 3.709 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000498922812 1002318201 /nfs/dbraw/zinc/31/82/01/1002318201.db2.gz DWKICCYYULYYSE-SFHVURJKSA-N 1 1 403.592 3.518 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000498922812 1002318216 /nfs/dbraw/zinc/31/82/16/1002318216.db2.gz DWKICCYYULYYSE-SFHVURJKSA-N 1 1 403.592 3.518 20 30 HHEDMO CCCOc1cccc(CNC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507801524 1002353122 /nfs/dbraw/zinc/35/31/22/1002353122.db2.gz MEAPMAANAAKQNO-UHFFFAOYSA-N 1 1 407.514 3.507 20 30 HHEDMO C[C@@H](OCCCNC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000507834090 1002375550 /nfs/dbraw/zinc/37/55/50/1002375550.db2.gz RKSNBHASUMIOAZ-HXUWFJFHSA-N 1 1 421.541 3.686 20 30 HHEDMO 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SXNFQFPGPKOODO-UHFFFAOYSA-N 1 1 404.562 3.818 20 30 HHEDMO C=CCn1c(-c2cccc3ccccc32)nnc1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000508996133 1003467367 /nfs/dbraw/zinc/46/73/67/1003467367.db2.gz NKNHLTZASMMQFE-IBGZPJMESA-N 1 1 417.557 3.974 20 30 HHEDMO C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000509010738 1003481405 /nfs/dbraw/zinc/48/14/05/1003481405.db2.gz KPHGALUFAXFOFJ-AEFFLSMTSA-N 1 1 401.942 3.505 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000500236648 1003573222 /nfs/dbraw/zinc/57/32/22/1003573222.db2.gz ODMHXWDQMKGKEZ-QFIPXVFZSA-N 1 1 422.573 3.967 20 30 HHEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(c3nncn3C)CC2)cc1OC ZINC000509384033 1003812265 /nfs/dbraw/zinc/81/22/65/1003812265.db2.gz DHYFJXBOWJHGEF-UHFFFAOYSA-N 1 1 421.339 3.531 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000500829566 1003987135 /nfs/dbraw/zinc/98/71/35/1003987135.db2.gz DEWMWJHZFOUXIT-QGZVFWFLSA-N 1 1 415.534 3.549 20 30 HHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000512185159 1004086692 /nfs/dbraw/zinc/08/66/92/1004086692.db2.gz ZWFDKZXIBQCHPU-CQSZACIVSA-N 1 1 400.302 3.897 20 30 HHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512203853 1004105397 /nfs/dbraw/zinc/10/53/97/1004105397.db2.gz QXUWKDCLQDCGFZ-FRIYVGAWSA-N 1 1 409.534 3.530 20 30 HHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512203853 1004105402 /nfs/dbraw/zinc/10/54/02/1004105402.db2.gz QXUWKDCLQDCGFZ-FRIYVGAWSA-N 1 1 409.534 3.530 20 30 HHEDMO N#Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000512211809 1004112832 /nfs/dbraw/zinc/11/28/32/1004112832.db2.gz IVHCSBMKUVQSGP-LJQANCHMSA-N 1 1 402.420 3.651 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1OCC ZINC000512219520 1004121242 /nfs/dbraw/zinc/12/12/42/1004121242.db2.gz ORAKMHFGLZEJHV-HNNXBMFYSA-N 1 1 411.340 3.643 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+]2CCCC[C@H]2CC(N)=O)cc1OCC 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/nfs/dbraw/zinc/74/50/78/1009745078.db2.gz QBMJOGUHEWYQMK-UHFFFAOYSA-N 1 1 423.561 3.507 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1C#N ZINC000550186430 1009761777 /nfs/dbraw/zinc/76/17/77/1009761777.db2.gz SGRCNYNLNLVSEB-JOCHJYFZSA-N 1 1 408.546 3.710 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCCO[C@@H](C(C)C)C2)c1C#N ZINC000550186430 1009761797 /nfs/dbraw/zinc/76/17/97/1009761797.db2.gz SGRCNYNLNLVSEB-JOCHJYFZSA-N 1 1 408.546 3.710 20 30 HHEDMO Cc1cnc([C@H]([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)s1 ZINC000544425498 1010048671 /nfs/dbraw/zinc/04/86/71/1010048671.db2.gz VCIORMAROIYTHN-GOSISDBHSA-N 1 1 407.461 3.679 20 30 HHEDMO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1nnc2ccccn21 ZINC000544432734 1010056465 /nfs/dbraw/zinc/05/64/65/1010056465.db2.gz BCBVYDWUNSIRME-FQEVSTJZSA-N 1 1 410.909 3.616 20 30 HHEDMO N#Cc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1Cl ZINC000521170475 1010203048 /nfs/dbraw/zinc/20/30/48/1010203048.db2.gz ORWCBADRLCPHLT-YQQQUEKLSA-N 1 1 415.946 3.686 20 30 HHEDMO Cc1cc(C[NH+]2CCSCC2)ccc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000547273196 1010218806 /nfs/dbraw/zinc/21/88/06/1010218806.db2.gz NXCLTMLIXAQWSW-UHFFFAOYSA-N 1 1 421.975 3.870 20 30 HHEDMO COc1cc(C[NH2+]C[C@H](C)C#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000544600359 1010226484 /nfs/dbraw/zinc/22/64/84/1010226484.db2.gz OZVDYDVQAASCEI-CYBMUJFWSA-N 1 1 405.857 3.754 20 30 HHEDMO C=CC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000521240468 1010246851 /nfs/dbraw/zinc/24/68/51/1010246851.db2.gz UPXQLJOHXRYPLA-UHFFFAOYSA-N 1 1 424.511 3.573 20 30 HHEDMO COc1ccc(CC[C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000521510995 1010426089 /nfs/dbraw/zinc/42/60/89/1010426089.db2.gz LTFDRZHLYNPBJC-FQEVSTJZSA-N 1 1 420.557 3.805 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc4c(cc3Cl)OCO4)CC2)cc1 ZINC000551237506 1010458012 /nfs/dbraw/zinc/45/80/12/1010458012.db2.gz HUIABQZZIFRFPA-UHFFFAOYSA-N 1 1 412.877 3.680 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc4c(cc3Cl)OCO4)CC2)cc1 ZINC000551237506 1010458019 /nfs/dbraw/zinc/45/80/19/1010458019.db2.gz HUIABQZZIFRFPA-UHFFFAOYSA-N 1 1 412.877 3.680 20 30 HHEDMO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000544931918 1010501360 /nfs/dbraw/zinc/50/13/60/1010501360.db2.gz YYXFNVNVOQPYQG-UHFFFAOYSA-N 1 1 414.557 3.818 20 30 HHEDMO COC1CC[NH+](C2(CN[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CCCC2)CC1 ZINC000521689149 1010553419 /nfs/dbraw/zinc/55/34/19/1010553419.db2.gz GTEHWYLNQKNBJB-MRXNPFEDSA-N 1 1 418.969 3.552 20 30 HHEDMO CC(=O)Nc1cccc([C@@H](C)NCC#CC[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000551396560 1010559803 /nfs/dbraw/zinc/55/98/03/1010559803.db2.gz UDWRAKDKUQIPJO-QZTJIDSGSA-N 1 1 406.530 3.608 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000521805604 1010632017 /nfs/dbraw/zinc/63/20/17/1010632017.db2.gz MGZFEEQABMJLMQ-MSOLQXFVSA-N 1 1 416.591 3.790 20 30 HHEDMO CC(C)[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[NH+]1CCOCC1 ZINC000521951601 1010732063 /nfs/dbraw/zinc/73/20/63/1010732063.db2.gz LIAAOZZLPZUHET-QHCPKHFHSA-N 1 1 407.514 3.632 20 30 HHEDMO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2cccs2)C2Cc3ccccc3C2)c1 ZINC000551721735 1010761816 /nfs/dbraw/zinc/76/18/16/1010761816.db2.gz GJZUDINULSOZRM-UHFFFAOYSA-N 1 1 401.535 3.906 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935642 1010768853 /nfs/dbraw/zinc/76/88/53/1010768853.db2.gz QHUXECUKGWKEAR-MRXNPFEDSA-N 1 1 412.515 3.960 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935642 1010768856 /nfs/dbraw/zinc/76/88/56/1010768856.db2.gz QHUXECUKGWKEAR-MRXNPFEDSA-N 1 1 412.515 3.960 20 30 HHEDMO COc1ccc(C[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000522374092 1010965600 /nfs/dbraw/zinc/96/56/00/1010965600.db2.gz GVEJJPYELOJBQO-ZEQRLZLVSA-N 1 1 415.493 3.675 20 30 HHEDMO Cc1cccc(C2=CC[N@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)c1 ZINC000540591360 1011247330 /nfs/dbraw/zinc/24/73/30/1011247330.db2.gz BHIHMBJKXFWSTA-QFIPXVFZSA-N 1 1 420.582 3.555 20 30 HHEDMO Cc1cccc(C2=CC[N@@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC2)c1 ZINC000540591360 1011247342 /nfs/dbraw/zinc/24/73/42/1011247342.db2.gz BHIHMBJKXFWSTA-QFIPXVFZSA-N 1 1 420.582 3.555 20 30 HHEDMO C[N@H+]1CC[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H]1c1ccccc1 ZINC000536225452 1011372956 /nfs/dbraw/zinc/37/29/56/1011372956.db2.gz KYPYXXPZXUENFJ-ICOILDSSSA-N 1 1 418.541 3.993 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)Cn1cc[nH+]c1C)c1ccc2c(c1)OCO2 ZINC000540731085 1011381798 /nfs/dbraw/zinc/38/17/98/1011381798.db2.gz QFHAHNDEMWYHJX-UHFFFAOYSA-N 1 1 405.454 3.718 20 30 HHEDMO C[C@@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[N@H+]1CCCC[C@@H]1C ZINC000523053542 1011523098 /nfs/dbraw/zinc/52/30/98/1011523098.db2.gz VDQXWNBKYWTTBA-ROUUACIJSA-N 1 1 420.513 3.668 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1C ZINC000536344533 1011549657 /nfs/dbraw/zinc/54/96/57/1011549657.db2.gz OZFPNOQNJQETCP-VQTJNVASSA-N 1 1 401.576 3.537 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1C ZINC000536344533 1011549663 /nfs/dbraw/zinc/54/96/63/1011549663.db2.gz OZFPNOQNJQETCP-VQTJNVASSA-N 1 1 401.576 3.537 20 30 HHEDMO COc1cc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000540902314 1011575302 /nfs/dbraw/zinc/57/53/02/1011575302.db2.gz DZJXIHMOMHCHHN-GOSISDBHSA-N 1 1 415.440 3.796 20 30 HHEDMO COc1cc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000540902314 1011575307 /nfs/dbraw/zinc/57/53/07/1011575307.db2.gz DZJXIHMOMHCHHN-GOSISDBHSA-N 1 1 415.440 3.796 20 30 HHEDMO C[N@@H+]1CC[C@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000536372442 1011582555 /nfs/dbraw/zinc/58/25/55/1011582555.db2.gz RMPZDIHRPRBRRH-REWPJTCUSA-N 1 1 424.932 3.882 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000536372442 1011582566 /nfs/dbraw/zinc/58/25/66/1011582566.db2.gz RMPZDIHRPRBRRH-REWPJTCUSA-N 1 1 424.932 3.882 20 30 HHEDMO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536375784 1011585038 /nfs/dbraw/zinc/58/50/38/1011585038.db2.gz YHPLDTGXNXACRO-YADHBBJMSA-N 1 1 411.505 3.590 20 30 HHEDMO CC(C)S(=O)(=O)Cc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000540972672 1011607692 /nfs/dbraw/zinc/60/76/92/1011607692.db2.gz ZCIHTFSGTZWNDE-UHFFFAOYSA-N 1 1 411.571 3.958 20 30 HHEDMO Cc1cc(NC(=O)N2CCC(CC#N)CC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000541040366 1011677717 /nfs/dbraw/zinc/67/77/17/1011677717.db2.gz ALSBTLXYDXPFHM-NRFANRHFSA-N 1 1 406.534 3.796 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129160 1011786324 /nfs/dbraw/zinc/78/63/24/1011786324.db2.gz UMWDXBZBUJMJBL-MSOLQXFVSA-N 1 1 409.452 3.707 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129162 1011787291 /nfs/dbraw/zinc/78/72/91/1011787291.db2.gz UMWDXBZBUJMJBL-ROUUACIJSA-N 1 1 409.452 3.707 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC ZINC000536670836 1011827217 /nfs/dbraw/zinc/82/72/17/1011827217.db2.gz MBQGXOLZCWJBEY-HNNXBMFYSA-N 1 1 420.351 3.821 20 30 HHEDMO Cn1cc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000551734725 1011895203 /nfs/dbraw/zinc/89/52/03/1011895203.db2.gz ZCWVQFNMKPIZHA-UHFFFAOYSA-N 1 1 407.468 3.949 20 30 HHEDMO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](Cc4ccc(CC#N)cc4)CC3)n2)cc1 ZINC000541281748 1011975385 /nfs/dbraw/zinc/97/53/85/1011975385.db2.gz KCPSOCUBDLYFCE-LJQANCHMSA-N 1 1 401.514 3.990 20 30 HHEDMO CCOCC[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000523626986 1012207657 /nfs/dbraw/zinc/20/76/57/1012207657.db2.gz AOZHERCDZBSMEN-UHFFFAOYSA-N 1 1 424.501 3.545 20 30 HHEDMO N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cccn3)cc2)C(N)=O)cc1 ZINC000523735514 1012355473 /nfs/dbraw/zinc/35/54/73/1012355473.db2.gz PQLPKDZNOHFDMR-RUZDIDTESA-N 1 1 421.504 3.786 20 30 HHEDMO C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599719 1012393218 /nfs/dbraw/zinc/39/32/18/1012393218.db2.gz KMOWWZFJTQRJTM-PMPSAXMXSA-N 1 1 400.592 3.678 20 30 HHEDMO C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601600 1012396992 /nfs/dbraw/zinc/39/69/92/1012396992.db2.gz IVPKBBHOYDQDMS-ZWKOTPCHSA-N 1 1 402.970 3.829 20 30 HHEDMO C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601599 1012397390 /nfs/dbraw/zinc/39/73/90/1012397390.db2.gz IVPKBBHOYDQDMS-ROUUACIJSA-N 1 1 402.970 3.829 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000537087033 1012441002 /nfs/dbraw/zinc/44/10/02/1012441002.db2.gz YJTPTCKDHBMQCL-CQSZACIVSA-N 1 1 404.461 3.581 20 30 HHEDMO N#Cc1cnn2cc(C[NH2+][C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)cnc12 ZINC000552423837 1012442126 /nfs/dbraw/zinc/44/21/26/1012442126.db2.gz XPIZIRIUAKNSOP-NRFANRHFSA-N 1 1 411.444 3.621 20 30 HHEDMO Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc2)c(C)c1 ZINC000537157403 1012554097 /nfs/dbraw/zinc/55/40/97/1012554097.db2.gz DPVPJNLPBGYJBY-QHCPKHFHSA-N 1 1 419.550 3.985 20 30 HHEDMO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCC[NH+]2CCSCC2)c1 ZINC000523945073 1012682368 /nfs/dbraw/zinc/68/23/68/1012682368.db2.gz UUMPKHRPPIUHAA-UHFFFAOYSA-N 1 1 401.919 3.783 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1C#N ZINC000552804373 1012809140 /nfs/dbraw/zinc/80/91/40/1012809140.db2.gz DBGJVMQGRCOYJC-SFHVURJKSA-N 1 1 406.555 3.551 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1C#N ZINC000552804373 1012809161 /nfs/dbraw/zinc/80/91/61/1012809161.db2.gz DBGJVMQGRCOYJC-SFHVURJKSA-N 1 1 406.555 3.551 20 30 HHEDMO C[C@@H](NC(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542053214 1012964562 /nfs/dbraw/zinc/96/45/62/1012964562.db2.gz PVOZJCPHQBVCQY-MRXNPFEDSA-N 1 1 402.502 3.585 20 30 HHEDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542094081 1013022960 /nfs/dbraw/zinc/02/29/60/1013022960.db2.gz KDEHZZARRLOGPJ-ROUUACIJSA-N 1 1 407.917 3.830 20 30 HHEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542094081 1013022973 /nfs/dbraw/zinc/02/29/73/1013022973.db2.gz KDEHZZARRLOGPJ-ROUUACIJSA-N 1 1 407.917 3.830 20 30 HHEDMO N#Cc1cccc(-c2cc(C(F)(F)F)cnc2N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001168369640 1071759227 /nfs/dbraw/zinc/75/92/27/1071759227.db2.gz FXWJLHWQWLMDQW-QGZVFWFLSA-N 1 1 402.420 3.914 20 30 HHEDMO N#Cc1cccc(-c2cc(C(F)(F)F)cnc2N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001168369640 1071759243 /nfs/dbraw/zinc/75/92/43/1071759243.db2.gz FXWJLHWQWLMDQW-QGZVFWFLSA-N 1 1 402.420 3.914 20 30 HHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cc(OC)c(OC)cc2F)no1 ZINC001211975373 1071829065 /nfs/dbraw/zinc/82/90/65/1071829065.db2.gz FNHKFFOTZNRCRS-PBHICJAKSA-N 1 1 407.486 3.971 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1C#N ZINC000533309629 1071848497 /nfs/dbraw/zinc/84/84/97/1071848497.db2.gz JPVQAFNKWSSBBE-LJQANCHMSA-N 1 1 422.577 3.718 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1C#N ZINC000533309629 1071848500 /nfs/dbraw/zinc/84/85/00/1071848500.db2.gz JPVQAFNKWSSBBE-LJQANCHMSA-N 1 1 422.577 3.718 20 30 HHEDMO N#Cc1cccc(N2CC[NH+](Cc3c(-c4ccccc4)nc4sccn34)CC2)n1 ZINC000760603149 1071970754 /nfs/dbraw/zinc/97/07/54/1071970754.db2.gz PWQPIVRVBQWBOW-UHFFFAOYSA-N 1 1 400.511 3.652 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000729811922 1072127256 /nfs/dbraw/zinc/12/72/56/1072127256.db2.gz GOYFCCQZSMADHB-NRFANRHFSA-N 1 1 416.477 3.868 20 30 HHEDMO CC(=NNc1ccc(Br)cc1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000912828059 1072288033 /nfs/dbraw/zinc/28/80/33/1072288033.db2.gz JNHYVUUFKVQICX-UHFFFAOYSA-N 1 1 404.308 3.823 20 30 HHEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000912889805 1072296188 /nfs/dbraw/zinc/29/61/88/1072296188.db2.gz VHEMIEOVINJYDV-OEAKJJBVSA-N 1 1 403.526 3.631 20 30 HHEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000912889805 1072296193 /nfs/dbraw/zinc/29/61/93/1072296193.db2.gz VHEMIEOVINJYDV-OEAKJJBVSA-N 1 1 403.526 3.631 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CCc2ccccc2O)c1C#N ZINC000571683025 1072695436 /nfs/dbraw/zinc/69/54/36/1072695436.db2.gz SPOFCUBESTZFKT-UHFFFAOYSA-N 1 1 416.525 3.844 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CCc2ccccc2O)c1C#N ZINC000571683025 1072695441 /nfs/dbraw/zinc/69/54/41/1072695441.db2.gz SPOFCUBESTZFKT-UHFFFAOYSA-N 1 1 416.525 3.844 20 30 HHEDMO C=C(C)[C@@H]([NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)c1ccc(F)c(F)c1 ZINC000479411226 1072835011 /nfs/dbraw/zinc/83/50/11/1072835011.db2.gz NDVYPPDBHLLYRH-LJQANCHMSA-N 1 1 410.848 3.898 20 30 HHEDMO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000555238312 1073271157 /nfs/dbraw/zinc/27/11/57/1073271157.db2.gz MBKFMTKVSDRTKK-UHFFFAOYSA-N 1 1 417.985 3.645 20 30 HHEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000555242208 1073285276 /nfs/dbraw/zinc/28/52/76/1073285276.db2.gz GMLAEQDMTUFBJT-UHFFFAOYSA-N 1 1 418.570 3.700 20 30 HHEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000555265038 1073297077 /nfs/dbraw/zinc/29/70/77/1073297077.db2.gz CWVQOVMNQLZTDH-UHFFFAOYSA-N 1 1 419.577 3.603 20 30 HHEDMO C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000555265834 1073298129 /nfs/dbraw/zinc/29/81/29/1073298129.db2.gz PEMXLFRIFSZGGE-HXUWFJFHSA-N 1 1 417.557 3.833 20 30 HHEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000555265322 1073298539 /nfs/dbraw/zinc/29/85/39/1073298539.db2.gz HSPBBFUXTZOKCT-TZIWHRDSSA-N 1 1 401.599 3.839 20 30 HHEDMO CC(=O)NCC[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CCSCC1 ZINC000555368313 1073376585 /nfs/dbraw/zinc/37/65/85/1073376585.db2.gz XFCZBLAZENWHGY-UHFFFAOYSA-N 1 1 423.582 3.971 20 30 HHEDMO N#Cc1ccncc1N1CC[NH+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000590053255 1073528890 /nfs/dbraw/zinc/52/88/90/1073528890.db2.gz GEIVLXGPXQJBOQ-UHFFFAOYSA-N 1 1 402.473 3.994 20 30 HHEDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000590386576 1073749282 /nfs/dbraw/zinc/74/92/82/1073749282.db2.gz BIDRFIUTJKASSE-GOSISDBHSA-N 1 1 405.498 3.676 20 30 HHEDMO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591415175 1074281079 /nfs/dbraw/zinc/28/10/79/1074281079.db2.gz GVOBNOUPQMMRBJ-UHFFFAOYSA-N 1 1 418.585 3.893 20 30 HHEDMO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000591415175 1074281084 /nfs/dbraw/zinc/28/10/84/1074281084.db2.gz GVOBNOUPQMMRBJ-UHFFFAOYSA-N 1 1 418.585 3.893 20 30 HHEDMO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000591415175 1074281089 /nfs/dbraw/zinc/28/10/89/1074281089.db2.gz GVOBNOUPQMMRBJ-UHFFFAOYSA-N 1 1 418.585 3.893 20 30 HHEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)[C@@H](C)C3)sc2C1 ZINC000761068174 1075338538 /nfs/dbraw/zinc/33/85/38/1075338538.db2.gz HDEIBFXMTMKOKB-HOTGVXAUSA-N 1 1 402.608 3.735 20 30 HHEDMO N#C[C@H](C(=O)C[N@@H+]1CCCC[C@H]1CCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000761123536 1075495911 /nfs/dbraw/zinc/49/59/11/1075495911.db2.gz PUAWBFCBWYMPQD-PZJWPPBQSA-N 1 1 414.509 3.999 20 30 HHEDMO N#C[C@H](C(=O)C[N@H+]1CCCC[C@H]1CCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000761123536 1075495915 /nfs/dbraw/zinc/49/59/15/1075495915.db2.gz PUAWBFCBWYMPQD-PZJWPPBQSA-N 1 1 414.509 3.999 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)c1 ZINC000596842814 1075586070 /nfs/dbraw/zinc/58/60/70/1075586070.db2.gz XVRZEZBMUFVPEN-UHFFFAOYSA-N 1 1 417.513 3.771 20 30 HHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164649701 719311802 /nfs/dbraw/zinc/31/18/02/719311802.db2.gz QWPZFJVLCKDYTN-UHFFFAOYSA-N 1 1 408.884 3.553 20 30 HHEDMO N#CC1(c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2)CCC1 ZINC001164696587 719892094 /nfs/dbraw/zinc/89/20/94/719892094.db2.gz GALLHMGIHHPXTO-UHFFFAOYSA-N 1 1 408.571 3.960 20 30 HHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c(C#N)n1)CC2 ZINC001164712012 720098825 /nfs/dbraw/zinc/09/88/25/720098825.db2.gz UBYKVXRRNQABMN-SFHVURJKSA-N 1 1 411.937 3.509 20 30 HHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1C#C[Si](C)(C)C)C2 ZINC001164815054 720150696 /nfs/dbraw/zinc/15/06/96/720150696.db2.gz HPUJFFLIHQWGRO-LADGPHEKSA-N 1 1 411.666 3.804 20 30 HHEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nn2)cc1 ZINC001164721676 720338965 /nfs/dbraw/zinc/33/89/65/720338965.db2.gz CZHJSFWMTTWPSX-QPTUXGOLSA-N 1 1 410.525 3.689 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)nc1C#N)[C@H]2C ZINC001164863176 720948329 /nfs/dbraw/zinc/94/83/29/720948329.db2.gz YNYFTXJCIHXYGC-ZDUSSCGKSA-N 1 1 408.884 3.769 20 30 HHEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164783498 721393075 /nfs/dbraw/zinc/39/30/75/721393075.db2.gz IMSUDUZVRWUEAH-QZTJIDSGSA-N 1 1 405.502 3.784 20 30 HHEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900085 721526365 /nfs/dbraw/zinc/52/63/65/721526365.db2.gz NWYFKYGETNCZFI-GOEBONIOSA-N 1 1 422.838 3.633 20 30 HHEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912405 721536400 /nfs/dbraw/zinc/53/64/00/721536400.db2.gz ZPKHVUKKDWNFAK-RDJZCZTQSA-N 1 1 422.838 3.633 20 30 HHEDMO C=CCOC[C@H]1CCC[C@@]12CN(c1nc(Cl)ccc1C[NH+]1CCCC1)CCO2 ZINC001164973741 722168268 /nfs/dbraw/zinc/16/82/68/722168268.db2.gz CQANWILXFIHPJT-DENIHFKCSA-N 1 1 405.970 3.909 20 30 HHEDMO CCN1CC[NH+](Cc2ccccc2CNc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000301251139 970832272 /nfs/dbraw/zinc/83/22/72/970832272.db2.gz CBLBOYFPCWDOTN-UHFFFAOYSA-N 1 1 403.452 3.722 20 30 HHEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000301875038 971094951 /nfs/dbraw/zinc/09/49/51/971094951.db2.gz MBRIVARLUAXRNX-ROUUACIJSA-N 1 1 424.451 3.755 20 30 HHEDMO C=CCNC(=O)c1ccc(NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000301882727 971097191 /nfs/dbraw/zinc/09/71/91/971097191.db2.gz NABZWDWCJJBXHL-FOIQADDNSA-N 1 1 402.901 3.895 20 30 HHEDMO C[C@H]1CCCN(C(=O)C2CC[NH+](CC(=O)c3cn(CCC#N)c4ccccc34)CC2)C1 ZINC000303237499 971574634 /nfs/dbraw/zinc/57/46/34/971574634.db2.gz YRCVDVXOIRNYPZ-IBGZPJMESA-N 1 1 420.557 3.708 20 30 HHEDMO COc1ccccc1C[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000303282413 971597172 /nfs/dbraw/zinc/59/71/72/971597172.db2.gz IYLXURYOKPTOIG-HXUWFJFHSA-N 1 1 405.542 3.870 20 30 HHEDMO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000303305058 971614109 /nfs/dbraw/zinc/61/41/09/971614109.db2.gz DKZLFORZPPLHMN-MSOLQXFVSA-N 1 1 416.591 3.505 20 30 HHEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000303305058 971614113 /nfs/dbraw/zinc/61/41/13/971614113.db2.gz DKZLFORZPPLHMN-MSOLQXFVSA-N 1 1 416.591 3.505 20 30 HHEDMO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303391121 971678053 /nfs/dbraw/zinc/67/80/53/971678053.db2.gz PURMRADNQWFEOM-UHFFFAOYSA-N 1 1 405.527 3.997 20 30 HHEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000303641509 971921246 /nfs/dbraw/zinc/92/12/46/971921246.db2.gz IDANAMISUZWUQA-INIZCTEOSA-N 1 1 403.404 3.701 20 30 HHEDMO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000303641509 971921251 /nfs/dbraw/zinc/92/12/51/971921251.db2.gz IDANAMISUZWUQA-INIZCTEOSA-N 1 1 403.404 3.701 20 30 HHEDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000303788955 972028345 /nfs/dbraw/zinc/02/83/45/972028345.db2.gz JPVGPWSHBNHPFZ-QFBILLFUSA-N 1 1 417.962 3.885 20 30 HHEDMO [NH2+]=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303886632 972427021 /nfs/dbraw/zinc/42/70/21/972427021.db2.gz KKLYLILQYMWLOB-UHFFFAOYSA-N 1 1 421.467 3.524 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537706998 1013272670 /nfs/dbraw/zinc/27/26/70/1013272670.db2.gz YCGLNMWWKRBMQM-HNNXBMFYSA-N 1 1 420.498 3.696 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537706998 1013272682 /nfs/dbraw/zinc/27/26/82/1013272682.db2.gz YCGLNMWWKRBMQM-HNNXBMFYSA-N 1 1 420.498 3.696 20 30 HHEDMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542317038 1013273664 /nfs/dbraw/zinc/27/36/64/1013273664.db2.gz ORUFEUFJJGHDFV-QHCPKHFHSA-N 1 1 419.525 3.904 20 30 HHEDMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542317038 1013273678 /nfs/dbraw/zinc/27/36/78/1013273678.db2.gz ORUFEUFJJGHDFV-QHCPKHFHSA-N 1 1 419.525 3.904 20 30 HHEDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000553334439 1013281426 /nfs/dbraw/zinc/28/14/26/1013281426.db2.gz MGQKROCPKLAGTF-OJLPUSQMSA-N 1 1 405.514 3.813 20 30 HHEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000553409365 1013335077 /nfs/dbraw/zinc/33/50/77/1013335077.db2.gz XRVBLJKKAYVSCF-MRXNPFEDSA-N 1 1 411.775 3.580 20 30 HHEDMO N#Cc1cccc(-c2cc(C(=O)N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)on2)c1 ZINC000553458950 1013371084 /nfs/dbraw/zinc/37/10/84/1013371084.db2.gz DZKSUVCEYRLKDW-RUZDIDTESA-N 1 1 412.493 3.951 20 30 HHEDMO Cc1cc(C#N)nc(N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000553482655 1013388716 /nfs/dbraw/zinc/38/87/16/1013388716.db2.gz JJQMKLHFNZBBSC-UHFFFAOYSA-N 1 1 413.525 3.585 20 30 HHEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000017306177 963183523 /nfs/dbraw/zinc/18/35/23/963183523.db2.gz FDLVBPIAFVGOOY-INIZCTEOSA-N 1 1 406.515 3.514 20 30 HHEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000017306177 963183531 /nfs/dbraw/zinc/18/35/31/963183531.db2.gz FDLVBPIAFVGOOY-INIZCTEOSA-N 1 1 406.515 3.514 20 30 HHEDMO CC[N@@H+]1CCc2nc(NC(=O)C3=NN(c4cc(C)ccc4C)C(=O)CC3)sc2C1 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3.907 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4ccccc4Cl)n[nH]3)CC2)cc1 ZINC000025081370 964168911 /nfs/dbraw/zinc/16/89/11/964168911.db2.gz YSYZXQQPKMFOKE-UHFFFAOYSA-N 1 1 419.916 3.950 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4ccccc4Cl)n[nH]3)CC2)cc1 ZINC000025081370 964168915 /nfs/dbraw/zinc/16/89/15/964168915.db2.gz YSYZXQQPKMFOKE-UHFFFAOYSA-N 1 1 419.916 3.950 20 30 HHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000025698650 964336794 /nfs/dbraw/zinc/33/67/94/964336794.db2.gz MYDNUJLTQCHTDE-AZUAARDMSA-N 1 1 420.340 3.616 20 30 HHEDMO Cc1nc(SCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C#N)c(C)c1C ZINC000026043867 964428822 /nfs/dbraw/zinc/42/88/22/964428822.db2.gz OZNUPLVZZFDYAM-LJQANCHMSA-N 1 1 408.571 3.876 20 30 HHEDMO C=CCOc1ccc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cc1 ZINC000051420110 964564498 /nfs/dbraw/zinc/56/44/98/964564498.db2.gz ZOQLDOYYFLEGGX-UHFFFAOYSA-N 1 1 405.498 3.791 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)c1C 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N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4[nH]c(C(F)F)nc4c3)CC2)cc1 ZINC000111136349 969784113 /nfs/dbraw/zinc/78/41/13/969784113.db2.gz FJOPXEDBKADBKQ-UHFFFAOYSA-N 1 1 409.440 3.720 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000111176565 969794729 /nfs/dbraw/zinc/79/47/29/969794729.db2.gz CCCMFLCHLMXIMW-QHCPKHFHSA-N 1 1 417.488 3.757 20 30 HHEDMO N#CCCN(C(=O)CCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000111199928 969800539 /nfs/dbraw/zinc/80/05/39/969800539.db2.gz OOALNAZPJMAKCG-UHFFFAOYSA-N 1 1 424.589 3.828 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000116499962 969900090 /nfs/dbraw/zinc/90/00/90/969900090.db2.gz AUNGKSNWSYUGIR-INIZCTEOSA-N 1 1 400.486 3.550 20 30 HHEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000139968095 970056856 /nfs/dbraw/zinc/05/68/56/970056856.db2.gz RNJCCCQHHZRXRQ-INIZCTEOSA-N 1 1 404.518 3.652 20 30 HHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000228533679 970124566 /nfs/dbraw/zinc/12/45/66/970124566.db2.gz IDKGHTHBGSMGHG-MAUKXSAKSA-N 1 1 419.460 3.954 20 30 HHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000228533679 970124568 /nfs/dbraw/zinc/12/45/68/970124568.db2.gz IDKGHTHBGSMGHG-MAUKXSAKSA-N 1 1 419.460 3.954 20 30 HHEDMO CN1c2ccccc2N(C)C1=C1C(=O)CN(C[C@@H]2CCCO[C@H]2c2ccccc2)C1=[NH2+] ZINC000146270467 970285168 /nfs/dbraw/zinc/28/51/68/970285168.db2.gz VQCBMXQXTQIVRG-MBSDFSHPSA-N 1 1 416.525 3.814 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@H]2CCCCO2)c1C#N ZINC000165861755 970460620 /nfs/dbraw/zinc/46/06/20/970460620.db2.gz FBFZWWCMFYIMHP-HXUWFJFHSA-N 1 1 412.509 3.603 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCCO2)c1C#N ZINC000165861755 970460626 /nfs/dbraw/zinc/46/06/26/970460626.db2.gz FBFZWWCMFYIMHP-HXUWFJFHSA-N 1 1 412.509 3.603 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000247890929 970488010 /nfs/dbraw/zinc/48/80/10/970488010.db2.gz VJOPEUVTGKQQAO-UHFFFAOYSA-N 1 1 422.548 3.897 20 30 HHEDMO C[C@@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000255345133 970583825 /nfs/dbraw/zinc/58/38/25/970583825.db2.gz UFHTYJASRQKOHX-OAHLLOKOSA-N 1 1 421.419 3.920 20 30 HHEDMO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000261481998 970714419 /nfs/dbraw/zinc/71/44/19/970714419.db2.gz NHHUUWLATNJMHM-JOCHJYFZSA-N 1 1 408.546 3.961 20 30 HHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000261481998 970714429 /nfs/dbraw/zinc/71/44/29/970714429.db2.gz NHHUUWLATNJMHM-JOCHJYFZSA-N 1 1 408.546 3.961 20 30 HHEDMO CC[N@H+]1C[C@H](C)N(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@H]1C ZINC000554738597 1014035232 /nfs/dbraw/zinc/03/52/32/1014035232.db2.gz PDZNRHIPAYOBKH-SJORKVTESA-N 1 1 402.970 3.759 20 30 HHEDMO Cc1cccc(NC(=[NH2+])NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1 ZINC000304801357 972606562 /nfs/dbraw/zinc/60/65/62/972606562.db2.gz PBIYPJBEIUDJTQ-UHFFFAOYSA-N 1 1 405.468 3.692 20 30 HHEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccco1 ZINC000409587764 973036836 /nfs/dbraw/zinc/03/68/36/973036836.db2.gz BRKMCFGRXWTBHZ-INIZCTEOSA-N 1 1 415.437 3.531 20 30 HHEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1cccs1 ZINC000409734058 973208400 /nfs/dbraw/zinc/20/84/00/973208400.db2.gz NBMWEXSISJVWIE-UTKZUKDTSA-N 1 1 405.527 3.618 20 30 HHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)C1 ZINC000409766306 973242604 /nfs/dbraw/zinc/24/26/04/973242604.db2.gz DNMSAPWWSOWRHE-GOSISDBHSA-N 1 1 415.497 3.717 20 30 HHEDMO C=CCN1CC[C@H]([N@@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)C1=O ZINC000410375562 973973190 /nfs/dbraw/zinc/97/31/90/973973190.db2.gz QHSLCAWYPJBLSU-NRFANRHFSA-N 1 1 408.477 3.615 20 30 HHEDMO C=CCN1CC[C@H]([N@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)C1=O ZINC000410375562 973973199 /nfs/dbraw/zinc/97/31/99/973973199.db2.gz QHSLCAWYPJBLSU-NRFANRHFSA-N 1 1 408.477 3.615 20 30 HHEDMO C=CCN1CC[C@@H]([N@@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)C1=O ZINC000410375563 973973573 /nfs/dbraw/zinc/97/35/73/973973573.db2.gz QHSLCAWYPJBLSU-OAQYLSRUSA-N 1 1 408.477 3.615 20 30 HHEDMO C=CCN1CC[C@@H]([N@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)C1=O ZINC000410375563 973973584 /nfs/dbraw/zinc/97/35/84/973973584.db2.gz QHSLCAWYPJBLSU-OAQYLSRUSA-N 1 1 408.477 3.615 20 30 HHEDMO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[N@H+]1CCCC[C@H]1C ZINC000425940243 974049955 /nfs/dbraw/zinc/04/99/55/974049955.db2.gz ASKPBEOSEPMBHP-QZTJIDSGSA-N 1 1 420.513 3.668 20 30 HHEDMO CC[N@@H+](CCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)CCC(F)(F)F ZINC000426004977 974119979 /nfs/dbraw/zinc/11/99/79/974119979.db2.gz RFJICQZEPIDDEO-UHFFFAOYSA-N 1 1 417.316 3.787 20 30 HHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426561914 974529217 /nfs/dbraw/zinc/52/92/17/974529217.db2.gz YMKISRVWVUDXLB-FQEVSTJZSA-N 1 1 420.513 3.670 20 30 HHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426561915 974529385 /nfs/dbraw/zinc/52/93/85/974529385.db2.gz YMKISRVWVUDXLB-HXUWFJFHSA-N 1 1 420.513 3.670 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000428063400 975413626 /nfs/dbraw/zinc/41/36/26/975413626.db2.gz LXQFJIYPAINTFJ-UHFFFAOYSA-N 1 1 418.522 3.721 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)nc1 ZINC000428779898 976053525 /nfs/dbraw/zinc/05/35/25/976053525.db2.gz LYJIUMVQVBEHPL-JTHBVZDNSA-N 1 1 416.456 3.925 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)nc1 ZINC000428779898 976053537 /nfs/dbraw/zinc/05/35/37/976053537.db2.gz LYJIUMVQVBEHPL-JTHBVZDNSA-N 1 1 416.456 3.925 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)nc1 ZINC000428779884 976054264 /nfs/dbraw/zinc/05/42/64/976054264.db2.gz LYJIUMVQVBEHPL-FYYLOGMGSA-N 1 1 416.456 3.925 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)nc1 ZINC000428779884 976054279 /nfs/dbraw/zinc/05/42/79/976054279.db2.gz LYJIUMVQVBEHPL-FYYLOGMGSA-N 1 1 416.456 3.925 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)nc1 ZINC000428801525 976079283 /nfs/dbraw/zinc/07/92/83/976079283.db2.gz HWGBRRVZFMJYIL-VWNXMTODSA-N 1 1 415.493 3.513 20 30 HHEDMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)cc1 ZINC000428810045 976089037 /nfs/dbraw/zinc/08/90/37/976089037.db2.gz XMIIUMULVLNYQE-LJQANCHMSA-N 1 1 420.494 3.517 20 30 HHEDMO COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)cc1 ZINC000428810045 976089052 /nfs/dbraw/zinc/08/90/52/976089052.db2.gz XMIIUMULVLNYQE-LJQANCHMSA-N 1 1 420.494 3.517 20 30 HHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@@H](C)C1 ZINC000428988721 976270209 /nfs/dbraw/zinc/27/02/09/976270209.db2.gz CBMHHZOCSBJDHG-PDOICOKGSA-N 1 1 414.619 3.735 20 30 HHEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429035364 976318296 /nfs/dbraw/zinc/31/82/96/976318296.db2.gz LSMYAISLIKMBOF-DEOSSOPVSA-N 1 1 420.557 3.769 20 30 HHEDMO C=CCC[C@@H](NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000429079289 976364311 /nfs/dbraw/zinc/36/43/11/976364311.db2.gz AGGKSNFYIMPIDB-IFMALSPDSA-N 1 1 407.562 3.599 20 30 HHEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000429246493 976535536 /nfs/dbraw/zinc/53/55/36/976535536.db2.gz GRTMFTVACLBMPR-OAHLLOKOSA-N 1 1 412.534 3.787 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[N@@H+]1CCO ZINC000429351244 976615401 /nfs/dbraw/zinc/61/54/01/976615401.db2.gz DRVKJZIVTFVKRU-OAHLLOKOSA-N 1 1 414.893 3.534 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC[N@H+]1CCO ZINC000429351244 976615407 /nfs/dbraw/zinc/61/54/07/976615407.db2.gz DRVKJZIVTFVKRU-OAHLLOKOSA-N 1 1 414.893 3.534 20 30 HHEDMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000429395042 976669355 /nfs/dbraw/zinc/66/93/55/976669355.db2.gz AYFOSXMGVXPVHS-UKILVPOCSA-N 1 1 412.622 3.706 20 30 HHEDMO Cn1cc(C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)Cc2ccc(Cl)cc2)cn1 ZINC000430259272 977426511 /nfs/dbraw/zinc/42/65/11/977426511.db2.gz AKFOQHDVXZVPKB-UHFFFAOYSA-N 1 1 407.905 3.976 20 30 HHEDMO C=CC[N@H+](Cc1ccnn1-c1ccccc1OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000430743604 977722658 /nfs/dbraw/zinc/72/26/58/977722658.db2.gz RUXOTSFTXLVSPF-GOSISDBHSA-N 1 1 415.501 3.606 20 30 HHEDMO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccc(C#N)cc1F ZINC000432301752 978752395 /nfs/dbraw/zinc/75/23/95/978752395.db2.gz XDECCNCNQZMKFF-KZULUSFZSA-N 1 1 402.267 3.916 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432328412 978762840 /nfs/dbraw/zinc/76/28/40/978762840.db2.gz XEUVOYOLVGQUER-HXUWFJFHSA-N 1 1 418.541 3.790 20 30 HHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000432769419 978968341 /nfs/dbraw/zinc/96/83/41/978968341.db2.gz RWJHWXOBMDBQCX-LJQANCHMSA-N 1 1 410.562 3.839 20 30 HHEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000432849106 978991262 /nfs/dbraw/zinc/99/12/62/978991262.db2.gz ZFISNVWUPKSRBE-QHCPKHFHSA-N 1 1 406.486 3.919 20 30 HHEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000432867526 978996252 /nfs/dbraw/zinc/99/62/52/978996252.db2.gz SEVVMXJSHPNUDA-UHFFFAOYSA-N 1 1 408.502 3.925 20 30 HHEDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000432867526 978996254 /nfs/dbraw/zinc/99/62/54/978996254.db2.gz SEVVMXJSHPNUDA-UHFFFAOYSA-N 1 1 408.502 3.925 20 30 HHEDMO N#Cc1c(N)n[nH]c1CCCNc1cc(C2CC2)[nH+]c2c(Br)cccc12 ZINC000433026283 979046376 /nfs/dbraw/zinc/04/63/76/979046376.db2.gz DMKVYOBJHIIRNG-UHFFFAOYSA-N 1 1 411.307 4.096 20 30 HHEDMO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000433207224 979142257 /nfs/dbraw/zinc/14/22/57/979142257.db2.gz JQIZOJPRCLDUHU-SFHVURJKSA-N 1 1 419.504 3.940 20 30 HHEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)c1 ZINC000433298652 979222659 /nfs/dbraw/zinc/22/26/59/979222659.db2.gz APTWCBFYSLLGGO-IBGZPJMESA-N 1 1 412.331 3.502 20 30 HHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433320321 979234630 /nfs/dbraw/zinc/23/46/30/979234630.db2.gz RTTDDVKYOOHNCO-OXFYSEKESA-N 1 1 406.368 3.756 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1C ZINC000434389504 980133632 /nfs/dbraw/zinc/13/36/32/980133632.db2.gz HRZVEDKKSVCJTN-HXUWFJFHSA-N 1 1 416.529 3.824 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000434685383 980337947 /nfs/dbraw/zinc/33/79/47/980337947.db2.gz PPPWYEXIJCOFPG-QFIPXVFZSA-N 1 1 405.473 3.788 20 30 HHEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000434861498 980454607 /nfs/dbraw/zinc/45/46/07/980454607.db2.gz NQYMSNSIAMDFNU-NRFANRHFSA-N 1 1 420.538 3.740 20 30 HHEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434988639 980552687 /nfs/dbraw/zinc/55/26/87/980552687.db2.gz VCDIWZVGBVJOPW-GOSISDBHSA-N 1 1 406.559 3.799 20 30 HHEDMO CCc1ccc([C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CCO2)cc1 ZINC000434988524 980552738 /nfs/dbraw/zinc/55/27/38/980552738.db2.gz TVGLVNAYMVPBEJ-HSZRJFAPSA-N 1 1 401.514 3.995 20 30 HHEDMO CCc1ccc([C@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CCO2)cc1 ZINC000434988524 980552742 /nfs/dbraw/zinc/55/27/42/980552742.db2.gz TVGLVNAYMVPBEJ-HSZRJFAPSA-N 1 1 401.514 3.995 20 30 HHEDMO CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000435126155 980657448 /nfs/dbraw/zinc/65/74/48/980657448.db2.gz JOUVWPQAORAJPP-DEOSSOPVSA-N 1 1 414.557 3.955 20 30 HHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000435126155 980657452 /nfs/dbraw/zinc/65/74/52/980657452.db2.gz JOUVWPQAORAJPP-DEOSSOPVSA-N 1 1 414.557 3.955 20 30 HHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000435126155 980657457 /nfs/dbraw/zinc/65/74/57/980657457.db2.gz JOUVWPQAORAJPP-DEOSSOPVSA-N 1 1 414.557 3.955 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131002 980662364 /nfs/dbraw/zinc/66/23/64/980662364.db2.gz AHQSRNZQKAPAFA-RTWAWAEBSA-N 1 1 406.578 3.945 20 30 HHEDMO N#CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435132556 980663941 /nfs/dbraw/zinc/66/39/41/980663941.db2.gz KEEKCVYRRFZRKM-HXUWFJFHSA-N 1 1 414.513 3.709 20 30 HHEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000435132924 980664034 /nfs/dbraw/zinc/66/40/34/980664034.db2.gz NAMCYQFYEWMZMU-HNNXBMFYSA-N 1 1 400.429 3.898 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000435132924 980664037 /nfs/dbraw/zinc/66/40/37/980664037.db2.gz NAMCYQFYEWMZMU-HNNXBMFYSA-N 1 1 400.429 3.898 20 30 HHEDMO Cc1cc(NC(=O)N(CCC#N)CC2CC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435525242 980919857 /nfs/dbraw/zinc/91/98/57/980919857.db2.gz ITSYVRWRFJPVCQ-NRFANRHFSA-N 1 1 406.534 3.796 20 30 HHEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@@H](C)C1 ZINC000435544978 980932849 /nfs/dbraw/zinc/93/28/49/980932849.db2.gz HKADUTLPYKIKTL-PXNSSMCTSA-N 1 1 402.539 3.604 20 30 HHEDMO N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)nc1 ZINC000448201958 981614201 /nfs/dbraw/zinc/61/42/01/981614201.db2.gz IIRBGEFLIPMGSD-DENIHFKCSA-N 1 1 402.498 3.834 20 30 HHEDMO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448378404 981735514 /nfs/dbraw/zinc/73/55/14/981735514.db2.gz YYVXXDJYLRTDET-GBXCKJPGSA-N 1 1 400.526 3.962 20 30 HHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000448403163 981757020 /nfs/dbraw/zinc/75/70/20/981757020.db2.gz WTYYNHINSOKKBR-NZQKXSOJSA-N 1 1 422.573 3.981 20 30 HHEDMO CCCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437348229 981998857 /nfs/dbraw/zinc/99/88/57/981998857.db2.gz VDZAOZJSKJIBEY-OAQYLSRUSA-N 1 1 422.504 3.539 20 30 HHEDMO C=CCOc1ccccc1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460276090 982051749 /nfs/dbraw/zinc/05/17/49/982051749.db2.gz KDFGTLPCMXUKBI-PKTZIBPZSA-N 1 1 405.542 3.915 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460396248 982176714 /nfs/dbraw/zinc/17/67/14/982176714.db2.gz XMDJLQSCBUJDLL-IEBWSBKVSA-N 1 1 413.566 3.705 20 30 HHEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460547038 982333834 /nfs/dbraw/zinc/33/38/34/982333834.db2.gz WKRQPRKLABFDKO-KNQAVFIVSA-N 1 1 419.577 3.917 20 30 HHEDMO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000460567587 982352386 /nfs/dbraw/zinc/35/23/86/982352386.db2.gz OVGPJGFVQPHZIQ-HXUWFJFHSA-N 1 1 419.614 3.671 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000437899977 982448743 /nfs/dbraw/zinc/44/87/43/982448743.db2.gz WHEWTZRTFHXBDR-HXUWFJFHSA-N 1 1 406.530 3.588 20 30 HHEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460780795 982533591 /nfs/dbraw/zinc/53/35/91/982533591.db2.gz RTDGRNTXAMUWQO-OAQYLSRUSA-N 1 1 402.546 3.935 20 30 HHEDMO C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460790458 982543200 /nfs/dbraw/zinc/54/32/00/982543200.db2.gz CSDYVTVWDBSNNZ-LJQANCHMSA-N 1 1 413.566 3.925 20 30 HHEDMO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460805719 982558683 /nfs/dbraw/zinc/55/86/83/982558683.db2.gz NFTCSNWESUOETO-FYQPLNBISA-N 1 1 403.615 3.939 20 30 HHEDMO N#Cc1ccc(CN2CCCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000438135415 982606285 /nfs/dbraw/zinc/60/62/85/982606285.db2.gz APNACHXTGWTBIG-DEOSSOPVSA-N 1 1 423.605 3.573 20 30 HHEDMO N#Cc1ccc(CN2CCCN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000438135415 982606287 /nfs/dbraw/zinc/60/62/87/982606287.db2.gz APNACHXTGWTBIG-DEOSSOPVSA-N 1 1 423.605 3.573 20 30 HHEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460929166 982667333 /nfs/dbraw/zinc/66/73/33/982667333.db2.gz CVFIOUIGHZRHDV-QFIPXVFZSA-N 1 1 402.546 3.551 20 30 HHEDMO N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000438605576 982933282 /nfs/dbraw/zinc/93/32/82/982933282.db2.gz GVVNZFHWTNOYDF-UVKLAMSESA-N 1 1 418.541 3.672 20 30 HHEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000438645395 982963951 /nfs/dbraw/zinc/96/39/51/982963951.db2.gz KBAJPFAZTPOGTE-VBQJREDUSA-N 1 1 410.440 3.683 20 30 HHEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000438645395 982963954 /nfs/dbraw/zinc/96/39/54/982963954.db2.gz KBAJPFAZTPOGTE-VBQJREDUSA-N 1 1 410.440 3.683 20 30 HHEDMO N#CCC[C@@H](NC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000438845232 983112199 /nfs/dbraw/zinc/11/21/99/983112199.db2.gz ZKPZGXDUTFKQRW-XMMPIXPASA-N 1 1 419.573 3.539 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461449104 983113885 /nfs/dbraw/zinc/11/38/85/983113885.db2.gz PTIFSPZDVFYOGA-RTWAWAEBSA-N 1 1 406.526 3.854 20 30 HHEDMO CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000461478150 983135969 /nfs/dbraw/zinc/13/59/69/983135969.db2.gz GLBWKXFAVZWMIH-LJQANCHMSA-N 1 1 404.543 3.599 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1C#N ZINC000439284339 983344963 /nfs/dbraw/zinc/34/49/63/983344963.db2.gz MGUXWRMCGHIVEB-HSZRJFAPSA-N 1 1 420.557 3.854 20 30 HHEDMO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)c2)cc1 ZINC000439509110 983432697 /nfs/dbraw/zinc/43/26/97/983432697.db2.gz XQBSZZGJQWLXKX-LJQANCHMSA-N 1 1 406.486 3.537 20 30 HHEDMO CCCc1c(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000439682745 983499312 /nfs/dbraw/zinc/49/93/12/983499312.db2.gz FOMLAVHRLKCKOI-IBGZPJMESA-N 1 1 408.550 3.796 20 30 HHEDMO C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1Cl ZINC000440061551 983628657 /nfs/dbraw/zinc/62/86/57/983628657.db2.gz KVFNGCLQUOWCFE-PZJWPPBQSA-N 1 1 424.932 3.638 20 30 HHEDMO C[C@H]1C[N@H+](C2CCN(c3c(C#N)cnc4c(Br)cccc43)CC2)CCO1 ZINC000440635928 983831741 /nfs/dbraw/zinc/83/17/41/983831741.db2.gz DYBIUQRHGWXSAI-AWEZNQCLSA-N 1 1 415.335 3.558 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000441036501 984035431 /nfs/dbraw/zinc/03/54/31/984035431.db2.gz SITSNMMLNDGJOD-WZONZLPQSA-N 1 1 407.514 3.656 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000441036501 984035436 /nfs/dbraw/zinc/03/54/36/984035436.db2.gz SITSNMMLNDGJOD-WZONZLPQSA-N 1 1 407.514 3.656 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1 ZINC000441036494 984035621 /nfs/dbraw/zinc/03/56/21/984035621.db2.gz SITSNMMLNDGJOD-JPYJTQIMSA-N 1 1 407.514 3.656 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1 ZINC000441036494 984035631 /nfs/dbraw/zinc/03/56/31/984035631.db2.gz SITSNMMLNDGJOD-JPYJTQIMSA-N 1 1 407.514 3.656 20 30 HHEDMO N#Cc1cccc(-c2nnc(CN3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)o2)c1 ZINC000441252346 984139849 /nfs/dbraw/zinc/13/98/49/984139849.db2.gz JCWAWCLEHLPTLR-UHFFFAOYSA-N 1 1 407.905 3.970 20 30 HHEDMO N#Cc1cccc(-c2nnc(CN3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)o2)c1 ZINC000441252346 984139851 /nfs/dbraw/zinc/13/98/51/984139851.db2.gz JCWAWCLEHLPTLR-UHFFFAOYSA-N 1 1 407.905 3.970 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441272563 984152019 /nfs/dbraw/zinc/15/20/19/984152019.db2.gz AEXCSSYEHDDYQM-BRWVUGGUSA-N 1 1 401.576 3.964 20 30 HHEDMO C[C@@H](O)C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441273753 984152933 /nfs/dbraw/zinc/15/29/33/984152933.db2.gz XVNGHPHISUHEDK-HUUCEWRRSA-N 1 1 405.951 3.916 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441274388 984153410 /nfs/dbraw/zinc/15/34/10/984153410.db2.gz FJJCZQQYVSTHQS-RBUKOAKNSA-N 1 1 424.520 3.792 20 30 HHEDMO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000461704987 984721444 /nfs/dbraw/zinc/72/14/44/984721444.db2.gz REBAABXXRPNUCQ-UHFFFAOYSA-N 1 1 409.509 3.913 20 30 HHEDMO Cc1c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1CCC(C)C ZINC000442219869 984739183 /nfs/dbraw/zinc/73/91/83/984739183.db2.gz OLLYLASXRIHRLV-UHFFFAOYSA-N 1 1 408.550 3.849 20 30 HHEDMO Cc1c(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1CCC(C)C ZINC000442219869 984739187 /nfs/dbraw/zinc/73/91/87/984739187.db2.gz OLLYLASXRIHRLV-UHFFFAOYSA-N 1 1 408.550 3.849 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000462177812 985157235 /nfs/dbraw/zinc/15/72/35/985157235.db2.gz BBVOCPRBAAGFKI-FDDCHVKYSA-N 1 1 415.493 3.981 20 30 HHEDMO COc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)ccc1C#N ZINC000442849887 985246274 /nfs/dbraw/zinc/24/62/74/985246274.db2.gz OJZWKMDPXRFUPA-IBGZPJMESA-N 1 1 407.518 3.798 20 30 HHEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1cccs1 ZINC000462307971 985294131 /nfs/dbraw/zinc/29/41/31/985294131.db2.gz YVCACLBPWQZIOE-KDOFPFPSSA-N 1 1 409.964 3.635 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c(OC)c1 ZINC000462445029 985410719 /nfs/dbraw/zinc/41/07/19/985410719.db2.gz AYNRCYMYVOFZFA-WIYYLYMNSA-N 1 1 416.587 3.604 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[NH+]2CCN([C@H](C)c3ccsc3)CC2)c(OC)c1 ZINC000462445029 985410724 /nfs/dbraw/zinc/41/07/24/985410724.db2.gz AYNRCYMYVOFZFA-WIYYLYMNSA-N 1 1 416.587 3.604 20 30 HHEDMO C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCC1CCC(C#N)CC1)C1CCCCC1 ZINC000443333472 985501201 /nfs/dbraw/zinc/50/12/01/985501201.db2.gz QJZMUHRVWMGUGV-UHFFFAOYSA-N 1 1 410.562 3.836 20 30 HHEDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443379915 985539730 /nfs/dbraw/zinc/53/97/30/985539730.db2.gz ZLQCPAZPYUTYKQ-BEFAXECRSA-N 1 1 403.935 3.543 20 30 HHEDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443379918 985539842 /nfs/dbraw/zinc/53/98/42/985539842.db2.gz ZLQCPAZPYUTYKQ-DNVCBOLYSA-N 1 1 403.935 3.543 20 30 HHEDMO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(-n4c[nH+]c(C)c4C)cc3)CC2)o1 ZINC000462765787 985703538 /nfs/dbraw/zinc/70/35/38/985703538.db2.gz JPOKERHAIZBNJS-UHFFFAOYSA-N 1 1 404.474 3.512 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000462807410 985738745 /nfs/dbraw/zinc/73/87/45/985738745.db2.gz AYKMQOXFIHZJLH-VFNWGFHPSA-N 1 1 406.555 3.803 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCC(=O)OC(C)(C)C)sc2C1 ZINC000468136477 985803491 /nfs/dbraw/zinc/80/34/91/985803491.db2.gz OYRIBURYXIUJBD-CQSZACIVSA-N 1 1 405.564 3.737 20 30 HHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@@H](C)C1 ZINC000443662864 985864710 /nfs/dbraw/zinc/86/47/10/985864710.db2.gz VZERVXABRKJOBM-QYZOEREBSA-N 1 1 412.578 3.724 20 30 HHEDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000443891388 986091291 /nfs/dbraw/zinc/09/12/91/986091291.db2.gz GEOLFHZVCMBBSN-UZLBHIALSA-N 1 1 421.925 3.631 20 30 HHEDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000443891388 986091294 /nfs/dbraw/zinc/09/12/94/986091294.db2.gz GEOLFHZVCMBBSN-UZLBHIALSA-N 1 1 421.925 3.631 20 30 HHEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207050 986179195 /nfs/dbraw/zinc/17/91/95/986179195.db2.gz YPXHPLCBMPCLTA-PWRODBHTSA-N 1 1 422.491 3.579 20 30 HHEDMO Cc1nsc(N2CC[NH+](CCCCCn3c(C)nc4ccccc43)CC2)c1C#N ZINC000463210883 986182429 /nfs/dbraw/zinc/18/24/29/986182429.db2.gz HIIURZUMRYWEMO-UHFFFAOYSA-N 1 1 408.575 3.974 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000463275207 986241848 /nfs/dbraw/zinc/24/18/48/986241848.db2.gz URPXEEWVFSIVIF-AVRDEDQJSA-N 1 1 408.502 3.813 20 30 HHEDMO N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000444062775 986265107 /nfs/dbraw/zinc/26/51/07/986265107.db2.gz ARWHUKPMTFIAES-FQEVSTJZSA-N 1 1 421.925 3.607 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](COCc3ccccc3)C2)sc2c1CCC2 ZINC000444170800 986347275 /nfs/dbraw/zinc/34/72/75/986347275.db2.gz VDQFDMPMFRMATP-GOSISDBHSA-N 1 1 409.555 3.976 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000468916756 986623533 /nfs/dbraw/zinc/62/35/33/986623533.db2.gz KAQRTUQOKVMIRI-KRWDZBQOSA-N 1 1 419.554 3.984 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000468916756 986623542 /nfs/dbraw/zinc/62/35/42/986623542.db2.gz KAQRTUQOKVMIRI-KRWDZBQOSA-N 1 1 419.554 3.984 20 30 HHEDMO CCOC(=O)c1c(C)oc2nc(C[N@@H+](Cc3ccc(C#N)cc3)CC(C)C)nc(N)c21 ZINC000444588578 986775629 /nfs/dbraw/zinc/77/56/29/986775629.db2.gz DSNNHTDJWUEFKC-UHFFFAOYSA-N 1 1 421.501 3.820 20 30 HHEDMO CCOC(=O)c1c(C)oc2nc(C[N@H+](Cc3ccc(C#N)cc3)CC(C)C)nc(N)c21 ZINC000444588578 986775637 /nfs/dbraw/zinc/77/56/37/986775637.db2.gz DSNNHTDJWUEFKC-UHFFFAOYSA-N 1 1 421.501 3.820 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469091552 986805894 /nfs/dbraw/zinc/80/58/94/986805894.db2.gz XYAZCOGYQNBYHP-HSZRJFAPSA-N 1 1 424.495 3.540 20 30 HHEDMO C[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000469158677 986883336 /nfs/dbraw/zinc/88/33/36/986883336.db2.gz VWEGWWNYSMGXRN-SFHVURJKSA-N 1 1 400.482 3.950 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H](c4nccn4C)C3)sc2C1 ZINC000444791409 986946161 /nfs/dbraw/zinc/94/61/61/986946161.db2.gz BMFAGBNQRFAZDI-CVEARBPZSA-N 1 1 411.575 3.686 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000444796596 986951828 /nfs/dbraw/zinc/95/18/28/986951828.db2.gz AZMNTYZAKNQXOV-LJQANCHMSA-N 1 1 416.529 3.517 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@H+]1CC(C)(C)O ZINC000444815029 986968617 /nfs/dbraw/zinc/96/86/17/986968617.db2.gz DVGGFCPTKFASCO-QGZVFWFLSA-N 1 1 408.502 3.659 20 30 HHEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000444823626 986978710 /nfs/dbraw/zinc/97/87/10/986978710.db2.gz QSXHIMHLFQFHLX-KRWDZBQOSA-N 1 1 408.502 3.659 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469268407 986987859 /nfs/dbraw/zinc/98/78/59/986987859.db2.gz SRKBNGXRVGKMOY-QZTJIDSGSA-N 1 1 400.482 3.948 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469268407 986987867 /nfs/dbraw/zinc/98/78/67/986987867.db2.gz SRKBNGXRVGKMOY-QZTJIDSGSA-N 1 1 400.482 3.948 20 30 HHEDMO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@H+]1CC(C)(C)O ZINC000444842297 987001189 /nfs/dbraw/zinc/00/11/89/987001189.db2.gz YJZWLASQXUOWQG-KRWDZBQOSA-N 1 1 408.502 3.659 20 30 HHEDMO N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CSCC[N@@H+]3Cc3ccccc3)on2)c1 ZINC000469317879 987028958 /nfs/dbraw/zinc/02/89/58/987028958.db2.gz GDTZLCLHYHNGAC-HXUWFJFHSA-N 1 1 418.522 3.561 20 30 HHEDMO N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CSCC[N@H+]3Cc3ccccc3)on2)c1 ZINC000469317879 987028964 /nfs/dbraw/zinc/02/89/64/987028964.db2.gz GDTZLCLHYHNGAC-HXUWFJFHSA-N 1 1 418.522 3.561 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469338116 987044649 /nfs/dbraw/zinc/04/46/49/987044649.db2.gz NAVBPZPJSGIUJX-CVDCTZTESA-N 1 1 417.557 3.987 20 30 HHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000469437415 987123412 /nfs/dbraw/zinc/12/34/12/987123412.db2.gz YCGYCFRIHXSYEZ-BJKOFHAPSA-N 1 1 420.557 3.798 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000469736328 987386710 /nfs/dbraw/zinc/38/67/10/987386710.db2.gz WHWGKRRCBTXTEA-ZWKOTPCHSA-N 1 1 413.566 3.713 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000469736328 987386716 /nfs/dbraw/zinc/38/67/16/987386716.db2.gz WHWGKRRCBTXTEA-ZWKOTPCHSA-N 1 1 413.566 3.713 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@H](Oc3ccncc3)C1)CCCCC2 ZINC000469740841 987391378 /nfs/dbraw/zinc/39/13/78/987391378.db2.gz BMLBFBIFNPQLEA-KRWDZBQOSA-N 1 1 410.543 3.766 20 30 HHEDMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000469740130 987391542 /nfs/dbraw/zinc/39/15/42/987391542.db2.gz UQYNXFIGSMRJBW-MRXNPFEDSA-N 1 1 409.433 3.755 20 30 HHEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000469740130 987391549 /nfs/dbraw/zinc/39/15/49/987391549.db2.gz UQYNXFIGSMRJBW-MRXNPFEDSA-N 1 1 409.433 3.755 20 30 HHEDMO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000469754853 987408372 /nfs/dbraw/zinc/40/83/72/987408372.db2.gz ZPDXXFSWXZAEGY-NSHDSACASA-N 1 1 406.280 3.829 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000470553744 988568029 /nfs/dbraw/zinc/56/80/29/988568029.db2.gz QEVLRUBGVZKNNZ-SMIHKQSGSA-N 1 1 403.526 3.576 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000470553744 988568036 /nfs/dbraw/zinc/56/80/36/988568036.db2.gz QEVLRUBGVZKNNZ-SMIHKQSGSA-N 1 1 403.526 3.576 20 30 HHEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000464491667 988662998 /nfs/dbraw/zinc/66/29/98/988662998.db2.gz AZDFBMCVRGWQMF-ZWKOTPCHSA-N 1 1 403.498 3.515 20 30 HHEDMO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000464491667 988663005 /nfs/dbraw/zinc/66/30/05/988663005.db2.gz AZDFBMCVRGWQMF-ZWKOTPCHSA-N 1 1 403.498 3.515 20 30 HHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000464495597 988669040 /nfs/dbraw/zinc/66/90/40/988669040.db2.gz CBXNMBFFIPRVGM-INIZCTEOSA-N 1 1 417.575 3.881 20 30 HHEDMO N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)ccc21 ZINC000470779074 988831217 /nfs/dbraw/zinc/83/12/17/988831217.db2.gz KUSONZXEGCMDQL-HSZRJFAPSA-N 1 1 416.525 3.873 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000470962177 989025766 /nfs/dbraw/zinc/02/57/66/989025766.db2.gz VLUHIQLEQLSPFI-OPYAIIAOSA-N 1 1 421.459 3.982 20 30 HHEDMO CC[C@](C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nc(C)cs1 ZINC000464803797 989032559 /nfs/dbraw/zinc/03/25/59/989032559.db2.gz AHIATTQJGRGIOU-IBGZPJMESA-N 1 1 409.477 3.853 20 30 HHEDMO CC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1nc(C)cs1 ZINC000464805515 989035592 /nfs/dbraw/zinc/03/55/92/989035592.db2.gz MNPVWJFWFWNZIN-OAQYLSRUSA-N 1 1 417.579 3.632 20 30 HHEDMO COc1cc(NC(=O)CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1OC ZINC000464826093 989063442 /nfs/dbraw/zinc/06/34/42/989063442.db2.gz YSPMLJCQOKAVAV-PMACEKPBSA-N 1 1 423.513 3.813 20 30 HHEDMO COc1cc(NC(=O)CC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(OC)c1OC ZINC000464826093 989063451 /nfs/dbraw/zinc/06/34/51/989063451.db2.gz YSPMLJCQOKAVAV-PMACEKPBSA-N 1 1 423.513 3.813 20 30 HHEDMO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000471001145 989068511 /nfs/dbraw/zinc/06/85/11/989068511.db2.gz MNADFSVEYIMGST-FQEVSTJZSA-N 1 1 407.905 3.815 20 30 HHEDMO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464846493 989096188 /nfs/dbraw/zinc/09/61/88/989096188.db2.gz JVFIIOWGGOBSRK-LJQANCHMSA-N 1 1 410.949 3.994 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464846493 989096194 /nfs/dbraw/zinc/09/61/94/989096194.db2.gz JVFIIOWGGOBSRK-LJQANCHMSA-N 1 1 410.949 3.994 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000464853189 989106440 /nfs/dbraw/zinc/10/64/40/989106440.db2.gz FIVPQQUTUJAPQX-INIZCTEOSA-N 1 1 419.451 3.737 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+](C)CC12CCCCC2 ZINC000471038007 989112955 /nfs/dbraw/zinc/11/29/55/989112955.db2.gz INTKADCOBULZQN-GOSISDBHSA-N 1 1 400.592 3.827 20 30 HHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000464974091 989274127 /nfs/dbraw/zinc/27/41/27/989274127.db2.gz PXKMQQGVMAIVNK-UHFFFAOYSA-N 1 1 420.557 3.662 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464989331 989294868 /nfs/dbraw/zinc/29/48/68/989294868.db2.gz UWOYBQKONXYXMZ-QFIPXVFZSA-N 1 1 421.541 3.706 20 30 HHEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H](C)c1cccc(O)c1 ZINC000471171721 989298961 /nfs/dbraw/zinc/29/89/61/989298961.db2.gz ALCGQHPPPOUNRE-SFHVURJKSA-N 1 1 412.534 3.740 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H](C)c1cccc(O)c1 ZINC000471171721 989298974 /nfs/dbraw/zinc/29/89/74/989298974.db2.gz ALCGQHPPPOUNRE-SFHVURJKSA-N 1 1 412.534 3.740 20 30 HHEDMO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000471280335 989434257 /nfs/dbraw/zinc/43/42/57/989434257.db2.gz RYLMPBGIXMILIE-KRWDZBQOSA-N 1 1 400.429 3.803 20 30 HHEDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000465153281 989482887 /nfs/dbraw/zinc/48/28/87/989482887.db2.gz GBPACRIRWUMHEZ-HRAATJIYSA-N 1 1 405.502 3.661 20 30 HHEDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000465153286 989482902 /nfs/dbraw/zinc/48/29/02/989482902.db2.gz GBPACRIRWUMHEZ-IIBYNOLFSA-N 1 1 405.502 3.661 20 30 HHEDMO C[C@H]1C[NH+](Cc2ccccc2NCc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C)O1 ZINC000471626129 989833041 /nfs/dbraw/zinc/83/30/41/989833041.db2.gz OZRJNJPBQVQNDE-IRXDYDNUSA-N 1 1 403.486 3.830 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471747770 989942715 /nfs/dbraw/zinc/94/27/15/989942715.db2.gz NBDXEZZFRYNYKV-YADARESESA-N 1 1 400.526 3.789 20 30 HHEDMO Cc1ccc(N2CCC(NC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)[nH+]c1 ZINC000465577835 989947578 /nfs/dbraw/zinc/94/75/78/989947578.db2.gz ORBZHHGLTFGHJU-UHFFFAOYSA-N 1 1 416.447 3.729 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)C2)n1 ZINC000471800841 989985060 /nfs/dbraw/zinc/98/50/60/989985060.db2.gz SUFNMCYQDUHULK-HSZRJFAPSA-N 1 1 423.605 3.593 20 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ZINC000467046128 992355225 /nfs/dbraw/zinc/35/52/25/992355225.db2.gz MVWUXWCOEMZBKZ-RXVVDRJESA-N 1 1 407.514 3.505 20 30 HHEDMO COC[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC000467123505 992438751 /nfs/dbraw/zinc/43/87/51/992438751.db2.gz ZDJDWYGKKMERAG-LJQANCHMSA-N 1 1 424.545 3.661 20 30 HHEDMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467140460 992456730 /nfs/dbraw/zinc/45/67/30/992456730.db2.gz RMMYQTZOBPARDJ-CRAIPNDOSA-N 1 1 419.497 3.683 20 30 HHEDMO C[N@@H+](CCCSCC#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467274175 992595679 /nfs/dbraw/zinc/59/56/79/992595679.db2.gz FIYULFQWNFNJHU-UHFFFAOYSA-N 1 1 401.370 3.677 20 30 HHEDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000467296102 992622272 /nfs/dbraw/zinc/62/22/72/992622272.db2.gz YQJXSKMFCGKSMH-DPLHUUCSSA-N 1 1 420.509 3.919 20 30 HHEDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000467296102 992622275 /nfs/dbraw/zinc/62/22/75/992622275.db2.gz YQJXSKMFCGKSMH-DPLHUUCSSA-N 1 1 420.509 3.919 20 30 HHEDMO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2C#N)cc1Cl ZINC000467439809 992736520 /nfs/dbraw/zinc/73/65/20/992736520.db2.gz OBDISYZBVQMKKC-UHFFFAOYSA-N 1 1 414.314 3.606 20 30 HHEDMO C[C@@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C[N@H+]1Cc1ccccc1 ZINC000467486172 992774400 /nfs/dbraw/zinc/77/44/00/992774400.db2.gz NMQDUGYIGNFULR-PBHICJAKSA-N 1 1 400.429 3.944 20 30 HHEDMO Cc1nc(SCC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755814 993001172 /nfs/dbraw/zinc/00/11/72/993001172.db2.gz SRCLSCFNAGFJKN-YWZLYKJASA-N 1 1 408.571 3.750 20 30 HHEDMO COc1ccc([C@H]([NH2+]Cc2ccc(F)c(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000467767617 993009449 /nfs/dbraw/zinc/00/94/49/993009449.db2.gz GACJPIDAGDSSCK-QHCPKHFHSA-N 1 1 424.497 3.989 20 30 HHEDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCS1 ZINC000472249222 993275817 /nfs/dbraw/zinc/27/58/17/993275817.db2.gz HTYNLKPAQQYVDL-GOSISDBHSA-N 1 1 400.548 3.774 20 30 HHEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472254759 993281422 /nfs/dbraw/zinc/28/14/22/993281422.db2.gz GHHGIOPHRJQKQI-NHCUHLMSSA-N 1 1 412.534 3.572 20 30 HHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000472266099 993289810 /nfs/dbraw/zinc/28/98/10/993289810.db2.gz PYEQDSVAFCDQPR-WIYYLYMNSA-N 1 1 402.498 3.600 20 30 HHEDMO N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000472303152 993315923 /nfs/dbraw/zinc/31/59/23/993315923.db2.gz XAYSXAGYUBOTTG-JOCHJYFZSA-N 1 1 418.541 3.633 20 30 HHEDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000472322942 993333462 /nfs/dbraw/zinc/33/34/62/993333462.db2.gz GWTSQGPLWTXSLW-SJORKVTESA-N 1 1 416.591 3.548 20 30 HHEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000472355325 993355389 /nfs/dbraw/zinc/35/53/89/993355389.db2.gz WZXWJDVIULMSMO-SDHSZQHLSA-N 1 1 412.537 3.754 20 30 HHEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000472606985 993558652 /nfs/dbraw/zinc/55/86/52/993558652.db2.gz HJICQVLQTJYWGI-OFNKIYASSA-N 1 1 402.498 3.915 20 30 HHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000472606985 993558657 /nfs/dbraw/zinc/55/86/57/993558657.db2.gz HJICQVLQTJYWGI-OFNKIYASSA-N 1 1 402.498 3.915 20 30 HHEDMO CCOCCC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000472634787 993574999 /nfs/dbraw/zinc/57/49/99/993574999.db2.gz DCXSUXMLIJPZEN-UHFFFAOYSA-N 1 1 412.578 3.763 20 30 HHEDMO CC(C)OCC[NH+]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000472744126 993675738 /nfs/dbraw/zinc/67/57/38/993675738.db2.gz CEXKLYKWNQYHBN-UHFFFAOYSA-N 1 1 408.502 3.925 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 ZINC000481026242 993870820 /nfs/dbraw/zinc/87/08/20/993870820.db2.gz RFQZTNUPQOJAOZ-QGZVFWFLSA-N 1 1 415.534 3.691 20 30 HHEDMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481422195 994256461 /nfs/dbraw/zinc/25/64/61/994256461.db2.gz SJULFBXAHPYROZ-HJCIMTHYSA-N 1 1 411.525 3.558 20 30 HHEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473497002 994342796 /nfs/dbraw/zinc/34/27/96/994342796.db2.gz PTVZGUXBDRCFFU-CPJSRVTESA-N 1 1 403.526 3.840 20 30 HHEDMO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503783 994352127 /nfs/dbraw/zinc/35/21/27/994352127.db2.gz MULMWOPSUVCXTH-NBGIEHNGSA-N 1 1 403.526 3.840 20 30 HHEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000473513691 994366454 /nfs/dbraw/zinc/36/64/54/994366454.db2.gz OMQPXBGIVCAKKI-UHFFFAOYSA-N 1 1 404.558 3.624 20 30 HHEDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000473614431 994495409 /nfs/dbraw/zinc/49/54/09/994495409.db2.gz BUFVSMFMYWZQPW-OAQYLSRUSA-N 1 1 405.502 3.759 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000481631808 994498651 /nfs/dbraw/zinc/49/86/51/994498651.db2.gz YHYQZLFCXNYOKM-NRFANRHFSA-N 1 1 407.424 3.868 20 30 HHEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000473668062 994556452 /nfs/dbraw/zinc/55/64/52/994556452.db2.gz RKJLTJWFBQASNR-UHFFFAOYSA-N 1 1 421.545 3.888 20 30 HHEDMO N#Cc1ccc([C@@H]([NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)C(N)=O)cc1 ZINC000481750362 994603871 /nfs/dbraw/zinc/60/38/71/994603871.db2.gz OBTFONANDYTOIR-QZTJIDSGSA-N 1 1 402.267 3.727 20 30 HHEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c2ccccc21 ZINC000481839808 994693106 /nfs/dbraw/zinc/69/31/06/994693106.db2.gz USSHZJPEIJWXQZ-UHFFFAOYSA-N 1 1 416.529 3.545 20 30 HHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000481843161 994697884 /nfs/dbraw/zinc/69/78/84/994697884.db2.gz TUOVDFGWFGDDBB-XIRDDKMYSA-N 1 1 403.548 3.923 20 30 HHEDMO COc1cccc([C@H]2[C@@H](NC(=O)CSc3ccc(C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000482009343 994914449 /nfs/dbraw/zinc/91/44/49/994914449.db2.gz KGADPWPCQNGYJM-GMAHTHKFSA-N 1 1 407.539 3.753 20 30 HHEDMO C=CC[C@@H](C)NC(=O)CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000482202587 995184190 /nfs/dbraw/zinc/18/41/90/995184190.db2.gz ZUILVQOYQSEHHH-LJQANCHMSA-N 1 1 417.553 3.762 20 30 HHEDMO N#CC1(NC(=O)c2csc(Nc3ccccn3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000482557775 995565194 /nfs/dbraw/zinc/56/51/94/995565194.db2.gz RHYLOWQSTHZGEY-UHFFFAOYSA-N 1 1 418.526 3.570 20 30 HHEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000474792241 995712803 /nfs/dbraw/zinc/71/28/03/995712803.db2.gz VBDCEBBUOXOQQQ-IBGZPJMESA-N 1 1 422.598 3.606 20 30 HHEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC[C@@H]21 ZINC000482974575 995893533 /nfs/dbraw/zinc/89/35/33/995893533.db2.gz BFYNBOGDRSJGTE-KNQAVFIVSA-N 1 1 417.513 3.759 20 30 HHEDMO COc1ccc(C[N@H+](CCc2ccccn2)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000483065295 995950745 /nfs/dbraw/zinc/95/07/45/995950745.db2.gz AIFFMTNZHRCKAI-UHFFFAOYSA-N 1 1 400.482 3.645 20 30 HHEDMO COc1ccc(C[N@@H+](CCc2ccccn2)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000483065295 995950747 /nfs/dbraw/zinc/95/07/47/995950747.db2.gz AIFFMTNZHRCKAI-UHFFFAOYSA-N 1 1 400.482 3.645 20 30 HHEDMO C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000483099951 995973888 /nfs/dbraw/zinc/97/38/88/995973888.db2.gz FWYQMXRJZPUTCL-MAUKXSAKSA-N 1 1 421.419 3.544 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000483126961 995991883 /nfs/dbraw/zinc/99/18/83/995991883.db2.gz VXDNAVBHAYTOJD-QFBILLFUSA-N 1 1 410.543 3.568 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000483126961 995991886 /nfs/dbraw/zinc/99/18/86/995991886.db2.gz VXDNAVBHAYTOJD-QFBILLFUSA-N 1 1 410.543 3.568 20 30 HHEDMO C=C(C)[C@H](NC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000483280832 996078309 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ZINC000506282901 1001327084 /nfs/dbraw/zinc/32/70/84/1001327084.db2.gz PLKHLGBSZFEJHZ-HNNXBMFYSA-N 1 1 412.324 3.798 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](C(=O)OC)C2)cc1OCC ZINC000506282901 1001327092 /nfs/dbraw/zinc/32/70/92/1001327092.db2.gz PLKHLGBSZFEJHZ-HNNXBMFYSA-N 1 1 412.324 3.798 20 30 HHEDMO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1OCc1cccnc1 ZINC000506340574 1001365441 /nfs/dbraw/zinc/36/54/41/1001365441.db2.gz NNDXFKGTFSYFPJ-UHFFFAOYSA-N 1 1 414.509 3.863 20 30 HHEDMO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000506489008 1001436807 /nfs/dbraw/zinc/43/68/07/1001436807.db2.gz TVIHUNWMYSKDJD-GOSISDBHSA-N 1 1 412.509 3.792 20 30 HHEDMO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000506489008 1001436810 /nfs/dbraw/zinc/43/68/10/1001436810.db2.gz TVIHUNWMYSKDJD-GOSISDBHSA-N 1 1 412.509 3.792 20 30 HHEDMO Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507247641 1001931658 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20 30 HHEDMO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508491095 1002973556 /nfs/dbraw/zinc/97/35/56/1002973556.db2.gz FLPWGCWGVYCCQK-WZONZLPQSA-N 1 1 416.573 3.989 20 30 HHEDMO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000508507686 1002989801 /nfs/dbraw/zinc/98/98/01/1002989801.db2.gz UOHBNKWTMBQNSK-UHFFFAOYSA-N 1 1 418.545 3.555 20 30 HHEDMO C=CCn1c(-c2sc3ccccc3c2Cl)nnc1N1CC[NH+](CCOC)CC1 ZINC000508701999 1003139189 /nfs/dbraw/zinc/13/91/89/1003139189.db2.gz XWAUEZNYUIUFNH-UHFFFAOYSA-N 1 1 417.966 3.768 20 30 HHEDMO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508823178 1003246587 /nfs/dbraw/zinc/24/65/87/1003246587.db2.gz CAFISVMOAHQDGO-UHFFFAOYSA-N 1 1 401.873 3.839 20 30 HHEDMO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508853991 1003273960 /nfs/dbraw/zinc/27/39/60/1003273960.db2.gz AQXUPCGLNKWMLD-INIZCTEOSA-N 1 1 405.493 3.901 20 30 HHEDMO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 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/nfs/dbraw/zinc/86/28/13/1003862813.db2.gz DPOZQKYBUHHIOM-ZLNRFVROSA-N 1 1 411.509 3.951 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511886518 1003862988 /nfs/dbraw/zinc/86/29/88/1003862988.db2.gz DPOZQKYBUHHIOM-ZRBLBEILSA-N 1 1 411.509 3.951 20 30 HHEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000509555628 1003942407 /nfs/dbraw/zinc/94/24/07/1003942407.db2.gz JHOGBVXUTHERDK-FQEVSTJZSA-N 1 1 400.542 3.685 20 30 HHEDMO CCC[N@@H+](C)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000509641238 1003999689 /nfs/dbraw/zinc/99/96/89/1003999689.db2.gz OTVLVRVTQJBELR-HXUWFJFHSA-N 1 1 405.951 3.714 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512203844 1004105343 /nfs/dbraw/zinc/10/53/43/1004105343.db2.gz QUYWXPSYSIHIHV-CQSZACIVSA-N 1 1 421.526 3.660 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512203844 1004105351 /nfs/dbraw/zinc/10/53/51/1004105351.db2.gz QUYWXPSYSIHIHV-CQSZACIVSA-N 1 1 421.526 3.660 20 30 HHEDMO COCc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000501046849 1004148339 /nfs/dbraw/zinc/14/83/39/1004148339.db2.gz BOIFCCAGSRQKOW-NRFANRHFSA-N 1 1 414.347 3.978 20 30 HHEDMO Cc1oc(NC(=O)[C@@H](C)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C#N)c1C ZINC000512285412 1004188263 /nfs/dbraw/zinc/18/82/63/1004188263.db2.gz IBRVMSHGEZSOHG-KOSHJBKYSA-N 1 1 406.530 3.693 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H](N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)C2=O)cc1 ZINC000512292356 1004195901 /nfs/dbraw/zinc/19/59/01/1004195901.db2.gz GWJLLPKMPUFPGC-RSXGOPAZSA-N 1 1 414.553 3.652 20 30 HHEDMO C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000512317498 1004212898 /nfs/dbraw/zinc/21/28/98/1004212898.db2.gz CBVOTCZMOWGYOG-UHFFFAOYSA-N 1 1 421.541 3.919 20 30 HHEDMO C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000512317498 1004212906 /nfs/dbraw/zinc/21/29/06/1004212906.db2.gz CBVOTCZMOWGYOG-UHFFFAOYSA-N 1 1 421.541 3.919 20 30 HHEDMO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCc2ccccc2C1 ZINC000512318825 1004214336 /nfs/dbraw/zinc/21/43/36/1004214336.db2.gz SJAPXNTZYUEZGO-NRFANRHFSA-N 1 1 400.444 3.662 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000512347388 1004235808 /nfs/dbraw/zinc/23/58/08/1004235808.db2.gz OYKKRGOWYVQGHB-UWJYYQICSA-N 1 1 409.555 3.859 20 30 HHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000512347388 1004235815 /nfs/dbraw/zinc/23/58/15/1004235815.db2.gz OYKKRGOWYVQGHB-UWJYYQICSA-N 1 1 409.555 3.859 20 30 HHEDMO C[NH+]1CCN([C@H](C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c2ccccc2)CC1 ZINC000501170747 1004252198 /nfs/dbraw/zinc/25/21/98/1004252198.db2.gz CQDHFHBHWFXFSW-NRFANRHFSA-N 1 1 417.538 3.609 20 30 HHEDMO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000510021895 1004270895 /nfs/dbraw/zinc/27/08/95/1004270895.db2.gz AZPKSTSFOUHZLS-FQEVSTJZSA-N 1 1 412.921 3.839 20 30 HHEDMO N#Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c1F 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XPGXWQKCBWDEPP-UHFFFAOYSA-N 1 1 416.909 3.647 20 30 HHEDMO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000588666761 1073083664 /nfs/dbraw/zinc/08/36/64/1073083664.db2.gz WVEGAVJSIGFICU-ILBGXUMGSA-N 1 1 400.526 3.853 20 30 HHEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 ZINC000555296620 1073327890 /nfs/dbraw/zinc/32/78/90/1073327890.db2.gz SYFQQAFZFWPKCM-ZFWWWQNUSA-N 1 1 414.859 3.607 20 30 HHEDMO C=CCOCC[NH+]1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000555404148 1073427174 /nfs/dbraw/zinc/42/71/74/1073427174.db2.gz BJNSODRJVVIAEC-OAHLLOKOSA-N 1 1 410.440 3.637 20 30 HHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 ZINC000555953063 1074000555 /nfs/dbraw/zinc/00/05/55/1074000555.db2.gz WEHXKHWDLZJIDY-UHFFFAOYSA-N 1 1 412.559 3.624 20 30 HHEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000573393356 1074396830 /nfs/dbraw/zinc/39/68/30/1074396830.db2.gz VVSLZQIIGCZOCX-UHFFFAOYSA-N 1 1 411.598 3.593 20 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C=CC[N@H+](CCC(=O)NCc1ccccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596337700 1075554754 /nfs/dbraw/zinc/55/47/54/1075554754.db2.gz LHTGDHOQZGIAOD-QGZVFWFLSA-N 1 1 424.936 3.571 20 30 HHEDMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N ZINC001545672255 1075695525 /nfs/dbraw/zinc/69/55/25/1075695525.db2.gz GSOXEOYEYINVCX-DLBZAZTESA-N 1 1 402.974 3.848 20 30 HHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2 ZINC001164647531 719311835 /nfs/dbraw/zinc/31/18/35/719311835.db2.gz CGMBRJJJPCCSTQ-UHFFFAOYSA-N 1 1 408.884 3.553 20 30 HHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001164815387 720076506 /nfs/dbraw/zinc/07/65/06/720076506.db2.gz YXGAXZDGZMQWBT-PXDATVDWSA-N 1 1 420.532 3.944 20 30 HHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001164815386 720077056 /nfs/dbraw/zinc/07/70/56/720077056.db2.gz YXGAXZDGZMQWBT-OFVILXPXSA-N 1 1 420.532 3.944 20 30 HHEDMO 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421.541 3.950 20 30 HHEDMO CC(C)(C)c1ccccc1OCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023753300 963884901 /nfs/dbraw/zinc/88/49/01/963884901.db2.gz ABHVHVMGPIKHPX-UHFFFAOYSA-N 1 1 405.542 3.969 20 30 HHEDMO CC(C)(C)c1ccccc1OCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023753300 963884906 /nfs/dbraw/zinc/88/49/06/963884906.db2.gz ABHVHVMGPIKHPX-UHFFFAOYSA-N 1 1 405.542 3.969 20 30 HHEDMO Cc1nc(SCC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC000024992946 964132434 /nfs/dbraw/zinc/13/24/34/964132434.db2.gz LEQNNABNXMPIIU-UHFFFAOYSA-N 1 1 408.571 3.705 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025359558 964250339 /nfs/dbraw/zinc/25/03/39/964250339.db2.gz OWOMOQQTKFAVAI-NRFANRHFSA-N 1 1 408.546 3.659 20 30 HHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000025698508 964336878 /nfs/dbraw/zinc/33/68/78/964336878.db2.gz MDHAXPFLGRUWPG-QUCCMNQESA-N 1 1 420.340 3.616 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000051050622 964450796 /nfs/dbraw/zinc/45/07/96/964450796.db2.gz DPGOVDHBHGIYKA-FPOVZHCZSA-N 1 1 412.578 3.567 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000051050622 964450802 /nfs/dbraw/zinc/45/08/02/964450802.db2.gz DPGOVDHBHGIYKA-FPOVZHCZSA-N 1 1 412.578 3.567 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051053846 964452466 /nfs/dbraw/zinc/45/24/66/964452466.db2.gz MCQLGZUZHCJQDA-YQQAZPJKSA-N 1 1 404.942 3.555 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051053846 964452472 /nfs/dbraw/zinc/45/24/72/964452472.db2.gz MCQLGZUZHCJQDA-YQQAZPJKSA-N 1 1 404.942 3.555 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051056262 964453684 /nfs/dbraw/zinc/45/36/84/964453684.db2.gz HLJMZDTZBBELKR-SFTDATJTSA-N 1 1 412.578 3.567 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cn3cc(Br)ccc3n2)CC1 ZINC000051852258 964721373 /nfs/dbraw/zinc/72/13/73/964721373.db2.gz HUUHTWLGLYFMGM-UHFFFAOYSA-N 1 1 410.319 3.681 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cn3cc(Br)ccc3n2)CC1 ZINC000051852258 964721381 /nfs/dbraw/zinc/72/13/81/964721381.db2.gz HUUHTWLGLYFMGM-UHFFFAOYSA-N 1 1 410.319 3.681 20 30 HHEDMO C[C@@H](c1ccccc1Cl)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000029686777 965457923 /nfs/dbraw/zinc/45/79/23/965457923.db2.gz IHGMEDKUQUEHTE-HNNXBMFYSA-N 1 1 402.951 3.981 20 30 HHEDMO CCOc1ccc(OC(C)(C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029985892 965584528 /nfs/dbraw/zinc/58/45/28/965584528.db2.gz KHQLUGBOJWKGRT-UHFFFAOYSA-N 1 1 421.541 3.849 20 30 HHEDMO CCOc1ccc(OC(C)(C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029985892 965584551 /nfs/dbraw/zinc/58/45/51/965584551.db2.gz KHQLUGBOJWKGRT-UHFFFAOYSA-N 1 1 421.541 3.849 20 30 HHEDMO CC(C)[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1ccc(C#N)cc1 ZINC000058397225 965719661 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HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)C1 ZINC000062047244 966606972 /nfs/dbraw/zinc/60/69/72/966606972.db2.gz SDPAJKANQWEYRF-MRXNPFEDSA-N 1 1 424.932 3.698 20 30 HHEDMO Cc1nc(SCC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000062231255 966628101 /nfs/dbraw/zinc/62/81/01/966628101.db2.gz PYRJSDSZTZFIPH-OAQYLSRUSA-N 1 1 422.598 3.999 20 30 HHEDMO CSc1cccc(NC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000042643470 966818903 /nfs/dbraw/zinc/81/89/03/966818903.db2.gz JVCWDQNPPPTQKH-GOSISDBHSA-N 1 1 408.571 3.815 20 30 HHEDMO CC[N@H+](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741722 966839957 /nfs/dbraw/zinc/83/99/57/966839957.db2.gz SMPBJTNQYGVJET-IBGZPJMESA-N 1 1 406.530 3.621 20 30 HHEDMO CC[N@@H+](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741722 966839964 /nfs/dbraw/zinc/83/99/64/966839964.db2.gz SMPBJTNQYGVJET-IBGZPJMESA-N 1 1 406.530 3.621 20 30 HHEDMO CC[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741068 966840261 /nfs/dbraw/zinc/84/02/61/966840261.db2.gz SXLQHQCRTDQQLH-INIZCTEOSA-N 1 1 401.457 3.901 20 30 HHEDMO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000553895838 1013683233 /nfs/dbraw/zinc/68/32/33/1013683233.db2.gz QLJWJNKBDRGRFU-HRAATJIYSA-N 1 1 415.331 3.863 20 30 HHEDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000553895838 1013683240 /nfs/dbraw/zinc/68/32/40/1013683240.db2.gz QLJWJNKBDRGRFU-HRAATJIYSA-N 1 1 415.331 3.863 20 30 HHEDMO CC(C)[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(C#N)cc1 ZINC000063751204 966946426 /nfs/dbraw/zinc/94/64/26/966946426.db2.gz CSMPWWIRZOLMKR-UHFFFAOYSA-N 1 1 408.546 3.563 20 30 HHEDMO COC(=O)c1c(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)sc2c1CCC2 ZINC000063750841 966946470 /nfs/dbraw/zinc/94/64/70/966946470.db2.gz UNTNJUFUEJKADT-UHFFFAOYSA-N 1 1 411.527 3.744 20 30 HHEDMO COC(=O)c1c(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)sc2c1CCC2 ZINC000063750841 966946475 /nfs/dbraw/zinc/94/64/75/966946475.db2.gz UNTNJUFUEJKADT-UHFFFAOYSA-N 1 1 411.527 3.744 20 30 HHEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)nc1 ZINC000064248541 967105137 /nfs/dbraw/zinc/10/51/37/967105137.db2.gz WTCVLXAFQROWDI-UHFFFAOYSA-N 1 1 402.473 3.994 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000553923484 1013703890 /nfs/dbraw/zinc/70/38/90/1013703890.db2.gz SIPTVPLMNOTTPV-OAHLLOKOSA-N 1 1 407.396 3.602 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000553923484 1013703896 /nfs/dbraw/zinc/70/38/96/1013703896.db2.gz SIPTVPLMNOTTPV-OAHLLOKOSA-N 1 1 407.396 3.602 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000045787390 967552578 /nfs/dbraw/zinc/55/25/78/967552578.db2.gz RDSVWNWXGJQVED-KDURUIRLSA-N 1 1 406.530 3.509 20 30 HHEDMO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1 ZINC000553987198 1013738916 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ICKSRCDUTMVWRD-OAHLLOKOSA-N 1 1 412.456 3.989 20 30 HHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000448406906 981760228 /nfs/dbraw/zinc/76/02/28/981760228.db2.gz XNWDNHZLAINDOI-FQEVSTJZSA-N 1 1 412.578 3.990 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+](Cc3ccc(F)cc3)C3CCOCC3)C2=O)cc1 ZINC000448511083 981840997 /nfs/dbraw/zinc/84/09/97/981840997.db2.gz RKYYBBZGUBZCNE-QHCPKHFHSA-N 1 1 407.489 3.874 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+](Cc3ccc(F)cc3)C3CCOCC3)C2=O)cc1 ZINC000448511082 981841173 /nfs/dbraw/zinc/84/11/73/981841173.db2.gz RKYYBBZGUBZCNE-HSZRJFAPSA-N 1 1 407.489 3.874 20 30 HHEDMO CCCN(C(=O)C(=O)Nc1cccc(C)c1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437328378 981980005 /nfs/dbraw/zinc/98/00/05/981980005.db2.gz BRYRNOXLHOWQRK-OAQYLSRUSA-N 1 1 418.541 3.708 20 30 HHEDMO CCn1c(-c2ccc(C)s2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460209832 981985214 /nfs/dbraw/zinc/98/52/14/981985214.db2.gz GUXMLQDTEHUAQX-UHFFFAOYSA-N 1 1 406.559 3.919 20 30 HHEDMO 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XRKLXGUQRUMSSO-UHFFFAOYSA-N 1 1 423.561 3.747 20 30 HHEDMO CCOCCCn1c([C@H](C)CC)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460795132 982547780 /nfs/dbraw/zinc/54/77/80/982547780.db2.gz YOGVQSVDKBACIU-HXUWFJFHSA-N 1 1 424.593 3.802 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000438051296 982552773 /nfs/dbraw/zinc/55/27/73/982552773.db2.gz GKUYMHLAOHAMGJ-UHOSZYNNSA-N 1 1 411.468 3.560 20 30 HHEDMO C[C@@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460882806 982622011 /nfs/dbraw/zinc/62/20/11/982622011.db2.gz MLDINBJJJYLNGM-HXUWFJFHSA-N 1 1 421.589 3.811 20 30 HHEDMO C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460882806 982622014 /nfs/dbraw/zinc/62/20/14/982622014.db2.gz MLDINBJJJYLNGM-HXUWFJFHSA-N 1 1 421.589 3.811 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000438659217 982977004 /nfs/dbraw/zinc/97/70/04/982977004.db2.gz XQOIBBSFRGUZMM-KNQAVFIVSA-N 1 1 421.541 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ZINC000438858442 983124268 /nfs/dbraw/zinc/12/42/68/983124268.db2.gz OFORLWDKZNDVNT-WZONZLPQSA-N 1 1 405.546 3.704 20 30 HHEDMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)cc(OC)c1 ZINC000438858959 983124934 /nfs/dbraw/zinc/12/49/34/983124934.db2.gz OSYYWMKLCFHAAK-NFBKMPQASA-N 1 1 422.529 3.622 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)cc(OC)c1 ZINC000438858959 983124941 /nfs/dbraw/zinc/12/49/41/983124941.db2.gz OSYYWMKLCFHAAK-NFBKMPQASA-N 1 1 422.529 3.622 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000439231761 983321511 /nfs/dbraw/zinc/32/15/11/983321511.db2.gz WBFADEKWFOLGHR-GOSISDBHSA-N 1 1 417.962 3.744 20 30 HHEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000439328175 983367325 /nfs/dbraw/zinc/36/73/25/983367325.db2.gz WXRWTRWXZKMQJA-HJNYFJLDSA-N 1 1 422.598 3.725 20 30 HHEDMO N#Cc1ccc(C[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000439429193 983405182 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C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000464844143 989093205 /nfs/dbraw/zinc/09/32/05/989093205.db2.gz DWLFIGPECJMESF-LJQANCHMSA-N 1 1 422.598 3.891 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464849597 989102562 /nfs/dbraw/zinc/10/25/62/989102562.db2.gz NZBSDEWREMMROC-PKOBYXMFSA-N 1 1 422.598 3.889 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCOCc2ccccc2)c1C#N ZINC000464850353 989102743 /nfs/dbraw/zinc/10/27/43/989102743.db2.gz JVEREYHFCFBHJG-UHFFFAOYSA-N 1 1 420.513 3.705 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCOCc2ccccc2)c1C#N ZINC000464850353 989102748 /nfs/dbraw/zinc/10/27/48/989102748.db2.gz JVEREYHFCFBHJG-UHFFFAOYSA-N 1 1 420.513 3.705 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1C#N ZINC000464851902 989105116 /nfs/dbraw/zinc/10/51/16/989105116.db2.gz MVWSYLYEGSSGIF-UTKZUKDTSA-N 1 1 410.493 3.544 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000464853433 989106292 /nfs/dbraw/zinc/10/62/92/989106292.db2.gz DRQIFMFBHVVYNU-WPTTZPOMSA-N 1 1 412.335 3.725 20 30 HHEDMO C[N@H+]1CC[C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471087350 989183313 /nfs/dbraw/zinc/18/33/13/989183313.db2.gz SYICMCNEAODACS-XQBPLPMBSA-N 1 1 424.907 3.842 20 30 HHEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000464970557 989271736 /nfs/dbraw/zinc/27/17/36/989271736.db2.gz GLBYBFSZPUKTAR-LJQANCHMSA-N 1 1 420.557 3.662 20 30 HHEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471388432 989568125 /nfs/dbraw/zinc/56/81/25/989568125.db2.gz PETWLINZFMTQGD-ZDXQCDESSA-N 1 1 403.526 3.552 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000465534377 989896516 /nfs/dbraw/zinc/89/65/16/989896516.db2.gz QEEZNQCIRPSEHT-DNQXCXABSA-N 1 1 402.542 3.916 20 30 HHEDMO C[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000465652171 990038774 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DHZGANYYKBMSKA-YFXJRYMSSA-N 1 1 406.530 3.598 20 30 HHEDMO CC[C@H](NC(=O)N[C@H](C)c1ccc(C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471951325 990115165 /nfs/dbraw/zinc/11/51/65/990115165.db2.gz DHZGANYYKBMSKA-YFXJRYMSSA-N 1 1 406.530 3.598 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1c1ccccc1 ZINC000471957430 990122217 /nfs/dbraw/zinc/12/22/17/990122217.db2.gz VFLMFPKFEZXESX-GHTZIAJQSA-N 1 1 420.904 3.964 20 30 HHEDMO C=CCc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc(OC)c1OC ZINC000465821357 990204397 /nfs/dbraw/zinc/20/43/97/990204397.db2.gz UDSWHGGGDJIHOV-UXHICEINSA-N 1 1 401.551 3.589 20 30 HHEDMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)CC2)[nH+]1 ZINC000465974311 991126976 /nfs/dbraw/zinc/12/69/76/991126976.db2.gz AKANNCYKDMUKHV-VXKWHMMOSA-N 1 1 403.530 3.840 20 30 HHEDMO C[C@@H]1C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466522586 991816287 /nfs/dbraw/zinc/81/62/87/991816287.db2.gz NLRWJGIAKLTJCP-KNQAVFIVSA-N 1 1 418.541 3.774 20 30 HHEDMO N#CCCCOc1cccnc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000466602183 991918212 /nfs/dbraw/zinc/91/82/12/991918212.db2.gz VQGGQSOYSCBAFL-QGZVFWFLSA-N 1 1 413.547 3.859 20 30 HHEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466611530 991928163 /nfs/dbraw/zinc/92/81/63/991928163.db2.gz VAHUNUGZBRQACW-QUCCMNQESA-N 1 1 407.518 3.939 20 30 HHEDMO CC[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000466622495 991938627 /nfs/dbraw/zinc/93/86/27/991938627.db2.gz YVYZZXDETRFUSY-FQEVSTJZSA-N 1 1 407.518 3.723 20 30 HHEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000467126271 992442823 /nfs/dbraw/zinc/44/28/23/992442823.db2.gz QDBBFBDNIBXLKL-WMLDXEAASA-N 1 1 423.460 3.518 20 30 HHEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000467126271 992442831 /nfs/dbraw/zinc/44/28/31/992442831.db2.gz QDBBFBDNIBXLKL-WMLDXEAASA-N 1 1 423.460 3.518 20 30 HHEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC(F)(F)F)c(Br)c2)C1=O ZINC000467524171 992800042 /nfs/dbraw/zinc/80/00/42/992800042.db2.gz ZESSVNBLESHXBN-ZDUSSCGKSA-N 1 1 407.230 3.566 20 30 HHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)(F)F)c(Br)c2)C1=O ZINC000467524171 992800055 /nfs/dbraw/zinc/80/00/55/992800055.db2.gz ZESSVNBLESHXBN-ZDUSSCGKSA-N 1 1 407.230 3.566 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]2CN2CCCC2)c1C#N ZINC000472243577 993271078 /nfs/dbraw/zinc/27/10/78/993271078.db2.gz SCILGGSHIYQMDC-FQEVSTJZSA-N 1 1 423.561 3.507 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]2CN2CCCC2)c1C#N ZINC000472243577 993271086 /nfs/dbraw/zinc/27/10/86/993271086.db2.gz SCILGGSHIYQMDC-FQEVSTJZSA-N 1 1 423.561 3.507 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1C#N ZINC000472253195 993279478 /nfs/dbraw/zinc/27/94/78/993279478.db2.gz AYFAAFIPJZLJJI-IRXDYDNUSA-N 1 1 400.548 3.772 20 30 HHEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000472440169 993443480 /nfs/dbraw/zinc/44/34/80/993443480.db2.gz WNBGAOAHAVPQPP-RTBURBONSA-N 1 1 408.546 3.754 20 30 HHEDMO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000472753368 993688997 /nfs/dbraw/zinc/68/89/97/993688997.db2.gz RKDLUOOKTRQFLU-KRWDZBQOSA-N 1 1 400.486 3.551 20 30 HHEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184757 994016061 /nfs/dbraw/zinc/01/60/61/994016061.db2.gz FLNKXXVDEOVSJW-HFMPRLQTSA-N 1 1 404.558 3.822 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184757 994016068 /nfs/dbraw/zinc/01/60/68/994016068.db2.gz FLNKXXVDEOVSJW-HFMPRLQTSA-N 1 1 404.558 3.822 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000473305174 994162845 /nfs/dbraw/zinc/16/28/45/994162845.db2.gz JTWNTBOWJHJZOR-QGZVFWFLSA-N 1 1 406.555 3.804 20 30 HHEDMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000481402154 994235782 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N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000541088251 1011731489 /nfs/dbraw/zinc/73/14/89/1011731489.db2.gz IGPKSOMUIAKPEZ-LJQANCHMSA-N 1 1 403.404 3.979 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000541088251 1011731495 /nfs/dbraw/zinc/73/14/95/1011731495.db2.gz IGPKSOMUIAKPEZ-LJQANCHMSA-N 1 1 403.404 3.979 20 30 HHEDMO CC[N@@H+](CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1)CC1CC1 ZINC000536606636 1011766964 /nfs/dbraw/zinc/76/69/64/1011766964.db2.gz SGDOHCABBSMQLF-UHFFFAOYSA-N 1 1 416.953 3.511 20 30 HHEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000523499335 1012020339 /nfs/dbraw/zinc/02/03/39/1012020339.db2.gz IWTOWOWCFFTYDR-GASCZTMLSA-N 1 1 414.468 3.888 20 30 HHEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000523499335 1012020360 /nfs/dbraw/zinc/02/03/60/1012020360.db2.gz IWTOWOWCFFTYDR-GASCZTMLSA-N 1 1 414.468 3.888 20 30 HHEDMO COc1cccc([C@H]2[C@H](NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC[N@H+]2C2CC2)c1 ZINC000552149124 1012171465 /nfs/dbraw/zinc/17/14/65/1012171465.db2.gz TXXQCGJJRIYGBC-PKTZIBPZSA-N 1 1 419.500 3.832 20 30 HHEDMO N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000552199215 1012210933 /nfs/dbraw/zinc/21/09/33/1012210933.db2.gz QNPRLKUBVJZHTI-NRFANRHFSA-N 1 1 417.465 3.549 20 30 HHEDMO CC(C)[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)N1CC[NH+](C)CC1 ZINC000552280245 1012294160 /nfs/dbraw/zinc/29/41/60/1012294160.db2.gz ZVZZQELOJVHWAK-HSZRJFAPSA-N 1 1 421.545 3.744 20 30 HHEDMO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1c(C)noc1C ZINC000541649314 1012471518 /nfs/dbraw/zinc/47/15/18/1012471518.db2.gz QKIPGHBKSGUXRU-IBGZPJMESA-N 1 1 409.490 3.902 20 30 HHEDMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000537108807 1012480819 /nfs/dbraw/zinc/48/08/19/1012480819.db2.gz KMEHRGJFUDQJSH-QZTJIDSGSA-N 1 1 423.536 3.517 20 30 HHEDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000552461187 1012487075 /nfs/dbraw/zinc/48/70/75/1012487075.db2.gz JDVLPMCWKXYZAB-UHFFFAOYSA-N 1 1 405.546 3.872 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000552479341 1012505116 /nfs/dbraw/zinc/50/51/16/1012505116.db2.gz PAICCTZKADVCLK-ZWKOTPCHSA-N 1 1 401.580 3.703 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000552479341 1012505129 /nfs/dbraw/zinc/50/51/29/1012505129.db2.gz PAICCTZKADVCLK-ZWKOTPCHSA-N 1 1 401.580 3.703 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)C[NH2+]C1(c3ccc4c(c3)OCO4)CC1)CCCCC2 ZINC000537128792 1012513155 /nfs/dbraw/zinc/51/31/55/1012513155.db2.gz VJSBFYOUKROMPW-UHFFFAOYSA-N 1 1 409.511 3.835 20 30 HHEDMO Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc2)c(C)c1 ZINC000537157402 1012554684 /nfs/dbraw/zinc/55/46/84/1012554684.db2.gz DPVPJNLPBGYJBY-HSZRJFAPSA-N 1 1 419.550 3.985 20 30 HHEDMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537161560 1012560601 /nfs/dbraw/zinc/56/06/01/1012560601.db2.gz OZXXZFSKDYLORI-ZWKOTPCHSA-N 1 1 414.600 3.528 20 30 HHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537161560 1012560615 /nfs/dbraw/zinc/56/06/15/1012560615.db2.gz OZXXZFSKDYLORI-ZWKOTPCHSA-N 1 1 414.600 3.528 20 30 HHEDMO CCc1ccc([C@@H]2CN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC[NH2+]2)cc1 ZINC000552590904 1012595670 /nfs/dbraw/zinc/59/56/70/1012595670.db2.gz ABHAHYKQWJGJIQ-QHCPKHFHSA-N 1 1 420.532 3.649 20 30 HHEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000537247790 1012693583 /nfs/dbraw/zinc/69/35/83/1012693583.db2.gz HCDGIMXPDBDAMT-FCHUYYIVSA-N 1 1 420.582 3.609 20 30 HHEDMO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000537287707 1012743638 /nfs/dbraw/zinc/74/36/38/1012743638.db2.gz KHQIXOABHFXVAY-IBGZPJMESA-N 1 1 403.313 3.604 20 30 HHEDMO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000537287707 1012743653 /nfs/dbraw/zinc/74/36/53/1012743653.db2.gz KHQIXOABHFXVAY-IBGZPJMESA-N 1 1 403.313 3.604 20 30 HHEDMO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542075405 1012995499 /nfs/dbraw/zinc/99/54/99/1012995499.db2.gz LVVWISLFWXGPEW-KYNGSXCRSA-N 1 1 411.949 3.877 20 30 HHEDMO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542075405 1012995502 /nfs/dbraw/zinc/99/55/02/1012995502.db2.gz LVVWISLFWXGPEW-KYNGSXCRSA-N 1 1 411.949 3.877 20 30 HHEDMO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542075404 1012995731 /nfs/dbraw/zinc/99/57/31/1012995731.db2.gz LVVWISLFWXGPEW-JVPBZIDWSA-N 1 1 411.949 3.877 20 30 HHEDMO C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542075404 1012995738 /nfs/dbraw/zinc/99/57/38/1012995738.db2.gz LVVWISLFWXGPEW-JVPBZIDWSA-N 1 1 411.949 3.877 20 30 HHEDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542094079 1013022681 /nfs/dbraw/zinc/02/26/81/1013022681.db2.gz KDEHZZARRLOGPJ-QZTJIDSGSA-N 1 1 407.917 3.830 20 30 HHEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542094079 1013022699 /nfs/dbraw/zinc/02/26/99/1013022699.db2.gz KDEHZZARRLOGPJ-QZTJIDSGSA-N 1 1 407.917 3.830 20 30 HHEDMO Nc1ccccc1C(NO)=[NH+]c1cnc(N2CCCCC2)nc1OCc1ccccc1 ZINC001212027067 1071913531 /nfs/dbraw/zinc/91/35/31/1071913531.db2.gz XWBAQGJMZHRHNY-UHFFFAOYSA-N 1 1 418.501 3.685 20 30 HHEDMO CC[C@H](C)[N@@H+](C)CCn1c(C2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001545668790 1071973572 /nfs/dbraw/zinc/97/35/72/1071973572.db2.gz YEEPKLKNGYPTLT-SFHVURJKSA-N 1 1 422.577 3.805 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614930262 1071990582 /nfs/dbraw/zinc/99/05/82/1071990582.db2.gz QEZYSVKETXMTKZ-UHFFFAOYSA-N 1 1 408.502 3.579 20 30 HHEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000487869621 1072106753 /nfs/dbraw/zinc/10/67/53/1072106753.db2.gz KHMXJUBTFKFRNY-GOSISDBHSA-N 1 1 400.544 3.984 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000729812478 1072127274 /nfs/dbraw/zinc/12/72/74/1072127274.db2.gz XFOFMPJRPNHLSN-LJQANCHMSA-N 1 1 402.498 3.934 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCSC[C@H](C)C2)c1C#N ZINC000488224659 1072146486 /nfs/dbraw/zinc/14/64/86/1072146486.db2.gz SAFDEWVTDUXXDB-OAHLLOKOSA-N 1 1 414.550 3.787 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCSC[C@H](C)C2)c1C#N ZINC000488224659 1072146490 /nfs/dbraw/zinc/14/64/90/1072146490.db2.gz SAFDEWVTDUXXDB-OAHLLOKOSA-N 1 1 414.550 3.787 20 30 HHEDMO N#Cc1cccc(OCC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000912817953 1072286512 /nfs/dbraw/zinc/28/65/12/1072286512.db2.gz DHILDVVOZVKZDZ-UHFFFAOYSA-N 1 1 417.431 3.690 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000554945015 1072977768 /nfs/dbraw/zinc/97/77/68/1072977768.db2.gz AICMJYQZZNOGNW-KOSHJBKYSA-N 1 1 407.489 3.931 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000554975087 1073015768 /nfs/dbraw/zinc/01/57/68/1073015768.db2.gz ANQCCIBJHBMPAD-FGZHOGPDSA-N 1 1 418.541 3.588 20 30 HHEDMO CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555093818 1073142600 /nfs/dbraw/zinc/14/26/00/1073142600.db2.gz YCNNKOBLIFZCAZ-OAQYLSRUSA-N 1 1 400.530 3.795 20 30 HHEDMO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000572138412 1073201227 /nfs/dbraw/zinc/20/12/27/1073201227.db2.gz TVMCDOJFJDEGOY-GHTZIAJQSA-N 1 1 422.533 3.883 20 30 HHEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000555161836 1073221698 /nfs/dbraw/zinc/22/16/98/1073221698.db2.gz YUEFUEPERVLMQM-RTWAWAEBSA-N 1 1 408.571 3.684 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000555265384 1073298551 /nfs/dbraw/zinc/29/85/51/1073298551.db2.gz MEVNZVSGWMNZHT-UHFFFAOYSA-N 1 1 404.543 3.777 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000572970155 1073875240 /nfs/dbraw/zinc/87/52/40/1073875240.db2.gz YCNOEQQSKLYCIF-OAQYLSRUSA-N 1 1 403.526 3.619 20 30 HHEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000590934019 1074040738 /nfs/dbraw/zinc/04/07/38/1074040738.db2.gz NDWSFDSJXQVECN-KRWDZBQOSA-N 1 1 422.920 3.860 20 30 HHEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000590934019 1074040748 /nfs/dbraw/zinc/04/07/48/1074040748.db2.gz NDWSFDSJXQVECN-KRWDZBQOSA-N 1 1 422.920 3.860 20 30 HHEDMO C[C@@H]1C[C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000573626728 1074594184 /nfs/dbraw/zinc/59/41/84/1074594184.db2.gz NNPJQFNBOUKWLP-IFMALSPDSA-N 1 1 417.557 3.701 20 30 HHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000575205296 1075484032 /nfs/dbraw/zinc/48/40/32/1075484032.db2.gz RWBXQYRCTPEQPY-HKUYNNGSSA-N 1 1 400.542 3.540 20 30 HHEDMO COc1ccccc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000328603296 569416876 /nfs/dbraw/zinc/41/68/76/569416876.db2.gz FKVYPHUXPSXJKI-UZUQRXQVSA-N 1 1 419.485 3.782 20 30 HHEDMO COc1ccccc1NC(=O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000328603296 569416877 /nfs/dbraw/zinc/41/68/77/569416877.db2.gz FKVYPHUXPSXJKI-UZUQRXQVSA-N 1 1 419.485 3.782 20 30 HHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001164813615 720192925 /nfs/dbraw/zinc/19/29/25/720192925.db2.gz CRLVPGFIOTXLTQ-FDDCHVKYSA-N 1 1 410.949 3.945 20 30 HHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(C4(C#N)CCC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840102 720543653 /nfs/dbraw/zinc/54/36/53/720543653.db2.gz RLHLKJZMVUJNMZ-BAGYTPMASA-N 1 1 404.562 3.601 20 30 HHEDMO Cc1nc(Cl)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164843322 720691375 /nfs/dbraw/zinc/69/13/75/720691375.db2.gz NVJIINWIIQIVHE-SFHVURJKSA-N 1 1 411.937 3.570 20 30 HHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH]ccc3ncc(C#N)c1-3)CC2 ZINC001164840938 720706706 /nfs/dbraw/zinc/70/67/06/720706706.db2.gz STIACYDHBBAAHN-FQEVSTJZSA-N 1 1 401.514 3.694 20 30 HHEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3c(cc1C#N)CCC3)CC2 ZINC001164842328 720712284 /nfs/dbraw/zinc/71/22/84/720712284.db2.gz YIGKOGGJSIIBPJ-JOCHJYFZSA-N 1 1 402.542 3.702 20 30 HHEDMO N#Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164904035 721586509 /nfs/dbraw/zinc/58/65/09/721586509.db2.gz CPQQTDJPDLSBHX-LJQANCHMSA-N 1 1 403.864 3.739 20 30 HHEDMO N#Cc1cc2c(nc1N1CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C1)CCC2 ZINC001164913082 721724038 /nfs/dbraw/zinc/72/40/38/721724038.db2.gz SIFVGUKWJPBBID-JOCHJYFZSA-N 1 1 409.484 3.575 20 30 HHEDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934312 721890968 /nfs/dbraw/zinc/89/09/68/721890968.db2.gz OSAVIURLXCTIRQ-IAGOWNOFSA-N 1 1 404.345 3.628 20 30 HHEDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934312 721890969 /nfs/dbraw/zinc/89/09/69/721890969.db2.gz OSAVIURLXCTIRQ-IAGOWNOFSA-N 1 1 404.345 3.628 20 30 HHEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)c3ccc([N+](=O)[O-])cc3C#N)CC2)c1C ZINC000301190923 970798816 /nfs/dbraw/zinc/79/88/16/970798816.db2.gz LQXDGKQUXMSVBQ-UHFFFAOYSA-N 1 1 409.490 3.588 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)c2)CCO1 ZINC000302638949 971268395 /nfs/dbraw/zinc/26/83/95/971268395.db2.gz HWFRVYGJJIOLJJ-MRXNPFEDSA-N 1 1 417.469 3.847 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)c2)CCO1 ZINC000302638949 971268399 /nfs/dbraw/zinc/26/83/99/971268399.db2.gz HWFRVYGJJIOLJJ-MRXNPFEDSA-N 1 1 417.469 3.847 20 30 HHEDMO CC(C)[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](O)COc1cccc2ccccc21 ZINC000302849962 971352273 /nfs/dbraw/zinc/35/22/73/971352273.db2.gz SOPKVMCWNRQYJO-NRFANRHFSA-N 1 1 423.557 3.633 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@@H](Nc3nc4cc(Cl)ccn4c3C#N)C2)cc(OC)c1 ZINC000553108311 1013072526 /nfs/dbraw/zinc/07/25/26/1013072526.db2.gz HEDJSLICMRWLFR-MRXNPFEDSA-N 1 1 411.893 3.563 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](CCO)C2CCCCC2)cc1 ZINC000303511915 971811919 /nfs/dbraw/zinc/81/19/19/971811919.db2.gz XCQZDBCULPNCHQ-UHFFFAOYSA-N 1 1 424.545 3.540 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000303611703 971898598 /nfs/dbraw/zinc/89/85/98/971898598.db2.gz READBZILNIFVNZ-UHFFFAOYSA-N 1 1 418.472 3.629 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000303611703 971898603 /nfs/dbraw/zinc/89/86/03/971898603.db2.gz READBZILNIFVNZ-UHFFFAOYSA-N 1 1 418.472 3.629 20 30 HHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C12CCCCC2 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979215535 /nfs/dbraw/zinc/21/55/35/979215535.db2.gz GJFZHCSYDVOJFP-CQSZACIVSA-N 1 1 404.333 3.885 20 30 HHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433285145 979215545 /nfs/dbraw/zinc/21/55/45/979215545.db2.gz GJFZHCSYDVOJFP-CQSZACIVSA-N 1 1 404.333 3.885 20 30 HHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433320324 979234753 /nfs/dbraw/zinc/23/47/53/979234753.db2.gz RTTDDVKYOOHNCO-WRWLIDTKSA-N 1 1 406.368 3.756 20 30 HHEDMO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCO1 ZINC000433519332 979353786 /nfs/dbraw/zinc/35/37/86/979353786.db2.gz KUOIKPJYGZCMED-SFHVURJKSA-N 1 1 408.502 3.973 20 30 HHEDMO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCO1 ZINC000433519599 979354144 /nfs/dbraw/zinc/35/41/44/979354144.db2.gz VXCLOLLIABLCCW-SFHVURJKSA-N 1 1 408.502 3.973 20 30 HHEDMO COc1cc(-c2noc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)n2)ccc1C ZINC000434692049 980343742 /nfs/dbraw/zinc/34/37/42/980343742.db2.gz 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416.529 3.950 20 30 HHEDMO N#Cc1cccc(-c2nnc(C[NH+]3CCC(c4nc(-c5ccccc5)n[nH]4)CC3)o2)c1 ZINC000439726199 983516059 /nfs/dbraw/zinc/51/60/59/983516059.db2.gz DDOOWWZPZRKQMS-UHFFFAOYSA-N 1 1 411.469 3.773 20 30 HHEDMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000440064771 983630269 /nfs/dbraw/zinc/63/02/69/983630269.db2.gz SXGPEAOPLOQCKG-LPHOPBHVSA-N 1 1 424.932 3.662 20 30 HHEDMO COc1cc(NC2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc(OC)c1 ZINC000440546387 983791568 /nfs/dbraw/zinc/79/15/68/983791568.db2.gz MWKKRMHDENIWTD-UHFFFAOYSA-N 1 1 419.485 3.702 20 30 HHEDMO CC[NH+]1CCN(C[C@H](C)CNc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440647193 983836886 /nfs/dbraw/zinc/83/68/86/983836886.db2.gz HFZXSPMENRRARL-OAHLLOKOSA-N 1 1 416.367 3.554 20 30 HHEDMO C[C@H]1C[N@@H+](CCCNc2c(C#N)cnc3c(Br)cccc32)CCCO1 ZINC000440660394 983842618 /nfs/dbraw/zinc/84/26/18/983842618.db2.gz DCQRHSGHTFTIDG-AWEZNQCLSA-N 1 1 403.324 3.782 20 30 HHEDMO 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CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000441195414 984110073 /nfs/dbraw/zinc/11/00/73/984110073.db2.gz HPOTXIATBREZRF-KSFYIVLOSA-N 1 1 423.561 3.643 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000441195414 984110077 /nfs/dbraw/zinc/11/00/77/984110077.db2.gz HPOTXIATBREZRF-KSFYIVLOSA-N 1 1 423.561 3.643 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441274386 984153066 /nfs/dbraw/zinc/15/30/66/984153066.db2.gz FJJCZQQYVSTHQS-MOPGFXCFSA-N 1 1 424.520 3.792 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000441354356 984203594 /nfs/dbraw/zinc/20/35/94/984203594.db2.gz MXMIBPCMFCCRLA-TZIWHRDSSA-N 1 1 409.505 4.000 20 30 HHEDMO N#Cc1cc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)ccc1OC(F)(F)F ZINC000442192660 984714325 /nfs/dbraw/zinc/71/43/25/984714325.db2.gz JYJNRFBRTZTBSQ-UHFFFAOYSA-N 1 1 410.421 3.698 20 30 HHEDMO N#Cc1cc(NC(=O)NCC[N@H+]2CCc3sccc3C2)ccc1OC(F)(F)F ZINC000442192660 984714333 /nfs/dbraw/zinc/71/43/33/984714333.db2.gz JYJNRFBRTZTBSQ-UHFFFAOYSA-N 1 1 410.421 3.698 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C[C@H]1C ZINC000461850000 984862458 /nfs/dbraw/zinc/86/24/58/984862458.db2.gz KCQMAXZHCYPWJJ-COPCDDAFSA-N 1 1 422.577 3.695 20 30 HHEDMO N#Cc1ccc(OC2CN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC000461997204 984978286 /nfs/dbraw/zinc/97/82/86/984978286.db2.gz XVJRKBAISBOXQK-FRIKZZABSA-N 1 1 416.525 3.526 20 30 HHEDMO CCCc1c(NC(=O)c2cc(C[NH+]3CCCC3)on2)cnn1-c1cccc(C#N)c1 ZINC000462333415 985323519 /nfs/dbraw/zinc/32/35/19/985323519.db2.gz GZJQAGNEEKEKTR-UHFFFAOYSA-N 1 1 404.474 3.533 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(OC)c1 ZINC000462445028 985410595 /nfs/dbraw/zinc/41/05/95/985410595.db2.gz AYNRCYMYVOFZFA-RXVVDRJESA-N 1 1 416.587 3.604 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)c(OC)c1 ZINC000462445028 985410597 /nfs/dbraw/zinc/41/05/97/985410597.db2.gz AYNRCYMYVOFZFA-RXVVDRJESA-N 1 1 416.587 3.604 20 30 HHEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1cccs1 ZINC000443239728 985457448 /nfs/dbraw/zinc/45/74/48/985457448.db2.gz ZHFJIOVGYOOYMH-FZKQIMNGSA-N 1 1 409.964 3.635 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000443356338 985519063 /nfs/dbraw/zinc/51/90/63/985519063.db2.gz JJKHYMCLKLZCMX-ZDUSSCGKSA-N 1 1 400.891 3.745 20 30 HHEDMO COCC[N@@H+](C)CC[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000462826686 985749132 /nfs/dbraw/zinc/74/91/32/985749132.db2.gz ROCXSAWVFYPBBW-NRFANRHFSA-N 1 1 419.485 4.136 20 30 HHEDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462900565 985828909 /nfs/dbraw/zinc/82/89/09/985828909.db2.gz NVAMGYJFMMUQBT-JOCHJYFZSA-N 1 1 420.513 3.770 20 30 HHEDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462900565 985828922 /nfs/dbraw/zinc/82/89/22/985828922.db2.gz NVAMGYJFMMUQBT-JOCHJYFZSA-N 1 1 420.513 3.770 20 30 HHEDMO CC(C)(CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@H+]1CCc2ccccc2C1 ZINC000468250889 985949016 /nfs/dbraw/zinc/94/90/16/985949016.db2.gz GGOWNORTSIRUPR-UHFFFAOYSA-N 1 1 400.482 3.780 20 30 HHEDMO C=CCN(C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1nc2c(s1)CCCC2 ZINC000443797477 985998293 /nfs/dbraw/zinc/99/82/93/985998293.db2.gz DFLUDWVPNPTGJR-IBGZPJMESA-N 1 1 411.571 3.832 20 30 HHEDMO C=CCN(C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1nc2c(s1)CCCC2 ZINC000443797477 985998328 /nfs/dbraw/zinc/99/83/28/985998328.db2.gz DFLUDWVPNPTGJR-IBGZPJMESA-N 1 1 411.571 3.832 20 30 HHEDMO COC(=O)c1ccccc1CC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000463233341 986202054 /nfs/dbraw/zinc/20/20/54/986202054.db2.gz MWLDUYOMRKODDN-UHFFFAOYSA-N 1 1 419.525 3.675 20 30 HHEDMO C[N@@H+](CCc1cccc(Br)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000463420586 986391464 /nfs/dbraw/zinc/39/14/64/986391464.db2.gz ADEAMQNZVUYDHA-INIZCTEOSA-N 1 1 404.333 3.662 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000463442218 986420764 /nfs/dbraw/zinc/42/07/64/986420764.db2.gz KNVFXHPRZUYCHS-SQJMNOBHSA-N 1 1 405.542 3.575 20 30 HHEDMO C=CC[N@H+](CC(=O)c1cc(C)n(C2CC2)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000444255736 986453422 /nfs/dbraw/zinc/45/34/22/986453422.db2.gz DJBKZLWUUHKNBR-QGZVFWFLSA-N 1 1 404.518 3.847 20 30 HHEDMO C=CC[N@@H+](CC(=O)c1cc(C)n(C2CC2)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000444255736 986453429 /nfs/dbraw/zinc/45/34/29/986453429.db2.gz DJBKZLWUUHKNBR-QGZVFWFLSA-N 1 1 404.518 3.847 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000463509552 986484810 /nfs/dbraw/zinc/48/48/10/986484810.db2.gz OOGJDIHAUCMCKN-OALUTQOASA-N 1 1 413.443 3.814 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000463509552 986484817 /nfs/dbraw/zinc/48/48/17/986484817.db2.gz OOGJDIHAUCMCKN-OALUTQOASA-N 1 1 413.443 3.814 20 30 HHEDMO CN1CC[NH+](Cc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000468825882 986535026 /nfs/dbraw/zinc/53/50/26/986535026.db2.gz DZCLGAYJEDCWLV-HXUWFJFHSA-N 1 1 417.340 3.735 20 30 HHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000444386645 986561304 /nfs/dbraw/zinc/56/13/04/986561304.db2.gz SLPGKAGILDSEFB-GOSISDBHSA-N 1 1 407.514 3.576 20 30 HHEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000444390851 986567114 /nfs/dbraw/zinc/56/71/14/986567114.db2.gz XNVHCCPEYLVQHY-KRWDZBQOSA-N 1 1 409.555 3.627 20 30 HHEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)c(Cl)c1 ZINC000444532625 986720914 /nfs/dbraw/zinc/72/09/14/986720914.db2.gz UYKNBZNMEYASLI-GOSISDBHSA-N 1 1 400.954 3.515 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000463763506 986754589 /nfs/dbraw/zinc/75/45/89/986754589.db2.gz YJUSQKBLQOYGTQ-UHFFFAOYSA-N 1 1 413.518 3.507 20 30 HHEDMO C[C@@]1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCC[N@H+]1Cc1ccccc1 ZINC000469180449 986905438 /nfs/dbraw/zinc/90/54/38/986905438.db2.gz QJWOBJNQHMMJOR-DEOSSOPVSA-N 1 1 400.482 3.998 20 30 HHEDMO CC1(C)CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469182953 986908016 /nfs/dbraw/zinc/90/80/16/986908016.db2.gz FQIZSFDOGASVFU-UHFFFAOYSA-N 1 1 400.482 3.950 20 30 HHEDMO CC1(C)CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000469182953 986908026 /nfs/dbraw/zinc/90/80/26/986908026.db2.gz FQIZSFDOGASVFU-UHFFFAOYSA-N 1 1 400.482 3.950 20 30 HHEDMO C=CC[C@@H]1[N@@H+](CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CCCC1(C)C ZINC000444774000 986932412 /nfs/dbraw/zinc/93/24/12/986932412.db2.gz HDWCYIQUCCFTTD-FPOVZHCZSA-N 1 1 403.611 3.550 20 30 HHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CCCC1(C)C ZINC000444782595 986938899 /nfs/dbraw/zinc/93/88/99/986938899.db2.gz JQFCMMXMPZAHKA-LJQANCHMSA-N 1 1 412.513 3.684 20 30 HHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCCC1(C)C ZINC000444794116 986948516 /nfs/dbraw/zinc/94/85/16/986948516.db2.gz UPWREGVHFIDGNF-HXUWFJFHSA-N 1 1 415.603 3.881 20 30 HHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)COc1ccccc1 ZINC000444808636 986963750 /nfs/dbraw/zinc/96/37/50/986963750.db2.gz UGRPDNQZYVAGJE-GOSISDBHSA-N 1 1 403.320 3.971 20 30 HHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)COc1ccccc1 ZINC000444808636 986963752 /nfs/dbraw/zinc/96/37/52/986963752.db2.gz UGRPDNQZYVAGJE-GOSISDBHSA-N 1 1 403.320 3.971 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469338085 987044512 /nfs/dbraw/zinc/04/45/12/987044512.db2.gz NAVBPZPJSGIUJX-AUSIDOKSSA-N 1 1 417.557 3.987 20 30 HHEDMO CCC1(CC)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC[S@]1=O ZINC000469443779 987130892 /nfs/dbraw/zinc/13/08/92/987130892.db2.gz BKWXQZUYTVXYMS-WQIZZMQYSA-N 1 1 421.632 3.696 20 30 HHEDMO CCC1(CC)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC[S@]1=O ZINC000469443779 987130893 /nfs/dbraw/zinc/13/08/93/987130893.db2.gz BKWXQZUYTVXYMS-WQIZZMQYSA-N 1 1 421.632 3.696 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000469731917 987382593 /nfs/dbraw/zinc/38/25/93/987382593.db2.gz VLAUXJMZWNQMLP-ZDUSSCGKSA-N 1 1 423.344 3.595 20 30 HHEDMO C=CCCc1nc(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)no1 ZINC000445370920 987426772 /nfs/dbraw/zinc/42/67/72/987426772.db2.gz KAUMQPVKPJKIJB-UHFFFAOYSA-N 1 1 416.525 3.665 20 30 HHEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000470006663 987618743 /nfs/dbraw/zinc/61/87/43/987618743.db2.gz SOCICCZYTWDFAR-QGZVFWFLSA-N 1 1 404.297 3.635 20 30 HHEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000470006663 987618748 /nfs/dbraw/zinc/61/87/48/987618748.db2.gz SOCICCZYTWDFAR-QGZVFWFLSA-N 1 1 404.297 3.635 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C ZINC000463938295 988048163 /nfs/dbraw/zinc/04/81/63/988048163.db2.gz RQSDNGZTZQRZMC-SEJPIABJSA-N 1 1 405.546 3.826 20 30 HHEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)[C@@H](C)c3cccc(C#N)c3)CC2)c1C ZINC000463945607 988056557 /nfs/dbraw/zinc/05/65/57/988056557.db2.gz NOKCGHCFUFMZGZ-SFHVURJKSA-N 1 1 420.557 3.805 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)cc1OCC ZINC000470150514 988059099 /nfs/dbraw/zinc/05/90/99/988059099.db2.gz WWUHHXXDFDIQOX-HIFRSBDPSA-N 1 1 412.324 3.796 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)cc1OCC ZINC000470150514 988059112 /nfs/dbraw/zinc/05/91/12/988059112.db2.gz WWUHHXXDFDIQOX-HIFRSBDPSA-N 1 1 412.324 3.796 20 30 HHEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000470476640 988465049 /nfs/dbraw/zinc/46/50/49/988465049.db2.gz KTHDMOVQNCBTKD-OAHLLOKOSA-N 1 1 412.452 3.596 20 30 HHEDMO N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)ccc21 ZINC000470548862 988559571 /nfs/dbraw/zinc/55/95/71/988559571.db2.gz KZVDQUWBCDQWFO-NRFANRHFSA-N 1 1 423.561 3.656 20 30 HHEDMO COc1cc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000470934544 989003561 /nfs/dbraw/zinc/00/35/61/989003561.db2.gz UWSFOGNNHKWMNP-UUOWRZLLSA-N 1 1 408.498 3.526 20 30 HHEDMO COc1cc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000470934544 989003568 /nfs/dbraw/zinc/00/35/68/989003568.db2.gz UWSFOGNNHKWMNP-UUOWRZLLSA-N 1 1 408.498 3.526 20 30 HHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000464794931 989025938 /nfs/dbraw/zinc/02/59/38/989025938.db2.gz OFMQAEYARRPEFY-UHFFFAOYSA-N 1 1 407.514 3.842 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000470992616 989057966 /nfs/dbraw/zinc/05/79/66/989057966.db2.gz IEIKXEMAWPDPSJ-PSWAGMNNSA-N 1 1 416.569 3.614 20 30 HHEDMO CN(CC(=O)Nc1ccccc1SCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464836154 989079050 /nfs/dbraw/zinc/07/90/50/989079050.db2.gz JXBRFEVMIYRFJP-HXUWFJFHSA-N 1 1 408.571 3.695 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1C#N ZINC000464858504 989112988 /nfs/dbraw/zinc/11/29/88/989112988.db2.gz WXUJETLJPNNOQU-UTKZUKDTSA-N 1 1 410.493 3.544 20 30 HHEDMO CCC[C@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000471095541 989192428 /nfs/dbraw/zinc/19/24/28/989192428.db2.gz NKVGTSVKGGVSJG-RPWUZVMVSA-N 1 1 400.526 3.754 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000464965756 989266024 /nfs/dbraw/zinc/26/60/24/989266024.db2.gz VMODMIGNKJTQFA-NRFANRHFSA-N 1 1 420.557 3.579 20 30 HHEDMO N#CCCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)CC1CC1 ZINC000471209140 989351445 /nfs/dbraw/zinc/35/14/45/989351445.db2.gz YZMPIFZTOFYHOK-UHFFFAOYSA-N 1 1 416.569 3.546 20 30 HHEDMO N#Cc1cccc(OCCCCC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471382461 989561766 /nfs/dbraw/zinc/56/17/66/989561766.db2.gz PQPLZRWMHUHNKU-ZRZAMGCNSA-N 1 1 403.526 3.698 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000471467928 989661373 /nfs/dbraw/zinc/66/13/73/989661373.db2.gz QDIMSWPCLTXEGV-NFBKMPQASA-N 1 1 419.573 3.505 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C)O1 ZINC000471624785 989831910 /nfs/dbraw/zinc/83/19/10/989831910.db2.gz JGXBNNJFCPCPED-CALCHBBNSA-N 1 1 403.486 3.830 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C)O1 ZINC000471624785 989831924 /nfs/dbraw/zinc/83/19/24/989831924.db2.gz JGXBNNJFCPCPED-CALCHBBNSA-N 1 1 403.486 3.830 20 30 HHEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000471645444 989850041 /nfs/dbraw/zinc/85/00/41/989850041.db2.gz QMOSWSPXCQOINA-NRFANRHFSA-N 1 1 406.917 3.628 20 30 HHEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000471645444 989850055 /nfs/dbraw/zinc/85/00/55/989850055.db2.gz QMOSWSPXCQOINA-NRFANRHFSA-N 1 1 406.917 3.628 20 30 HHEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@@H](C)C1 ZINC000466021634 991189010 /nfs/dbraw/zinc/18/90/10/991189010.db2.gz VVINALUHNNOEKZ-FCJDFRRUSA-N 1 1 412.578 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CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@H]1C ZINC000467148922 992464974 /nfs/dbraw/zinc/46/49/74/992464974.db2.gz NXHXDZZXPBBTQH-UTKZUKDTSA-N 1 1 407.562 3.709 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOC[C@@H]2CC(C)C)c1C#N ZINC000472235776 993263846 /nfs/dbraw/zinc/26/38/46/993263846.db2.gz CCPXAPNTZCAWAP-IBGZPJMESA-N 1 1 412.534 3.693 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]2CN2CCCC2)c1C#N ZINC000472243579 993271102 /nfs/dbraw/zinc/27/11/02/993271102.db2.gz SCILGGSHIYQMDC-HXUWFJFHSA-N 1 1 423.561 3.507 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]2CN2CCCC2)c1C#N ZINC000472243579 993271106 /nfs/dbraw/zinc/27/11/06/993271106.db2.gz SCILGGSHIYQMDC-HXUWFJFHSA-N 1 1 423.561 3.507 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472315006 993326749 /nfs/dbraw/zinc/32/67/49/993326749.db2.gz RKQRDZHWMBXVMA-RBBKRZOGSA-N 1 1 422.573 3.905 20 30 HHEDMO 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ZINC000472893687 993819856 /nfs/dbraw/zinc/81/98/56/993819856.db2.gz CHFFBRKUNMDNTK-WOJBJXKFSA-N 1 1 419.573 3.611 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCSC3(CCOCC3)C2)c1C#N ZINC000473189856 994054141 /nfs/dbraw/zinc/05/41/41/994054141.db2.gz JCNKRUVKPKKEJE-UHFFFAOYSA-N 1 1 424.570 3.502 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCSC3(CCOCC3)C2)c1C#N ZINC000473189856 994054146 /nfs/dbraw/zinc/05/41/46/994054146.db2.gz JCNKRUVKPKKEJE-UHFFFAOYSA-N 1 1 424.570 3.502 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000473194513 994058084 /nfs/dbraw/zinc/05/80/84/994058084.db2.gz QFUYWYDBPCFYOL-IBGZPJMESA-N 1 1 401.576 3.537 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1C#N ZINC000481408390 994242680 /nfs/dbraw/zinc/24/26/80/994242680.db2.gz MWPTVNXWXDWIJH-UWJYYQICSA-N 1 1 412.509 3.526 20 30 HHEDMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481422196 994256661 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UVEUTGUNIJKDKJ-FQEVSTJZSA-N 1 1 410.905 3.563 20 30 HHEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482495370 995505700 /nfs/dbraw/zinc/50/57/00/995505700.db2.gz IJXOHDWYAJJCHI-GMAHTHKFSA-N 1 1 408.498 3.680 20 30 HHEDMO C=CCc1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc(OC)c1OC ZINC000474559060 995524052 /nfs/dbraw/zinc/52/40/52/995524052.db2.gz QJYHBRLLHPWXMI-OAQYLSRUSA-N 1 1 412.505 3.852 20 30 HHEDMO C=CCc1cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc(OC)c1OC ZINC000474559060 995524059 /nfs/dbraw/zinc/52/40/59/995524059.db2.gz QJYHBRLLHPWXMI-OAQYLSRUSA-N 1 1 412.505 3.852 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)NC2(c3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000482547732 995555874 /nfs/dbraw/zinc/55/58/74/995555874.db2.gz GBZWVBZRBDUWKO-KDURUIRLSA-N 1 1 418.541 3.656 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)NC2(c3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000482547732 995555883 /nfs/dbraw/zinc/55/58/83/995555883.db2.gz GBZWVBZRBDUWKO-KDURUIRLSA-N 1 1 418.541 3.656 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2cnc3ccc(C#N)cn23)c1 ZINC000482675869 995668903 /nfs/dbraw/zinc/66/89/03/995668903.db2.gz DWZUOVVSAOMKFZ-INIZCTEOSA-N 1 1 420.492 3.770 20 30 HHEDMO COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000482779221 995743265 /nfs/dbraw/zinc/74/32/65/995743265.db2.gz VJWOQEWTKDHHPE-XZOQPEGZSA-N 1 1 419.525 3.818 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000483126960 995991692 /nfs/dbraw/zinc/99/16/92/995991692.db2.gz VXDNAVBHAYTOJD-LPHOPBHVSA-N 1 1 410.543 3.568 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000483126960 995991699 /nfs/dbraw/zinc/99/16/99/995991699.db2.gz VXDNAVBHAYTOJD-LPHOPBHVSA-N 1 1 410.543 3.568 20 30 HHEDMO N#Cc1ccc(F)c(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000475218738 996003553 /nfs/dbraw/zinc/00/35/53/996003553.db2.gz ZHBASXHAVBLIMB-DEOSSOPVSA-N 1 1 406.505 3.895 20 30 HHEDMO N#Cc1ccsc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483492040 996215881 /nfs/dbraw/zinc/21/58/81/996215881.db2.gz NTLKSURGNHHMDE-SFTDATJTSA-N 1 1 408.571 3.935 20 30 HHEDMO COc1cccc(OCC[NH+]2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000483513649 996226846 /nfs/dbraw/zinc/22/68/46/996226846.db2.gz OHKXNBDKBRETOG-UHFFFAOYSA-N 1 1 418.459 3.762 20 30 HHEDMO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(I)cc3Cl)n2c1 ZINC000475628258 996260756 /nfs/dbraw/zinc/26/07/56/996260756.db2.gz WAVCMWOFVDWHSY-UHFFFAOYSA-N 1 1 422.657 3.754 20 30 HHEDMO CN(C(=O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1(C#N)CCCCC1 ZINC000475727172 996326953 /nfs/dbraw/zinc/32/69/53/996326953.db2.gz MAUAKGDMZLZCKE-XMMPIXPASA-N 1 1 408.590 3.659 20 30 HHEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000475728902 996328430 /nfs/dbraw/zinc/32/84/30/996328430.db2.gz VBULFUUZUJXMKR-HCXYKTFWSA-N 1 1 412.578 3.722 20 30 HHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 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HHEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)cc1 ZINC001164721680 720339840 /nfs/dbraw/zinc/33/98/40/720339840.db2.gz CZHJSFWMTTWPSX-XWGVYQGASA-N 1 1 410.525 3.689 20 30 HHEDMO N#Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164880939 721178199 /nfs/dbraw/zinc/17/81/99/721178199.db2.gz XXYWYASVOJJIOJ-PMACEKPBSA-N 1 1 419.916 3.635 20 30 HHEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783493 721393480 /nfs/dbraw/zinc/39/34/80/721393480.db2.gz IMSUDUZVRWUEAH-HDICACEKSA-N 1 1 405.502 3.784 20 30 HHEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783493 721393487 /nfs/dbraw/zinc/39/34/87/721393487.db2.gz IMSUDUZVRWUEAH-HDICACEKSA-N 1 1 405.502 3.784 20 30 HHEDMO N#Cc1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164900446 721512728 /nfs/dbraw/zinc/51/27/28/721512728.db2.gz RCAKDBNRGFKALO-RDJZCZTQSA-N 1 1 422.838 3.633 20 30 HHEDMO 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C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000110938102 969743652 /nfs/dbraw/zinc/74/36/52/969743652.db2.gz JKTYKPSBUNSQCF-IRLDBZIGSA-N 1 1 418.541 3.665 20 30 HHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000110938099 969743699 /nfs/dbraw/zinc/74/36/99/969743699.db2.gz JKTYKPSBUNSQCF-UNMCSNQZSA-N 1 1 418.541 3.665 20 30 HHEDMO C#CC[N@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC000110981589 969753701 /nfs/dbraw/zinc/75/37/01/969753701.db2.gz UDVXMQWSUBAHQD-HXUWFJFHSA-N 1 1 408.498 3.664 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195674252 969947619 /nfs/dbraw/zinc/94/76/19/969947619.db2.gz JPPRQLSPKDZEHF-AZUAARDMSA-N 1 1 404.297 3.784 20 30 HHEDMO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCCCC1 ZINC000195674010 969947668 /nfs/dbraw/zinc/94/76/68/969947668.db2.gz GUECYNPHXYSBQF-LJQANCHMSA-N 1 1 412.578 3.868 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195674253 969947749 /nfs/dbraw/zinc/94/77/49/969947749.db2.gz JPPRQLSPKDZEHF-ICSRJNTNSA-N 1 1 404.297 3.784 20 30 HHEDMO C#CCOc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 ZINC000237233736 970245639 /nfs/dbraw/zinc/24/56/39/970245639.db2.gz CLVXCTOBVZYDPK-UHFFFAOYSA-N 1 1 417.475 3.759 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000554597867 1013986100 /nfs/dbraw/zinc/98/61/00/1013986100.db2.gz CYDQFRQPEWQKBE-SFHVURJKSA-N 1 1 414.513 3.904 20 30 HHEDMO C#CCC[NH+]1CCN(C(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)CC1 ZINC000261394182 970647480 /nfs/dbraw/zinc/64/74/80/970647480.db2.gz VXCYKCLBYWMSDY-UHFFFAOYSA-N 1 1 407.514 3.968 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000409463615 972910475 /nfs/dbraw/zinc/91/04/75/972910475.db2.gz LUFXLYWEYVHUTQ-LJQANCHMSA-N 1 1 413.525 3.906 20 30 HHEDMO N#Cc1cccc(-n2ccc(C(=O)N3CCC[N@@H+](CCCc4ccccc4)CC3)n2)c1 ZINC000409641833 973091747 /nfs/dbraw/zinc/09/17/47/973091747.db2.gz ZKFXRKWLZGQOHN-UHFFFAOYSA-N 1 1 413.525 3.525 20 30 HHEDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@H+]1Cc1ccccc1 ZINC000409744062 973220060 /nfs/dbraw/zinc/22/00/60/973220060.db2.gz CSZACBXLOZLSDU-UGKGYDQZSA-N 1 1 413.525 3.869 20 30 HHEDMO N#Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)ccc1C(F)(F)F ZINC000410329212 973895689 /nfs/dbraw/zinc/89/56/89/973895689.db2.gz GQJKOOXKHKSKLG-MRXNPFEDSA-N 1 1 421.444 3.750 20 30 HHEDMO C=CCN1CC[C@H]([N@@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)C1=O ZINC000410369913 973964837 /nfs/dbraw/zinc/96/48/37/973964837.db2.gz QHKQNBLICMABRN-NRFANRHFSA-N 1 1 408.477 3.615 20 30 HHEDMO C=CCN1CC[C@H]([N@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)C1=O ZINC000410369913 973964848 /nfs/dbraw/zinc/96/48/48/973964848.db2.gz QHKQNBLICMABRN-NRFANRHFSA-N 1 1 408.477 3.615 20 30 HHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426537178 974513869 /nfs/dbraw/zinc/51/38/69/974513869.db2.gz FHOUBKVEXAWKAZ-HDICACEKSA-N 1 1 420.513 3.668 20 30 HHEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000426791778 974662751 /nfs/dbraw/zinc/66/27/51/974662751.db2.gz GPFXPTFVFRWFRH-QGZVFWFLSA-N 1 1 408.527 3.544 20 30 HHEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000426791778 974662756 /nfs/dbraw/zinc/66/27/56/974662756.db2.gz GPFXPTFVFRWFRH-QGZVFWFLSA-N 1 1 408.527 3.544 20 30 HHEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)sc2C1 ZINC000427014763 974826679 /nfs/dbraw/zinc/82/66/79/974826679.db2.gz IIXYWXXPBJJSMW-UGSOOPFHSA-N 1 1 418.607 3.589 20 30 HHEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@@H+](C)C[C@H]3C)sc2C1 ZINC000427019272 974830309 /nfs/dbraw/zinc/83/03/09/974830309.db2.gz JKUHKOPEBKHCQV-CVEARBPZSA-N 1 1 402.608 3.735 20 30 HHEDMO C=CCC[C@H](C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000427476911 975138376 /nfs/dbraw/zinc/13/83/76/975138376.db2.gz SPWMTIWCPXZDMV-QFIPXVFZSA-N 1 1 408.542 3.928 20 30 HHEDMO C=CCC[C@H](C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000427476911 975138378 /nfs/dbraw/zinc/13/83/78/975138378.db2.gz SPWMTIWCPXZDMV-QFIPXVFZSA-N 1 1 408.542 3.928 20 30 HHEDMO CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000428337976 975648838 /nfs/dbraw/zinc/64/88/38/975648838.db2.gz WPEVTGUULGDQQM-RTWAWAEBSA-N 1 1 400.592 3.840 20 30 HHEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(Cn3cncn3)CC2)cc1OC ZINC000428491444 975789861 /nfs/dbraw/zinc/78/98/61/975789861.db2.gz WFBWPIBKFCQHJC-UHFFFAOYSA-N 1 1 421.339 3.526 20 30 HHEDMO Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)cc1F ZINC000428775705 976048727 /nfs/dbraw/zinc/04/87/27/976048727.db2.gz AQGKIMJSGNBGNJ-GOSISDBHSA-N 1 1 407.449 3.537 20 30 HHEDMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428794464 976070733 /nfs/dbraw/zinc/07/07/33/976070733.db2.gz RYFVOUYRZNYANZ-GOSISDBHSA-N 1 1 416.481 3.640 20 30 HHEDMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428794464 976070745 /nfs/dbraw/zinc/07/07/45/976070745.db2.gz RYFVOUYRZNYANZ-GOSISDBHSA-N 1 1 416.481 3.640 20 30 HHEDMO COc1ccc(Br)c(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000429294317 976573173 /nfs/dbraw/zinc/57/31/73/976573173.db2.gz QOUVULVSAOWKBR-UHFFFAOYSA-N 1 1 402.292 3.790 20 30 HHEDMO COc1ccc(Br)c(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000429294317 976573184 /nfs/dbraw/zinc/57/31/84/976573184.db2.gz QOUVULVSAOWKBR-UHFFFAOYSA-N 1 1 402.292 3.790 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[N@H+](C4CCC4)C[C@@H](C)C3)sc2C1 ZINC000429383555 976656711 /nfs/dbraw/zinc/65/67/11/976656711.db2.gz RADNMCIDPWHQFJ-IRXDYDNUSA-N 1 1 414.619 3.879 20 30 HHEDMO C[C@@H]1C[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000429810844 977085614 /nfs/dbraw/zinc/08/56/14/977085614.db2.gz CBHLXESZZTXDLK-KNQAVFIVSA-N 1 1 413.525 3.857 20 30 HHEDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000430107230 977321526 /nfs/dbraw/zinc/32/15/26/977321526.db2.gz RMPKVUWCQMXCHV-XMMPIXPASA-N 1 1 408.498 3.694 20 30 HHEDMO CCOc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OCC(F)(F)F ZINC000430185666 977378071 /nfs/dbraw/zinc/37/80/71/977378071.db2.gz HSASHHKWOWPNBQ-QGZVFWFLSA-N 1 1 421.419 3.946 20 30 HHEDMO C=CCN1C(=O)N([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431224088 978105013 /nfs/dbraw/zinc/10/50/13/978105013.db2.gz MJOOOWAJRXJAOL-WTIAFYNJSA-N 1 1 403.526 3.568 20 30 HHEDMO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccccc1Cl ZINC000431842429 978547962 /nfs/dbraw/zinc/54/79/62/978547962.db2.gz GBMJLHYBRBTOCD-HXUWFJFHSA-N 1 1 412.921 3.658 20 30 HHEDMO N#CCCC[C@@H](NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000431862206 978557934 /nfs/dbraw/zinc/55/79/34/978557934.db2.gz XKEMHKOQBQTURQ-HSZRJFAPSA-N 1 1 423.536 3.682 20 30 HHEDMO C=CCN1C(=O)N([C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431956111 978617820 /nfs/dbraw/zinc/61/78/20/978617820.db2.gz BGIYKXQPNPUVAB-FGCOXFRFSA-N 1 1 417.553 3.959 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[N@H+](C2CCC2)C1 ZINC000432719022 978947249 /nfs/dbraw/zinc/94/72/49/978947249.db2.gz MACHUSMPQASIQO-AWEZNQCLSA-N 1 1 410.440 3.837 20 30 HHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000432769417 978968246 /nfs/dbraw/zinc/96/82/46/978968246.db2.gz RWJHWXOBMDBQCX-IBGZPJMESA-N 1 1 410.562 3.839 20 30 HHEDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000432864602 978995498 /nfs/dbraw/zinc/99/54/98/978995498.db2.gz ICCIRWYZXTXSGE-HDICACEKSA-N 1 1 408.502 3.923 20 30 HHEDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000432864602 978995500 /nfs/dbraw/zinc/99/55/00/978995500.db2.gz ICCIRWYZXTXSGE-HDICACEKSA-N 1 1 408.502 3.923 20 30 HHEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COCC(F)(F)F ZINC000432945058 979018668 /nfs/dbraw/zinc/01/86/68/979018668.db2.gz QBADJWBZJALVQN-CYBMUJFWSA-N 1 1 400.210 3.516 20 30 HHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COCC(F)(F)F ZINC000432945058 979018671 /nfs/dbraw/zinc/01/86/71/979018671.db2.gz QBADJWBZJALVQN-CYBMUJFWSA-N 1 1 400.210 3.516 20 30 HHEDMO N#CCCC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)c1ccccc1 ZINC000433033113 979047688 /nfs/dbraw/zinc/04/76/88/979047688.db2.gz DCSDZDDHNJQIFS-KRWDZBQOSA-N 1 1 411.307 3.950 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H](O)Cc1ccccc1 ZINC000433072788 979058476 /nfs/dbraw/zinc/05/84/76/979058476.db2.gz QAPSZFXWFZOVPW-GOSISDBHSA-N 1 1 411.571 3.753 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCSC1 ZINC000433178845 979122068 /nfs/dbraw/zinc/12/20/68/979122068.db2.gz GWTQPGLZDJOUSZ-IAGOWNOFSA-N 1 1 407.605 3.721 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCSC1 ZINC000433178845 979122071 /nfs/dbraw/zinc/12/20/71/979122071.db2.gz GWTQPGLZDJOUSZ-IAGOWNOFSA-N 1 1 407.605 3.721 20 30 HHEDMO 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C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)c(OC)c1 ZINC000441446775 984256086 /nfs/dbraw/zinc/25/60/86/984256086.db2.gz YWJMVUYBPKTMGG-DZRGJMJISA-N 1 1 411.542 3.934 20 30 HHEDMO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@H+]1CC[C@H]([C@H]3CCOC3)C1)CCCC2 ZINC000441665371 984382537 /nfs/dbraw/zinc/38/25/37/984382537.db2.gz RYWFONSJEFUPQE-OALUTQOASA-N 1 1 418.541 3.525 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C[C@@H]1C ZINC000461675921 984693009 /nfs/dbraw/zinc/69/30/09/984693009.db2.gz ZYFYPYROJUTNSU-NYVOZVTQSA-N 1 1 422.577 3.695 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461924054 984934182 /nfs/dbraw/zinc/93/41/82/984934182.db2.gz ZLGRVDLDOKEWCU-SJORKVTESA-N 1 1 409.452 3.776 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000462087046 985058894 /nfs/dbraw/zinc/05/88/94/985058894.db2.gz APVVZILYOZATHG-HNNXBMFYSA-N 1 1 412.457 3.516 20 30 HHEDMO 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ZINC000443889895 986090696 /nfs/dbraw/zinc/09/06/96/986090696.db2.gz RUCGKFCXTKIPPW-UHFFFAOYSA-N 1 1 404.461 3.502 20 30 HHEDMO COC(=O)c1ccccc1CC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000463223383 986193138 /nfs/dbraw/zinc/19/31/38/986193138.db2.gz SVKFPTCDTHTJFT-UHFFFAOYSA-N 1 1 416.481 3.850 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@](CO)(c3ccccc3)C2)sc2c1CCCCC2 ZINC000463364626 986331096 /nfs/dbraw/zinc/33/10/96/986331096.db2.gz FCNOKLDNMJCEHX-DEOSSOPVSA-N 1 1 423.582 3.853 20 30 HHEDMO N#C[C@@H]1N(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCC[C@@]12CCCCO2 ZINC000468637723 986354109 /nfs/dbraw/zinc/35/41/09/986354109.db2.gz KFOXQNKRXFJLHN-IZIIKQMZSA-N 1 1 410.562 3.947 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463429895 986401277 /nfs/dbraw/zinc/40/12/77/986401277.db2.gz LOPHOSPGLLSRIH-PXDATVDWSA-N 1 1 405.542 3.639 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000444220023 986404513 /nfs/dbraw/zinc/40/45/13/986404513.db2.gz BKDJVEHWTCLKJI-LJQANCHMSA-N 1 1 408.571 3.837 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000463502419 986478052 /nfs/dbraw/zinc/47/80/52/986478052.db2.gz UFARRBYVNCOIOU-KDURUIRLSA-N 1 1 424.541 3.799 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000463502419 986478055 /nfs/dbraw/zinc/47/80/55/986478055.db2.gz UFARRBYVNCOIOU-KDURUIRLSA-N 1 1 424.541 3.799 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000463502420 986478172 /nfs/dbraw/zinc/47/81/72/986478172.db2.gz UFARRBYVNCOIOU-OALUTQOASA-N 1 1 424.541 3.799 20 30 HHEDMO C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000468898988 986605057 /nfs/dbraw/zinc/60/50/57/986605057.db2.gz HEYLDAFEPZAOPJ-UWJYYQICSA-N 1 1 400.482 3.854 20 30 HHEDMO COc1cc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000444679764 986860986 /nfs/dbraw/zinc/86/09/86/986860986.db2.gz BYZWTUOUZSKFJE-UHFFFAOYSA-N 1 1 419.525 3.590 20 30 HHEDMO COc1cc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000444679764 986860997 /nfs/dbraw/zinc/86/09/97/986860997.db2.gz BYZWTUOUZSKFJE-UHFFFAOYSA-N 1 1 419.525 3.590 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H](c4nccn4C)C3)sc2C1 ZINC000444791410 986946221 /nfs/dbraw/zinc/94/62/21/986946221.db2.gz BMFAGBNQRFAZDI-HOTGVXAUSA-N 1 1 411.575 3.686 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[N@H+]1CC(C)(C)O ZINC000444899569 987048632 /nfs/dbraw/zinc/04/86/32/987048632.db2.gz IJZYLFLZDXWISH-QGZVFWFLSA-N 1 1 408.502 3.659 20 30 HHEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000470006662 987619004 /nfs/dbraw/zinc/61/90/04/987619004.db2.gz SOCICCZYTWDFAR-KRWDZBQOSA-N 1 1 404.297 3.635 20 30 HHEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000470006662 987619011 /nfs/dbraw/zinc/61/90/11/987619011.db2.gz SOCICCZYTWDFAR-KRWDZBQOSA-N 1 1 404.297 3.635 20 30 HHEDMO CCCN(C(=O)[C@@H](C)c1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000463816819 987913223 /nfs/dbraw/zinc/91/32/23/987913223.db2.gz JUUDBEVROMDPJY-SFHVURJKSA-N 1 1 405.546 3.976 20 30 HHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)c1C ZINC000464025781 988138048 /nfs/dbraw/zinc/13/80/48/988138048.db2.gz QKVMEEFVUFPVDK-UHFFFAOYSA-N 1 1 401.470 3.868 20 30 HHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000470214607 988140052 /nfs/dbraw/zinc/14/00/52/988140052.db2.gz FUPRNEYYQXPVSZ-FQEVSTJZSA-N 1 1 403.526 3.941 20 30 HHEDMO N#Cc1ccc(F)c(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000464048588 988170119 /nfs/dbraw/zinc/17/01/19/988170119.db2.gz IIOUFVWTUKZLSE-HXUWFJFHSA-N 1 1 405.395 3.768 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1Cl ZINC000470365883 988330017 /nfs/dbraw/zinc/33/00/17/988330017.db2.gz AVJNAEXIMUVHHB-INIZCTEOSA-N 1 1 405.926 3.559 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1Cl ZINC000470365883 988330033 /nfs/dbraw/zinc/33/00/33/988330033.db2.gz AVJNAEXIMUVHHB-INIZCTEOSA-N 1 1 405.926 3.559 20 30 HHEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000470492076 988484569 /nfs/dbraw/zinc/48/45/69/988484569.db2.gz CUZSNINQKLUXMI-GOSISDBHSA-N 1 1 405.498 3.676 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)ccc1Cl ZINC000464501383 988677669 /nfs/dbraw/zinc/67/76/69/988677669.db2.gz VGFCSINLDGRECG-GOSISDBHSA-N 1 1 419.953 3.949 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)ccc1Cl ZINC000464501383 988677674 /nfs/dbraw/zinc/67/76/74/988677674.db2.gz VGFCSINLDGRECG-GOSISDBHSA-N 1 1 419.953 3.949 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C#N ZINC000470974682 989038881 /nfs/dbraw/zinc/03/88/81/989038881.db2.gz KLCSAEODILFYMN-OAQYLSRUSA-N 1 1 419.573 3.568 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000464821307 989058105 /nfs/dbraw/zinc/05/81/05/989058105.db2.gz GWZAJNIQQSSEDA-ICSRJNTNSA-N 1 1 410.905 3.539 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000464821307 989058118 /nfs/dbraw/zinc/05/81/18/989058118.db2.gz GWZAJNIQQSSEDA-ICSRJNTNSA-N 1 1 410.905 3.539 20 30 HHEDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464824131 989061763 /nfs/dbraw/zinc/06/17/63/989061763.db2.gz UFWPRGJPGYFZMN-QUCCMNQESA-N 1 1 408.458 3.704 20 30 HHEDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000464824131 989061769 /nfs/dbraw/zinc/06/17/69/989061769.db2.gz UFWPRGJPGYFZMN-QUCCMNQESA-N 1 1 408.458 3.704 20 30 HHEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000471002169 989069183 /nfs/dbraw/zinc/06/91/83/989069183.db2.gz WXAZNMHEILPXOH-HXUWFJFHSA-N 1 1 400.885 3.690 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000465554917 989918449 /nfs/dbraw/zinc/91/84/49/989918449.db2.gz IAHFYTZIRAZLTP-IBGZPJMESA-N 1 1 406.530 3.811 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000465637968 990024946 /nfs/dbraw/zinc/02/49/46/990024946.db2.gz QTGDGGRBVFISEB-DNQXCXABSA-N 1 1 418.541 3.500 20 30 HHEDMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)CC2)[nH+]1 ZINC000465974309 991127303 /nfs/dbraw/zinc/12/73/03/991127303.db2.gz AKANNCYKDMUKHV-FCHUYYIVSA-N 1 1 403.530 3.840 20 30 HHEDMO C[C@H]1C[C@H](N(C)C(=O)NCCOc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000466107801 991285351 /nfs/dbraw/zinc/28/53/51/991285351.db2.gz OKJZAXIWSZHXIQ-SIKLNZKXSA-N 1 1 406.530 3.632 20 30 HHEDMO Cc1ccc(O[C@H](C)CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000466171568 991363697 /nfs/dbraw/zinc/36/36/97/991363697.db2.gz UKFURCAAITWWLA-HXUWFJFHSA-N 1 1 406.530 3.552 20 30 HHEDMO N#Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccc1OCC(F)(F)F ZINC000466292236 991541672 /nfs/dbraw/zinc/54/16/72/991541672.db2.gz YJELRXVDFZZXHR-QGZVFWFLSA-N 1 1 410.440 3.885 20 30 HHEDMO CSc1ccc(F)cc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466824216 992131872 /nfs/dbraw/zinc/13/18/72/992131872.db2.gz RKZNFRTXWQJWFN-UHFFFAOYSA-N 1 1 412.534 3.837 20 30 HHEDMO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000466945151 992256458 /nfs/dbraw/zinc/25/64/58/992256458.db2.gz ABHFCQUSISHDBK-NRFANRHFSA-N 1 1 408.546 3.789 20 30 HHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000466945151 992256466 /nfs/dbraw/zinc/25/64/66/992256466.db2.gz ABHFCQUSISHDBK-NRFANRHFSA-N 1 1 408.546 3.789 20 30 HHEDMO CC(C)C[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000467165529 992483532 /nfs/dbraw/zinc/48/35/32/992483532.db2.gz MTYAXHKHRMMHPS-MOPGFXCFSA-N 1 1 412.578 3.724 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000467756108 993000823 /nfs/dbraw/zinc/00/08/23/993000823.db2.gz CSACTPMSNBANPB-QAPCUYQASA-N 1 1 406.555 3.945 20 30 HHEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000472207245 993240548 /nfs/dbraw/zinc/24/05/48/993240548.db2.gz LUOMVLIAGVIIMP-HSZRJFAPSA-N 1 1 412.493 3.782 20 30 HHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000472207245 993240553 /nfs/dbraw/zinc/24/05/53/993240553.db2.gz LUOMVLIAGVIIMP-HSZRJFAPSA-N 1 1 412.493 3.782 20 30 HHEDMO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(C(=O)N(C)C)cc1 ZINC000472239520 993267501 /nfs/dbraw/zinc/26/75/01/993267501.db2.gz KYMICECKDNYQLM-UHFFFAOYSA-N 1 1 416.525 3.962 20 30 HHEDMO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(C(=O)N(C)C)cc1 ZINC000472239520 993267511 /nfs/dbraw/zinc/26/75/11/993267511.db2.gz KYMICECKDNYQLM-UHFFFAOYSA-N 1 1 416.525 3.962 20 30 HHEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000472355326 993355287 /nfs/dbraw/zinc/35/52/87/993355287.db2.gz WZXWJDVIULMSMO-UBFVSLLYSA-N 1 1 412.537 3.754 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000472445611 993448443 /nfs/dbraw/zinc/44/84/43/993448443.db2.gz XHOUHEKZSWDSJX-UHFFFAOYSA-N 1 1 415.497 3.950 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472459638 993461616 /nfs/dbraw/zinc/46/16/16/993461616.db2.gz OIYPONPNOSPWBY-IEBWSBKVSA-N 1 1 400.592 3.683 20 30 HHEDMO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000472838520 993773357 /nfs/dbraw/zinc/77/33/57/993773357.db2.gz YYNQSORDEHNHRQ-HXUWFJFHSA-N 1 1 421.541 3.623 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(Br)c1 ZINC000481060111 993901338 /nfs/dbraw/zinc/90/13/38/993901338.db2.gz PTMAKVJYENTTQD-UHFFFAOYSA-N 1 1 414.303 3.877 20 30 HHEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)nc1 ZINC000481149858 993984186 /nfs/dbraw/zinc/98/41/86/993984186.db2.gz ZGHHBFVLHQNEJM-QGZVFWFLSA-N 1 1 413.319 3.875 20 30 HHEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)nc1 ZINC000481149858 993984194 /nfs/dbraw/zinc/98/41/94/993984194.db2.gz ZGHHBFVLHQNEJM-QGZVFWFLSA-N 1 1 413.319 3.875 20 30 HHEDMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)c1ccsc1 ZINC000473099943 994004064 /nfs/dbraw/zinc/00/40/64/994004064.db2.gz BPOSSCNGDQMEEM-QFIPXVFZSA-N 1 1 417.534 3.506 20 30 HHEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182115 994012641 /nfs/dbraw/zinc/01/26/41/994012641.db2.gz OXIPMWNHVFFACA-GPECBGNPSA-N 1 1 410.606 3.806 20 30 HHEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182115 994012649 /nfs/dbraw/zinc/01/26/49/994012649.db2.gz OXIPMWNHVFFACA-GPECBGNPSA-N 1 1 410.606 3.806 20 30 HHEDMO C=CCC[C@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccccc1 ZINC000481205612 994038805 /nfs/dbraw/zinc/03/88/05/994038805.db2.gz WKCRAXIIKGQNQB-NRFANRHFSA-N 1 1 420.488 3.760 20 30 HHEDMO C[C@@H]1[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCN1c1ccccc1 ZINC000473386906 994241763 /nfs/dbraw/zinc/24/17/63/994241763.db2.gz HRNPYRLDJSPODL-HYBUGGRVSA-N 1 1 402.542 3.508 20 30 HHEDMO C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCN1c1ccccc1 ZINC000473386906 994241774 /nfs/dbraw/zinc/24/17/74/994241774.db2.gz HRNPYRLDJSPODL-HYBUGGRVSA-N 1 1 402.542 3.508 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)Cc1cccc(OC)c1OC)c1ccc(F)c(F)c1 ZINC000481631318 994497520 /nfs/dbraw/zinc/49/75/20/994497520.db2.gz XOEHBFJLIZHRER-NRFANRHFSA-N 1 1 404.457 3.847 20 30 HHEDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000482096956 995040677 /nfs/dbraw/zinc/04/06/77/995040677.db2.gz SMTQMKDTFOQDKV-ROUUACIJSA-N 1 1 407.514 3.964 20 30 HHEDMO COc1cccc([C@@H]2[C@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)CC[N@H+]2C2CC2)c1 ZINC000474156273 995140245 /nfs/dbraw/zinc/14/02/45/995140245.db2.gz DULDPBMZGGLIKC-DHIUTWEWSA-N 1 1 401.510 3.693 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000474221840 995216184 /nfs/dbraw/zinc/21/61/84/995216184.db2.gz AASABJOGOQEOHP-HSZRJFAPSA-N 1 1 420.557 3.538 20 30 HHEDMO N#Cc1ccc(OCCNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000482616571 995612818 /nfs/dbraw/zinc/61/28/18/995612818.db2.gz VCKWOAIXOCNAKV-VWNXMTODSA-N 1 1 418.541 3.633 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2cnc3ccc(C#N)cn23)c1 ZINC000482675872 995668589 /nfs/dbraw/zinc/66/85/89/995668589.db2.gz DWZUOVVSAOMKFZ-MRXNPFEDSA-N 1 1 420.492 3.770 20 30 HHEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000474868289 995764359 /nfs/dbraw/zinc/76/43/59/995764359.db2.gz KBDDLTWBPKFFEW-QFIPXVFZSA-N 1 1 404.558 3.528 20 30 HHEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)cc1OC ZINC000482826368 995774984 /nfs/dbraw/zinc/77/49/84/995774984.db2.gz KSZMLALNGXMBRS-URXFXBBRSA-N 1 1 422.525 3.976 20 30 HHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000482968988 995889387 /nfs/dbraw/zinc/88/93/87/995889387.db2.gz ZPXAVEAZNJTLIF-LPRCSBTHSA-N 1 1 407.356 3.814 20 30 HHEDMO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000483061356 995948139 /nfs/dbraw/zinc/94/81/39/995948139.db2.gz PJWYGKVNGDGKOS-REWPJTCUSA-N 1 1 405.542 3.543 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](CC(N)=O)c1ccccc1 ZINC000483105119 995977111 /nfs/dbraw/zinc/97/71/11/995977111.db2.gz XVOKAFGGSBXTAT-IBGZPJMESA-N 1 1 424.570 3.766 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000483126963 995991759 /nfs/dbraw/zinc/99/17/59/995991759.db2.gz VXDNAVBHAYTOJD-VQIMIIECSA-N 1 1 410.543 3.568 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000483126963 995991764 /nfs/dbraw/zinc/99/17/64/995991764.db2.gz VXDNAVBHAYTOJD-VQIMIIECSA-N 1 1 410.543 3.568 20 30 HHEDMO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000483178590 996020495 /nfs/dbraw/zinc/02/04/95/996020495.db2.gz MSBCXIWFWHEOGE-OIBXWCBGSA-N 1 1 405.542 3.762 20 30 HHEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000475288372 996047080 /nfs/dbraw/zinc/04/70/80/996047080.db2.gz SKUUBJBLSCEKAB-UHFFFAOYSA-N 1 1 420.557 3.966 20 30 HHEDMO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000475359835 996089035 /nfs/dbraw/zinc/08/90/35/996089035.db2.gz ZGJGWPIPXCTWRE-QHCPKHFHSA-N 1 1 410.949 3.559 20 30 HHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000475464385 996158403 /nfs/dbraw/zinc/15/84/03/996158403.db2.gz OWXKEAPBWGMIAZ-FQEVSTJZSA-N 1 1 420.513 3.622 20 30 HHEDMO N#Cc1ccc(Cl)c(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000475552471 996215590 /nfs/dbraw/zinc/21/55/90/996215590.db2.gz ZARNVTNRUDENGS-UHFFFAOYSA-N 1 1 424.353 3.808 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)CC3(C#N)CCCCC3)cc2)C1 ZINC000475562208 996220069 /nfs/dbraw/zinc/22/00/69/996220069.db2.gz MYLWZDLQIMFMLT-LJQANCHMSA-N 1 1 403.592 3.812 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1C#N ZINC000475724894 996325219 /nfs/dbraw/zinc/32/52/19/996325219.db2.gz MGNIUSXVHZWLPB-HSZRJFAPSA-N 1 1 400.567 3.903 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475752494 996348975 /nfs/dbraw/zinc/34/89/75/996348975.db2.gz ZMYLVNMOXMKUCR-CJFMBICVSA-N 1 1 402.542 3.873 20 30 HHEDMO C[N@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000475784702 996369827 /nfs/dbraw/zinc/36/98/27/996369827.db2.gz DDONWJOHHCHDEP-UHFFFAOYSA-N 1 1 417.962 3.744 20 30 HHEDMO C[N@@H+](CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)Cc1ccc(F)cc1 ZINC000483853514 996427878 /nfs/dbraw/zinc/42/78/78/996427878.db2.gz ODWJRLBDBXPYJO-UHFFFAOYSA-N 1 1 423.517 3.998 20 30 HHEDMO COc1ccc(F)c(N2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000484301382 996689922 /nfs/dbraw/zinc/68/99/22/996689922.db2.gz HIXTZFXAHNPPQU-UHFFFAOYSA-N 1 1 416.884 3.510 20 30 HHEDMO CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000476329114 996760322 /nfs/dbraw/zinc/76/03/22/996760322.db2.gz HEUMKXOPNJOAQN-DHIUTWEWSA-N 1 1 405.542 3.897 20 30 HHEDMO CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000476329114 996760326 /nfs/dbraw/zinc/76/03/26/996760326.db2.gz HEUMKXOPNJOAQN-DHIUTWEWSA-N 1 1 405.542 3.897 20 30 HHEDMO N#CC1(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000476409607 996870279 /nfs/dbraw/zinc/87/02/79/996870279.db2.gz BUQRPKJLZYLLBP-FCHUYYIVSA-N 1 1 415.603 3.777 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000476457050 996930980 /nfs/dbraw/zinc/93/09/80/996930980.db2.gz JZTFCJPSAFNZJH-GOSISDBHSA-N 1 1 415.459 3.973 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000476457050 996930994 /nfs/dbraw/zinc/93/09/94/996930994.db2.gz JZTFCJPSAFNZJH-GOSISDBHSA-N 1 1 415.459 3.973 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)cc1 ZINC000476841161 997403592 /nfs/dbraw/zinc/40/35/92/997403592.db2.gz GFLWBNBDRWGFPP-UHFFFAOYSA-N 1 1 410.525 3.611 20 30 HHEDMO N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000485095481 997471189 /nfs/dbraw/zinc/47/11/89/997471189.db2.gz SNIMYHZIFCOUDG-UHFFFAOYSA-N 1 1 420.410 3.867 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477047903 997685613 /nfs/dbraw/zinc/68/56/13/997685613.db2.gz JJDNLRZUSSJEKK-XMMPIXPASA-N 1 1 424.520 3.936 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477047903 997685620 /nfs/dbraw/zinc/68/56/20/997685620.db2.gz JJDNLRZUSSJEKK-XMMPIXPASA-N 1 1 424.520 3.936 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477056825 997700852 /nfs/dbraw/zinc/70/08/52/997700852.db2.gz LJIIWOHLEJOBOY-XMMPIXPASA-N 1 1 424.520 3.936 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477056825 997700866 /nfs/dbraw/zinc/70/08/66/997700866.db2.gz LJIIWOHLEJOBOY-XMMPIXPASA-N 1 1 424.520 3.936 20 30 HHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000477068940 997716762 /nfs/dbraw/zinc/71/67/62/997716762.db2.gz KERBISIYRRYXMW-GMYLUUGSSA-N 1 1 415.584 3.867 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000477075333 997725840 /nfs/dbraw/zinc/72/58/40/997725840.db2.gz ZVPJIUBNAYDORY-RUZDIDTESA-N 1 1 402.542 3.875 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000477075333 997725854 /nfs/dbraw/zinc/72/58/54/997725854.db2.gz ZVPJIUBNAYDORY-RUZDIDTESA-N 1 1 402.542 3.875 20 30 HHEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485350156 997771679 /nfs/dbraw/zinc/77/16/79/997771679.db2.gz QHCFKQHTHGZMIW-VXNXHJTFSA-N 1 1 403.526 3.759 20 30 HHEDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](CCCOc3cccc(C#N)c3)CC2)cs1 ZINC000477274302 997952448 /nfs/dbraw/zinc/95/24/48/997952448.db2.gz YBLLRCUHQVNRGQ-GOSISDBHSA-N 1 1 414.575 3.699 20 30 HHEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000477568221 998285905 /nfs/dbraw/zinc/28/59/05/998285905.db2.gz JLDDVEIMTSNORQ-FQEVSTJZSA-N 1 1 404.407 3.977 20 30 HHEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000477568221 998285913 /nfs/dbraw/zinc/28/59/13/998285913.db2.gz JLDDVEIMTSNORQ-FQEVSTJZSA-N 1 1 404.407 3.977 20 30 HHEDMO Cn1c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc2ccc(Br)cc21 ZINC000485832706 998298833 /nfs/dbraw/zinc/29/88/33/998298833.db2.gz YVIBUZZPUSGQIV-UHFFFAOYSA-N 1 1 424.346 3.525 20 30 HHEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000485860535 998321634 /nfs/dbraw/zinc/32/16/34/998321634.db2.gz UDVJOTCZDDYTNV-QGZVFWFLSA-N 1 1 409.530 3.881 20 30 HHEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000485860535 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405.502 3.614 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)C2)n1 ZINC000478024845 998719666 /nfs/dbraw/zinc/71/96/66/998719666.db2.gz FYJFQUOYOCGFMV-SFHVURJKSA-N 1 1 411.937 3.832 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000478058186 998741203 /nfs/dbraw/zinc/74/12/03/998741203.db2.gz KSQVPXLSDRVYTO-YLJYHZDGSA-N 1 1 400.592 3.702 20 30 HHEDMO C=CCOc1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486440810 998769802 /nfs/dbraw/zinc/76/98/02/998769802.db2.gz WOOIYBCZCXLINR-WZONZLPQSA-N 1 1 403.486 3.645 20 30 HHEDMO CCn1c(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)nc2cc(C#N)ccc21 ZINC000486463021 998781117 /nfs/dbraw/zinc/78/11/17/998781117.db2.gz RGQLKPSJJMDASW-UHFFFAOYSA-N 1 1 407.384 3.698 20 30 HHEDMO Clc1cccc(C#CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c1 ZINC000486846812 998970593 /nfs/dbraw/zinc/97/05/93/998970593.db2.gz ZLSRDEFJSRVZMT-VGOFRKELSA-N 1 1 405.889 3.585 20 30 HHEDMO C=CCNc1ncc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000478566058 999027493 /nfs/dbraw/zinc/02/74/93/999027493.db2.gz OYEBHYXMXLBWGL-CXAGYDPISA-N 1 1 408.930 3.956 20 30 HHEDMO C=CCNc1ncc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000478566058 999027498 /nfs/dbraw/zinc/02/74/98/999027498.db2.gz OYEBHYXMXLBWGL-CXAGYDPISA-N 1 1 408.930 3.956 20 30 HHEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000487086725 999058648 /nfs/dbraw/zinc/05/86/48/999058648.db2.gz LMCYMDZLHGYFNC-ZJSXRUAMSA-N 1 1 405.542 3.642 20 30 HHEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000487112895 999066307 /nfs/dbraw/zinc/06/63/07/999066307.db2.gz LQHPQGFLCYREDW-LJQANCHMSA-N 1 1 419.525 3.870 20 30 HHEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000487246319 999111027 /nfs/dbraw/zinc/11/10/27/999111027.db2.gz XUCUIFZPXHTDFP-UHFFFAOYSA-N 1 1 410.543 3.744 20 30 HHEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000479040864 999262207 /nfs/dbraw/zinc/26/22/07/999262207.db2.gz DFZZAEXTACQRCI-RTBURBONSA-N 1 1 400.567 3.614 20 30 HHEDMO Cc1ccc2ncc(C#N)c(N3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)c2c1 ZINC000488122483 999383154 /nfs/dbraw/zinc/38/31/54/999383154.db2.gz GRRKCJKAEZXYRR-RTBURBONSA-N 1 1 408.546 3.510 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@@H](CO)[C@@H]3C)sc2C1 ZINC000488712488 999584588 /nfs/dbraw/zinc/58/45/88/999584588.db2.gz AREZYXIYMKTBHQ-HRCADAONSA-N 1 1 403.592 3.802 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@@H](CO)[C@@H]3C)sc2C1 ZINC000488712488 999584590 /nfs/dbraw/zinc/58/45/90/999584590.db2.gz AREZYXIYMKTBHQ-HRCADAONSA-N 1 1 403.592 3.802 20 30 HHEDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000480096617 999716119 /nfs/dbraw/zinc/71/61/19/999716119.db2.gz WQHWDGYHUAAUEZ-UHFFFAOYSA-N 1 1 402.502 3.768 20 30 HHEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000489203422 999721684 /nfs/dbraw/zinc/72/16/84/999721684.db2.gz FPVVACNPBXOABC-SFHVURJKSA-N 1 1 417.575 3.833 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@H]1CCO[C@@H]1C ZINC000489398088 999758801 /nfs/dbraw/zinc/75/88/01/999758801.db2.gz HOHTVLHCIFGPKI-NQIIRXRSSA-N 1 1 416.566 3.546 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@H]1CCO[C@@H]1C ZINC000489398088 999758803 /nfs/dbraw/zinc/75/88/03/999758803.db2.gz HOHTVLHCIFGPKI-NQIIRXRSSA-N 1 1 416.566 3.546 20 30 HHEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1scnc1C ZINC000489438743 999767490 /nfs/dbraw/zinc/76/74/90/999767490.db2.gz PPRKRAUAJFBFDW-UHFFFAOYSA-N 1 1 418.588 3.741 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000489539527 999787891 /nfs/dbraw/zinc/78/78/91/999787891.db2.gz YPXDENOOMGMVBW-GCJKJVERSA-N 1 1 406.530 3.635 20 30 HHEDMO C=CCC[C@@H](C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000489597019 999799666 /nfs/dbraw/zinc/79/96/66/999799666.db2.gz WEIFWWGJDLBNRA-ZFGGDYGUSA-N 1 1 414.590 3.853 20 30 HHEDMO C=CCC[C@@H](C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000489597019 999799668 /nfs/dbraw/zinc/79/96/68/999799668.db2.gz WEIFWWGJDLBNRA-ZFGGDYGUSA-N 1 1 414.590 3.853 20 30 HHEDMO Cc1oc(NC(=O)[C@@H](C)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C#N)c1C ZINC000489677798 999815922 /nfs/dbraw/zinc/81/59/22/999815922.db2.gz LWENRUALMMHKTB-GOSISDBHSA-N 1 1 408.546 3.939 20 30 HHEDMO Cn1nc(-c2ccsc2)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000489700376 999820223 /nfs/dbraw/zinc/82/02/23/999820223.db2.gz CVBKAZNRNUYQMN-UHFFFAOYSA-N 1 1 420.542 3.760 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489844316 999848314 /nfs/dbraw/zinc/84/83/14/999848314.db2.gz LHGFWYDKPHHPMR-RDPSFJRHSA-N 1 1 420.557 3.627 20 30 HHEDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)C1 ZINC000480681742 999858062 /nfs/dbraw/zinc/85/80/62/999858062.db2.gz HJGHFQDHJHFCMV-HNNXBMFYSA-N 1 1 404.352 3.791 20 30 HHEDMO COc1cc(N[C@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)cc(OC)c1 ZINC000490014734 999877804 /nfs/dbraw/zinc/87/78/04/999877804.db2.gz CRHUBRKZARUIJW-SFHVURJKSA-N 1 1 419.485 3.702 20 30 HHEDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)cc(OC)c1 ZINC000490014734 999877806 /nfs/dbraw/zinc/87/78/06/999877806.db2.gz CRHUBRKZARUIJW-SFHVURJKSA-N 1 1 419.485 3.702 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](C(=O)c4ccc(F)cc4)C3)C2=O)cc1 ZINC000490016668 999878168 /nfs/dbraw/zinc/87/81/68/999878168.db2.gz ZANBDHYCAMYGDD-SIKLNZKXSA-N 1 1 405.473 3.788 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](C(=O)c4ccc(F)cc4)C3)C2=O)cc1 ZINC000490016668 999878170 /nfs/dbraw/zinc/87/81/70/999878170.db2.gz ZANBDHYCAMYGDD-SIKLNZKXSA-N 1 1 405.473 3.788 20 30 HHEDMO 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ZINC000492723304 1000141106 /nfs/dbraw/zinc/14/11/06/1000141106.db2.gz PPNMZIKWUCFIBW-MRXNPFEDSA-N 1 1 413.319 3.875 20 30 HHEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000492722515 1000141122 /nfs/dbraw/zinc/14/11/22/1000141122.db2.gz NGWBKPKCQJJZLT-UHFFFAOYSA-N 1 1 404.352 3.982 20 30 HHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000493636147 1000182466 /nfs/dbraw/zinc/18/24/66/1000182466.db2.gz QEYPIQAHZWKQBU-INIZCTEOSA-N 1 1 415.419 3.878 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000493918956 1000214264 /nfs/dbraw/zinc/21/42/64/1000214264.db2.gz BDJNAPKSCLGRCY-KKSFZXQISA-N 1 1 414.912 3.840 20 30 HHEDMO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000494071989 1000294725 /nfs/dbraw/zinc/29/47/25/1000294725.db2.gz JJLSFIJEPIJOLE-ZIAGYGMSSA-N 1 1 407.440 3.775 20 30 HHEDMO CC(C)C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)C ZINC000494780485 1000651618 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408.933 3.571 20 30 HHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2CC)cc1 ZINC000540634243 1011282540 /nfs/dbraw/zinc/28/25/40/1011282540.db2.gz KWACUXVUOYYIMZ-OAQYLSRUSA-N 1 1 421.545 3.956 20 30 HHEDMO C[N@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000536170886 1011302476 /nfs/dbraw/zinc/30/24/76/1011302476.db2.gz VTBYYNLYZJZGGP-WOJBJXKFSA-N 1 1 401.432 3.802 20 30 HHEDMO C[N@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000536170881 1011302550 /nfs/dbraw/zinc/30/25/50/1011302550.db2.gz VTBYYNLYZJZGGP-UXHICEINSA-N 1 1 401.432 3.802 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000536184813 1011321676 /nfs/dbraw/zinc/32/16/76/1011321676.db2.gz FMEYJBQWLNAAMP-OZOXKJRCSA-N 1 1 422.554 3.581 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H]1c1ccccc1 ZINC000536225442 1011373198 /nfs/dbraw/zinc/37/31/98/1011373198.db2.gz KYPYXXPZXUENFJ-AELPEBTASA-N 1 1 418.541 3.993 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H]1c1ccccc1 ZINC000536266113 1011435599 /nfs/dbraw/zinc/43/55/99/1011435599.db2.gz XIJDNOHIBRRAPB-JTHBVZDNSA-N 1 1 401.466 3.905 20 30 HHEDMO Cc1cc(NC(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)nn1CCC#N ZINC000540818089 1011479780 /nfs/dbraw/zinc/47/97/80/1011479780.db2.gz FAHRGIQTUTXQEX-HXUWFJFHSA-N 1 1 408.550 3.700 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000540826111 1011490250 /nfs/dbraw/zinc/49/02/50/1011490250.db2.gz FQBQMJRMJXORMC-HSZRJFAPSA-N 1 1 420.557 3.854 20 30 HHEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523083423 1011553763 /nfs/dbraw/zinc/55/37/63/1011553763.db2.gz CXTIGYZSKTWMIG-ZWKOTPCHSA-N 1 1 420.513 3.526 20 30 HHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523083420 1011553872 /nfs/dbraw/zinc/55/38/72/1011553872.db2.gz CXTIGYZSKTWMIG-MSOLQXFVSA-N 1 1 420.513 3.526 20 30 HHEDMO CC(C)[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccnc2)no1 ZINC000540984722 1011617764 /nfs/dbraw/zinc/61/77/64/1011617764.db2.gz YMIBLFMSYFJNRV-QFIPXVFZSA-N 1 1 416.529 3.955 20 30 HHEDMO C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[N@H+]1Cc1ccccc1 ZINC000541098503 1011744556 /nfs/dbraw/zinc/74/45/56/1011744556.db2.gz KSCDEURZRQKHSK-QFBILLFUSA-N 1 1 418.476 3.668 20 30 HHEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000536697578 1011866103 /nfs/dbraw/zinc/86/61/03/1011866103.db2.gz NHAUNRVRFCQMJJ-SFHVURJKSA-N 1 1 411.468 3.992 20 30 HHEDMO N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000536886798 1012137758 /nfs/dbraw/zinc/13/77/58/1012137758.db2.gz WDQYLFYIXQDKNJ-VWLOTQADSA-N 1 1 411.505 3.742 20 30 HHEDMO N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000536886798 1012137774 /nfs/dbraw/zinc/13/77/74/1012137774.db2.gz WDQYLFYIXQDKNJ-VWLOTQADSA-N 1 1 411.505 3.742 20 30 HHEDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552136575 1012155472 /nfs/dbraw/zinc/15/54/72/1012155472.db2.gz CTAWUWCDXCBKQX-BTYIYWSLSA-N 1 1 403.860 3.842 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000523610273 1012179806 /nfs/dbraw/zinc/17/98/06/1012179806.db2.gz JUOYRXSWYRGBPQ-WIYYLYMNSA-N 1 1 414.933 3.546 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000523610273 1012179827 /nfs/dbraw/zinc/17/98/27/1012179827.db2.gz JUOYRXSWYRGBPQ-WIYYLYMNSA-N 1 1 414.933 3.546 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000541490664 1012265497 /nfs/dbraw/zinc/26/54/97/1012265497.db2.gz MAVOFCNOUSICBU-NRFANRHFSA-N 1 1 422.529 3.760 20 30 HHEDMO N#Cc1ccc([C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cccn3)cc2)C(N)=O)cc1 ZINC000523735515 1012354739 /nfs/dbraw/zinc/35/47/39/1012354739.db2.gz PQLPKDZNOHFDMR-VWLOTQADSA-N 1 1 421.504 3.786 20 30 HHEDMO CN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000552363184 1012372951 /nfs/dbraw/zinc/37/29/51/1012372951.db2.gz FZFYBVKLFYBHMD-RTWAWAEBSA-N 1 1 402.970 3.621 20 30 HHEDMO N#Cc1ccc(OCC[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC000541587864 1012379124 /nfs/dbraw/zinc/37/91/24/1012379124.db2.gz UYVJPZQMLUCLKS-UHFFFAOYSA-N 1 1 411.097 3.647 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1C#N ZINC000541617682 1012423431 /nfs/dbraw/zinc/42/34/31/1012423431.db2.gz DNQNUTQYDDDLKE-VQTJNVASSA-N 1 1 400.567 3.759 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1C#N ZINC000541617682 1012423441 /nfs/dbraw/zinc/42/34/41/1012423441.db2.gz DNQNUTQYDDDLKE-VQTJNVASSA-N 1 1 400.567 3.759 20 30 HHEDMO N#Cc1cnn2cc(C[NH2+][C@H](Cn3cnc4ccccc43)c3ccc(F)cc3)cnc12 ZINC000552423838 1012442243 /nfs/dbraw/zinc/44/22/43/1012442243.db2.gz XPIZIRIUAKNSOP-OAQYLSRUSA-N 1 1 411.444 3.621 20 30 HHEDMO CC(C)COC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000523883268 1012584680 /nfs/dbraw/zinc/58/46/80/1012584680.db2.gz FAPPEUJSHCLLKL-JOCHJYFZSA-N 1 1 424.545 3.782 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(N[C@H]3CCCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000537295823 1012753677 /nfs/dbraw/zinc/75/36/77/1012753677.db2.gz REVDYUHVYJVONX-QFIPXVFZSA-N 1 1 422.960 3.961 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(NCc3cccnc3OCC(F)(F)F)CC2)cc1 ZINC000537296520 1012753970 /nfs/dbraw/zinc/75/39/70/1012753970.db2.gz COVZMQARSFXVLM-UHFFFAOYSA-N 1 1 404.436 3.649 20 30 HHEDMO C[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1Cc1ccccc1 ZINC000552803716 1012807874 /nfs/dbraw/zinc/80/78/74/1012807874.db2.gz LFCGIODVZXWBGD-QFIPXVFZSA-N 1 1 412.493 3.744 20 30 HHEDMO C[N@H+]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1Cc1ccccc1 ZINC000552803716 1012807891 /nfs/dbraw/zinc/80/78/91/1012807891.db2.gz LFCGIODVZXWBGD-QFIPXVFZSA-N 1 1 412.493 3.744 20 30 HHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](CC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)C2)C1 ZINC000541949148 1012809566 /nfs/dbraw/zinc/80/95/66/1012809566.db2.gz NLUYWGDNBUFXFA-HHJKRLRDSA-N 1 1 424.589 3.868 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000541949781 1012811283 /nfs/dbraw/zinc/81/12/83/1012811283.db2.gz XZOBNPZICYVEEK-HXUWFJFHSA-N 1 1 419.447 3.892 20 30 HHEDMO N#Cc1cc(F)cc(C2(C(=O)NC[C@H]([NH2+]Cc3ccccc3)c3ccco3)CC2)c1 ZINC000552873365 1012879919 /nfs/dbraw/zinc/87/99/19/1012879919.db2.gz SUDIYUVVNGTLNK-NRFANRHFSA-N 1 1 403.457 3.969 20 30 HHEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000542025746 1012919727 /nfs/dbraw/zinc/91/97/27/1012919727.db2.gz FIALOZMEPALPDD-BEFAXECRSA-N 1 1 424.936 3.878 20 30 HHEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000542035138 1012933939 /nfs/dbraw/zinc/93/39/39/1012933939.db2.gz VNXBOYQIQHEFKP-LJQANCHMSA-N 1 1 420.904 3.793 20 30 HHEDMO CN(C(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000537454210 1012947708 /nfs/dbraw/zinc/94/77/08/1012947708.db2.gz FEVXKWPOTAIMGI-JOCHJYFZSA-N 1 1 416.525 3.660 20 30 HHEDMO C=CCSc1ccccc1C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000553047484 1013023111 /nfs/dbraw/zinc/02/31/11/1013023111.db2.gz MRWSQVYPXJHFAV-QFIPXVFZSA-N 1 1 421.610 3.997 20 30 HHEDMO Cc1cccc(C[N@H+](C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1 ZINC000532922208 1071836769 /nfs/dbraw/zinc/83/67/69/1071836769.db2.gz ZCGSPFBEUVYDRU-FQEVSTJZSA-N 1 1 420.557 3.797 20 30 HHEDMO Cc1cccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1 ZINC000532922208 1071836773 /nfs/dbraw/zinc/83/67/73/1071836773.db2.gz ZCGSPFBEUVYDRU-FQEVSTJZSA-N 1 1 420.557 3.797 20 30 HHEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000729811886 1072127242 /nfs/dbraw/zinc/12/72/42/1072127242.db2.gz FNLQRURRANXXLO-KRWDZBQOSA-N 1 1 410.426 3.650 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000729811886 1072127246 /nfs/dbraw/zinc/12/72/46/1072127246.db2.gz FNLQRURRANXXLO-KRWDZBQOSA-N 1 1 410.426 3.650 20 30 HHEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168275517 1072156034 /nfs/dbraw/zinc/15/60/34/1072156034.db2.gz MGOILUZOCPTZHN-HUUCEWRRSA-N 1 1 411.449 3.653 20 30 HHEDMO COC(=O)[C@H](N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccc(C#N)c1 ZINC000612051721 1072219406 /nfs/dbraw/zinc/21/94/06/1072219406.db2.gz JURSPHRVMDXGBO-MOUTVQLLSA-N 1 1 403.526 3.663 20 30 HHEDMO N#CCOc1cccc(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000760392134 1072313971 /nfs/dbraw/zinc/31/39/71/1072313971.db2.gz IITDDJQBIVHRRI-VWLOTQADSA-N 1 1 403.526 3.646 20 30 HHEDMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001168296164 1072450895 /nfs/dbraw/zinc/45/08/95/1072450895.db2.gz UKANXUNRNGIXCO-CYFREDJKSA-N 1 1 419.573 3.823 20 30 HHEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000586872984 1072497658 /nfs/dbraw/zinc/49/76/58/1072497658.db2.gz CCSFGFKFVMEALJ-JOCHJYFZSA-N 1 1 420.532 3.567 20 30 HHEDMO CC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000586874867 1072499268 /nfs/dbraw/zinc/49/92/68/1072499268.db2.gz VTDYDXLMVYNKJF-OALUTQOASA-N 1 1 400.954 3.561 20 30 HHEDMO CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555093814 1073142530 /nfs/dbraw/zinc/14/25/30/1073142530.db2.gz YCNNKOBLIFZCAZ-NRFANRHFSA-N 1 1 400.530 3.795 20 30 HHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000589978993 1073456550 /nfs/dbraw/zinc/45/65/50/1073456550.db2.gz OCLBTRVVLAQTFU-HXUWFJFHSA-N 1 1 403.979 3.905 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000590097750 1073582849 /nfs/dbraw/zinc/58/28/49/1073582849.db2.gz UUHDBGSCTYQABO-AGILITTLSA-N 1 1 402.542 3.655 20 30 HHEDMO C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000573490816 1074526581 /nfs/dbraw/zinc/52/65/81/1074526581.db2.gz ZULZMUTZIJASGN-HXUWFJFHSA-N 1 1 405.546 3.943 20 30 HHEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000573523456 1074537809 /nfs/dbraw/zinc/53/78/09/1074537809.db2.gz CLOKTVMEFCOQSM-KRWDZBQOSA-N 1 1 408.502 3.526 20 30 HHEDMO C[C@H]1C[C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000573626732 1074594277 /nfs/dbraw/zinc/59/42/77/1074594277.db2.gz NNPJQFNBOUKWLP-UNMCSNQZSA-N 1 1 417.557 3.701 20 30 HHEDMO C=CCC[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000574306937 1075216849 /nfs/dbraw/zinc/21/68/49/1075216849.db2.gz MRCHVJNQPNXOAE-LADGPHEKSA-N 1 1 419.569 3.791 20 30 HHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211024 1075544185 /nfs/dbraw/zinc/54/41/85/1075544185.db2.gz KIHHLOASSHCABL-ZWKOTPCHSA-N 1 1 422.508 3.570 20 30 HHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211024 1075544189 /nfs/dbraw/zinc/54/41/89/1075544189.db2.gz KIHHLOASSHCABL-ZWKOTPCHSA-N 1 1 422.508 3.570 20 30 HHEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213552 1075544547 /nfs/dbraw/zinc/54/45/47/1075544547.db2.gz VTBWGKIHJOPPHZ-GOSISDBHSA-N 1 1 404.518 3.721 20 30 HHEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213552 1075544550 /nfs/dbraw/zinc/54/45/50/1075544550.db2.gz VTBWGKIHJOPPHZ-GOSISDBHSA-N 1 1 404.518 3.721 20 30 HHEDMO N#CC1(c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2)CCOCC1 ZINC001164628058 719094058 /nfs/dbraw/zinc/09/40/58/719094058.db2.gz LXQPWYZDZBUXDM-GMAHTHKFSA-N 1 1 402.542 3.754 20 30 HHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cnc(Cl)cc1C#N)CC2 ZINC001164651925 719313723 /nfs/dbraw/zinc/31/37/23/719313723.db2.gz KRKOIBDNZGFEKQ-UHFFFAOYSA-N 1 1 408.884 3.553 20 30 HHEDMO 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CCC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000047740196 968293816 /nfs/dbraw/zinc/29/38/16/968293816.db2.gz FXMXOFMGLZABEB-QFIPXVFZSA-N 1 1 419.525 3.905 20 30 HHEDMO Cc1cc(Br)ccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000048346152 968526220 /nfs/dbraw/zinc/52/62/20/968526220.db2.gz URBIKAHMUZUKBO-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO Cc1cc(Br)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000048346152 968526224 /nfs/dbraw/zinc/52/62/24/968526224.db2.gz URBIKAHMUZUKBO-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000078440907 968997831 /nfs/dbraw/zinc/99/78/31/968997831.db2.gz XNNXCTWAJJEOTR-ZWKOTPCHSA-N 1 1 407.514 3.676 20 30 HHEDMO C=C(C)COc1cc(CNc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)ccc1OC ZINC000554183988 1013842487 /nfs/dbraw/zinc/84/24/87/1013842487.db2.gz JIIOELPGGWAUGV-UHFFFAOYSA-N 1 1 423.557 3.926 20 30 HHEDMO N#Cc1cc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1Cl ZINC000108388514 969378646 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RNJCCCQHHZRXRQ-MRXNPFEDSA-N 1 1 404.518 3.652 20 30 HHEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1)C1CC1 ZINC000140118136 970062886 /nfs/dbraw/zinc/06/28/86/970062886.db2.gz QRMSRJIUVCSOLF-SFTDATJTSA-N 1 1 412.331 3.937 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000143757550 970208132 /nfs/dbraw/zinc/20/81/32/970208132.db2.gz CHUIEZKNMPLTTM-INIZCTEOSA-N 1 1 417.600 3.607 20 30 HHEDMO C#CCOc1ccccc1CNCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000237234337 970246628 /nfs/dbraw/zinc/24/66/28/970246628.db2.gz WYULSVWPQFPONR-UHFFFAOYSA-N 1 1 417.475 3.759 20 30 HHEDMO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237358556 970269764 /nfs/dbraw/zinc/26/97/64/970269764.db2.gz PKCDBKGVKJILEV-QHCPKHFHSA-N 1 1 406.507 3.850 20 30 HHEDMO COc1ccc(CNc2cccc(C[NH+]3CCN(C)CC3)c2)cc1OCCCC#N ZINC000237410068 970280544 /nfs/dbraw/zinc/28/05/44/970280544.db2.gz WEMDPEZWVIPPLX-UHFFFAOYSA-N 1 1 408.546 3.737 20 30 HHEDMO 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C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460564637 982349493 /nfs/dbraw/zinc/34/94/93/982349493.db2.gz XJLSAISAJNUTNT-SIKLNZKXSA-N 1 1 411.594 3.815 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1 ZINC000437897092 982446578 /nfs/dbraw/zinc/44/65/78/982446578.db2.gz NKTHYIDYTHYRDE-WIYYLYMNSA-N 1 1 410.468 3.610 20 30 HHEDMO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460783056 982535553 /nfs/dbraw/zinc/53/55/53/982535553.db2.gz CYLYMDFDKQIENG-GOSISDBHSA-N 1 1 413.591 3.828 20 30 HHEDMO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460801740 982554640 /nfs/dbraw/zinc/55/46/40/982554640.db2.gz YJMWDNGYLCITRW-RTBURBONSA-N 1 1 413.566 3.751 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460806084 982559449 /nfs/dbraw/zinc/55/94/49/982559449.db2.gz OHRKYIBHNAJQJV-ZWKOTPCHSA-N 1 1 401.530 3.881 20 30 HHEDMO 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SDWZPEZBEZLRHR-UHFFFAOYSA-N 1 1 424.976 3.672 20 30 HHEDMO C[N@@H+](CCNC(=O)C1CCN(Cc2ccc(C#N)cc2Cl)CC1)Cc1ccccc1 ZINC000439454593 983417702 /nfs/dbraw/zinc/41/77/02/983417702.db2.gz SDWZPEZBEZLRHR-UHFFFAOYSA-N 1 1 424.976 3.672 20 30 HHEDMO CCCc1c(NC(=O)N(C)CCCn2cc[nH+]c2C)cnn1-c1cccc(C#N)c1 ZINC000439691629 983504000 /nfs/dbraw/zinc/50/40/00/983504000.db2.gz HCKXEMOBMIYVTH-UHFFFAOYSA-N 1 1 405.506 3.755 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000440040911 983622585 /nfs/dbraw/zinc/62/25/85/983622585.db2.gz XVJVWQBFLCMFHA-UZLBHIALSA-N 1 1 424.932 3.662 20 30 HHEDMO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000440049387 983625461 /nfs/dbraw/zinc/62/54/61/983625461.db2.gz IUWPHGLNNDXPFZ-QFBILLFUSA-N 1 1 424.932 3.662 20 30 HHEDMO CC[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)Oc1cccc(F)c1 ZINC000440195003 983678305 /nfs/dbraw/zinc/67/83/05/983678305.db2.gz QXNJBIMXZKESGH-JOCHJYFZSA-N 1 1 424.520 3.772 20 30 HHEDMO Cc1cc[nH+]c(N2CCN(c3c(C#N)cnc4c(Br)cccc43)CC2)c1 ZINC000440673536 983847762 /nfs/dbraw/zinc/84/77/62/983847762.db2.gz RPWJZJMGPYNUJN-UHFFFAOYSA-N 1 1 408.303 3.899 20 30 HHEDMO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000441133126 984083857 /nfs/dbraw/zinc/08/38/57/984083857.db2.gz GXMWCEVSMGLYSO-GOSISDBHSA-N 1 1 400.548 3.774 20 30 HHEDMO CS[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000441133126 984083861 /nfs/dbraw/zinc/08/38/61/984083861.db2.gz GXMWCEVSMGLYSO-GOSISDBHSA-N 1 1 400.548 3.774 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441204548 984113922 /nfs/dbraw/zinc/11/39/22/984113922.db2.gz NIYYDRDEBAPDRC-PMACEKPBSA-N 1 1 424.545 3.695 20 30 HHEDMO N#Cc1c(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396162 984228583 /nfs/dbraw/zinc/22/85/83/984228583.db2.gz UDLKWAYNHSIEQF-OXJNMPFZSA-N 1 1 412.603 3.776 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)sc2c1CCCC2 ZINC000441396162 984228616 /nfs/dbraw/zinc/22/86/16/984228616.db2.gz UDLKWAYNHSIEQF-OXJNMPFZSA-N 1 1 412.603 3.776 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)sc2c1CCCC2 ZINC000441396162 984228623 /nfs/dbraw/zinc/22/86/23/984228623.db2.gz UDLKWAYNHSIEQF-OXJNMPFZSA-N 1 1 412.603 3.776 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000441420269 984241504 /nfs/dbraw/zinc/24/15/04/984241504.db2.gz YYDBTXJSIWXWQF-XMSQKQJNSA-N 1 1 414.981 3.844 20 30 HHEDMO N#Cc1cc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1OC(F)(F)F ZINC000441574184 984332926 /nfs/dbraw/zinc/33/29/26/984332926.db2.gz PNBBVJPHEJVLDP-GOSISDBHSA-N 1 1 419.403 3.686 20 30 HHEDMO N#Cc1cc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1OC(F)(F)F ZINC000441574184 984332932 /nfs/dbraw/zinc/33/29/32/984332932.db2.gz PNBBVJPHEJVLDP-GOSISDBHSA-N 1 1 419.403 3.686 20 30 HHEDMO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccccc1Cl ZINC000441585787 984339340 /nfs/dbraw/zinc/33/93/40/984339340.db2.gz DKLBITMNADZDJA-FQEVSTJZSA-N 1 1 412.921 3.658 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)[C@@H](C)C1 ZINC000461838571 984844165 /nfs/dbraw/zinc/84/41/65/984844165.db2.gz ZPSVSHQRJVGLKM-BWAGFHJFSA-N 1 1 422.577 3.552 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461924051 984933849 /nfs/dbraw/zinc/93/38/49/984933849.db2.gz ZLGRVDLDOKEWCU-DLBZAZTESA-N 1 1 409.452 3.776 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000462185987 985167683 /nfs/dbraw/zinc/16/76/83/985167683.db2.gz IXAVBWWFQUSGOJ-XMSQKQJNSA-N 1 1 415.493 3.981 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000462187491 985169674 /nfs/dbraw/zinc/16/96/74/985169674.db2.gz GISVYJCXKLIXHP-JPYJTQIMSA-N 1 1 415.493 3.981 20 30 HHEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1cccs1 ZINC000462304672 985290984 /nfs/dbraw/zinc/29/09/84/985290984.db2.gz XTNDNEQUYSSVBK-ACJLOTCBSA-N 1 1 409.964 3.635 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1C#N ZINC000443343879 985508895 /nfs/dbraw/zinc/50/88/95/985508895.db2.gz KFPLQWOAYYTSIW-RRMPHLOHSA-N 1 1 400.567 3.902 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1C#N ZINC000443343879 985508907 /nfs/dbraw/zinc/50/89/07/985508907.db2.gz KFPLQWOAYYTSIW-RRMPHLOHSA-N 1 1 400.567 3.902 20 30 HHEDMO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443368456 985529111 /nfs/dbraw/zinc/52/91/11/985529111.db2.gz JCKJDHJSCCKLPM-DOTOQJQBSA-N 1 1 403.935 3.543 20 30 HHEDMO C[N@@H+](CCNC(=O)C1CCN(c2cc(Cl)ccc2C#N)CC1)Cc1ccccc1 ZINC000462899773 985827233 /nfs/dbraw/zinc/82/72/33/985827233.db2.gz DFWMNZDORSOLCH-UHFFFAOYSA-N 1 1 410.949 3.676 20 30 HHEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000443673944 985881100 /nfs/dbraw/zinc/88/11/00/985881100.db2.gz IQVLZWIYRZZVRM-IYBDPMFKSA-N 1 1 414.468 3.889 20 30 HHEDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000443681271 985892725 /nfs/dbraw/zinc/89/27/25/985892725.db2.gz LYDMMNWDVYRRQC-BGYRXZFFSA-N 1 1 421.541 3.756 20 30 HHEDMO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000443887673 986088233 /nfs/dbraw/zinc/08/82/33/986088233.db2.gz WOOHHIRTSHJCQR-LJQANCHMSA-N 1 1 402.420 3.504 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444195453 986372176 /nfs/dbraw/zinc/37/21/76/986372176.db2.gz LFEDBLUYAWRRMU-GOSISDBHSA-N 1 1 417.985 3.698 20 30 HHEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000468759555 986473847 /nfs/dbraw/zinc/47/38/47/986473847.db2.gz ANJFDTUBZDACHW-ABAIWWIYSA-N 1 1 420.332 3.847 20 30 HHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000444386646 986561142 /nfs/dbraw/zinc/56/11/42/986561142.db2.gz SLPGKAGILDSEFB-SFHVURJKSA-N 1 1 407.514 3.576 20 30 HHEDMO CCOCCC[N@H+]1CC[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H](C)C1 ZINC000469138498 986858219 /nfs/dbraw/zinc/85/82/19/986858219.db2.gz WNGPHKJAHZGBCI-UGKGYDQZSA-N 1 1 412.578 3.818 20 30 HHEDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677693 986859436 /nfs/dbraw/zinc/85/94/36/986859436.db2.gz UOKCVIKAVGQNFQ-GOTSBHOMSA-N 1 1 406.526 3.929 20 30 HHEDMO C=CC[C@H]1[N@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCC1(C)C ZINC000444784709 986941486 /nfs/dbraw/zinc/94/14/86/986941486.db2.gz WIWCZXTYUCBAAP-OAQYLSRUSA-N 1 1 403.611 3.694 20 30 HHEDMO CC[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469258238 986976898 /nfs/dbraw/zinc/97/68/98/986976898.db2.gz JXJCMPNIALKIAD-NRFANRHFSA-N 1 1 400.482 3.950 20 30 HHEDMO CC[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000469258238 986976914 /nfs/dbraw/zinc/97/69/14/986976914.db2.gz JXJCMPNIALKIAD-NRFANRHFSA-N 1 1 400.482 3.950 20 30 HHEDMO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@H+]1CC(C)(C)O ZINC000444842298 987001338 /nfs/dbraw/zinc/00/13/38/987001338.db2.gz YJZWLASQXUOWQG-QGZVFWFLSA-N 1 1 408.502 3.659 20 30 HHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C1CC1 ZINC000469329891 987038054 /nfs/dbraw/zinc/03/80/54/987038054.db2.gz MJOHDWTVMGDYOV-QFIPXVFZSA-N 1 1 400.482 3.854 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)C1 ZINC000469429443 987116499 /nfs/dbraw/zinc/11/64/99/987116499.db2.gz DHRISEGSVYHEJG-DENIHFKCSA-N 1 1 410.562 3.812 20 30 HHEDMO C=CCOc1ccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000469870100 987508746 /nfs/dbraw/zinc/50/87/46/987508746.db2.gz HXUAHYPQGVZWIW-HXUWFJFHSA-N 1 1 412.555 3.607 20 30 HHEDMO C=CCOc1ccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1OC ZINC000469870100 987508749 /nfs/dbraw/zinc/50/87/49/987508749.db2.gz HXUAHYPQGVZWIW-HXUWFJFHSA-N 1 1 412.555 3.607 20 30 HHEDMO CN1CC[N@@H+](CCCNC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000470020301 987630719 /nfs/dbraw/zinc/63/07/19/987630719.db2.gz XNDSMAMVMOSRTG-DNQXCXABSA-N 1 1 404.558 3.569 20 30 HHEDMO C[N@@H+]1CCN(CCCNC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000470020301 987630728 /nfs/dbraw/zinc/63/07/28/987630728.db2.gz XNDSMAMVMOSRTG-DNQXCXABSA-N 1 1 404.558 3.569 20 30 HHEDMO C[N@H+]1CCN(CCCNC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000470020301 987630734 /nfs/dbraw/zinc/63/07/34/987630734.db2.gz XNDSMAMVMOSRTG-DNQXCXABSA-N 1 1 404.558 3.569 20 30 HHEDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000470043984 987932210 /nfs/dbraw/zinc/93/22/10/987932210.db2.gz HBEMHCIBZVBOHB-INIZCTEOSA-N 1 1 413.905 3.533 20 30 HHEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000470095947 987997132 /nfs/dbraw/zinc/99/71/32/987997132.db2.gz FNQIRIBHFBRIML-OAHLLOKOSA-N 1 1 400.441 3.501 20 30 HHEDMO C=C(C)CN1CCC([NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000470171360 988086910 /nfs/dbraw/zinc/08/69/10/988086910.db2.gz IXUYMBZSQRCJKJ-UHFFFAOYSA-N 1 1 417.189 3.924 20 30 HHEDMO COc1ccc([C@H](CO)[N@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 ZINC000470205309 988128385 /nfs/dbraw/zinc/12/83/85/988128385.db2.gz LWZATCWUAUUFPS-NRFANRHFSA-N 1 1 415.921 3.569 20 30 HHEDMO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 ZINC000470205309 988128389 /nfs/dbraw/zinc/12/83/89/988128389.db2.gz LWZATCWUAUUFPS-NRFANRHFSA-N 1 1 415.921 3.569 20 30 HHEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000470232130 988167136 /nfs/dbraw/zinc/16/71/36/988167136.db2.gz JOLAABHSFUSLBE-JOCHJYFZSA-N 1 1 403.526 3.941 20 30 HHEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000464108242 988228799 /nfs/dbraw/zinc/22/87/99/988228799.db2.gz CEBQWNZMRNLDBW-NRFANRHFSA-N 1 1 421.541 3.682 20 30 HHEDMO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000470462180 988448996 /nfs/dbraw/zinc/44/89/96/988448996.db2.gz POQWTVIJVGREHB-KDURUIRLSA-N 1 1 424.570 3.659 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470674018 988697968 /nfs/dbraw/zinc/69/79/68/988697968.db2.gz JFCNVSGHFLHGAE-JOCHJYFZSA-N 1 1 421.541 3.849 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464753991 988975394 /nfs/dbraw/zinc/97/53/94/988975394.db2.gz COGVMPOVASMYEP-GOSISDBHSA-N 1 1 417.538 3.797 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464753991 988975403 /nfs/dbraw/zinc/97/54/03/988975403.db2.gz COGVMPOVASMYEP-GOSISDBHSA-N 1 1 417.538 3.797 20 30 HHEDMO N#CCCN(C(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(Cl)c1 ZINC000470991436 989056299 /nfs/dbraw/zinc/05/62/99/989056299.db2.gz CZUTXERROHVJBJ-OYRHEFFESA-N 1 1 422.960 3.650 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000464821308 989059040 /nfs/dbraw/zinc/05/90/40/989059040.db2.gz GWZAJNIQQSSEDA-QUCCMNQESA-N 1 1 410.905 3.539 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000464821308 989059047 /nfs/dbraw/zinc/05/90/47/989059047.db2.gz GWZAJNIQQSSEDA-QUCCMNQESA-N 1 1 410.905 3.539 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000464833870 989074348 /nfs/dbraw/zinc/07/43/48/989074348.db2.gz SHJLJIXNJIDHLY-XPWALMASSA-N 1 1 406.526 3.935 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OC)c1 ZINC000464833870 989074365 /nfs/dbraw/zinc/07/43/65/989074365.db2.gz SHJLJIXNJIDHLY-XPWALMASSA-N 1 1 406.526 3.935 20 30 HHEDMO CC[NH+]1CCN(CCCCNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000464959568 989258483 /nfs/dbraw/zinc/25/84/83/989258483.db2.gz AAUPAKHLULPCRU-UHFFFAOYSA-N 1 1 420.557 3.807 20 30 HHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000471146597 989258855 /nfs/dbraw/zinc/25/88/55/989258855.db2.gz CPPQOACJFCOKHR-HXUWFJFHSA-N 1 1 400.885 3.690 20 30 HHEDMO Cc1ccc(-c2noc(CCC[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)n2)cc1F ZINC000471153844 989269696 /nfs/dbraw/zinc/26/96/96/989269696.db2.gz ZRPYMSMXYXQUPY-JOCHJYFZSA-N 1 1 419.504 3.999 20 30 HHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000464975119 989276185 /nfs/dbraw/zinc/27/61/85/989276185.db2.gz XMIYMCNKZYRCNZ-HSZRJFAPSA-N 1 1 420.557 3.661 20 30 HHEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000465153284 989483346 /nfs/dbraw/zinc/48/33/46/989483346.db2.gz GBPACRIRWUMHEZ-IERDGZPVSA-N 1 1 405.502 3.661 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000465416672 989763310 /nfs/dbraw/zinc/76/33/10/989763310.db2.gz ZIMDFQWXJOMIAD-YADHBBJMSA-N 1 1 410.562 3.503 20 30 HHEDMO C[C@@H]1C[NH+](Cc2ccccc2NCc2nnc(-c3cccc(C#N)c3)o2)C[C@@H](C)O1 ZINC000471624786 989832102 /nfs/dbraw/zinc/83/21/02/989832102.db2.gz JGXBNNJFCPCPED-IAGOWNOFSA-N 1 1 403.486 3.830 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000465554918 989918125 /nfs/dbraw/zinc/91/81/25/989918125.db2.gz IAHFYTZIRAZLTP-LJQANCHMSA-N 1 1 406.530 3.811 20 30 HHEDMO O=C(c1cc(C(F)(F)F)ccc1F)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000471807088 989990400 /nfs/dbraw/zinc/99/04/00/989990400.db2.gz AKTYJBQURMKAKX-UHFFFAOYSA-N 1 1 416.337 3.571 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000465630066 990016428 /nfs/dbraw/zinc/01/64/28/990016428.db2.gz BTZDHTMSLQEWNU-BJKOFHAPSA-N 1 1 418.541 3.500 20 30 HHEDMO CC[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471951324 990115393 /nfs/dbraw/zinc/11/53/93/990115393.db2.gz DHZGANYYKBMSKA-TZYHBYERSA-N 1 1 406.530 3.598 20 30 HHEDMO CC[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471951324 990115400 /nfs/dbraw/zinc/11/54/00/990115400.db2.gz DHZGANYYKBMSKA-TZYHBYERSA-N 1 1 406.530 3.598 20 30 HHEDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ncccc2OCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000471964678 990130444 /nfs/dbraw/zinc/13/04/44/990130444.db2.gz OUUXTAUBAREGNF-PKOBYXMFSA-N 1 1 413.909 3.984 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ncccc2OCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000471964678 990130451 /nfs/dbraw/zinc/13/04/51/990130451.db2.gz OUUXTAUBAREGNF-PKOBYXMFSA-N 1 1 413.909 3.984 20 30 HHEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCc1cc(C#N)ccc1F ZINC000466011283 991176155 /nfs/dbraw/zinc/17/61/55/991176155.db2.gz PBDIZHCUOWPENS-UHFFFAOYSA-N 1 1 406.461 3.922 20 30 HHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCc1cc(C#N)ccc1F ZINC000466011283 991176159 /nfs/dbraw/zinc/17/61/59/991176159.db2.gz PBDIZHCUOWPENS-UHFFFAOYSA-N 1 1 406.461 3.922 20 30 HHEDMO CCC(CC)c1cc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000466120276 991299636 /nfs/dbraw/zinc/29/96/36/991299636.db2.gz YLQQVKTWIRCWJL-UHFFFAOYSA-N 1 1 409.534 3.867 20 30 HHEDMO COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466155430 991341890 /nfs/dbraw/zinc/34/18/90/991341890.db2.gz WEQLMCHGUFLTAF-KRWDZBQOSA-N 1 1 410.493 3.684 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466531317 991830117 /nfs/dbraw/zinc/83/01/17/991830117.db2.gz TVINHQIFKSZBEZ-RXVVDRJESA-N 1 1 408.502 3.955 20 30 HHEDMO CCN(C(=O)Nc1ncccc1OCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466622374 991938274 /nfs/dbraw/zinc/93/82/74/991938274.db2.gz CSTFLPMUKZAOHD-FQEVSTJZSA-N 1 1 407.518 3.892 20 30 HHEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000466939505 992249977 /nfs/dbraw/zinc/24/99/77/992249977.db2.gz RVQHYYJPJPTAAJ-GAJHUEQPSA-N 1 1 406.505 3.892 20 30 HHEDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000467126272 992442933 /nfs/dbraw/zinc/44/29/33/992442933.db2.gz QDBBFBDNIBXLKL-YOEHRIQHSA-N 1 1 423.460 3.518 20 30 HHEDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000467126272 992442938 /nfs/dbraw/zinc/44/29/38/992442938.db2.gz QDBBFBDNIBXLKL-YOEHRIQHSA-N 1 1 423.460 3.518 20 30 HHEDMO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C[C@@H]1CCCOC1 ZINC000467151745 992467817 /nfs/dbraw/zinc/46/78/17/992467817.db2.gz LVMVARQPFIIYMZ-SFHVURJKSA-N 1 1 406.530 3.525 20 30 HHEDMO Cc1nc(SCC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755812 993000417 /nfs/dbraw/zinc/00/04/17/993000417.db2.gz SRCLSCFNAGFJKN-MGPUTAFESA-N 1 1 408.571 3.750 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000472283355 993301260 /nfs/dbraw/zinc/30/12/60/993301260.db2.gz IPNPHUJLOXNBEC-UHFFFAOYSA-N 1 1 408.502 3.830 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472283355 993301266 /nfs/dbraw/zinc/30/12/66/993301266.db2.gz IPNPHUJLOXNBEC-UHFFFAOYSA-N 1 1 408.502 3.830 20 30 HHEDMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(C#N)ccc3OC)CC[N@H+]2C2CC2)c1 ZINC000472310594 993322098 /nfs/dbraw/zinc/32/20/98/993322098.db2.gz GQJTZQREUHCFSH-DENIHFKCSA-N 1 1 406.486 3.675 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472391687 993387045 /nfs/dbraw/zinc/38/70/45/993387045.db2.gz XYDBJYDRSAMLIF-NRFANRHFSA-N 1 1 408.502 3.815 20 30 HHEDMO CC[C@H](NC(=O)c1cccc(SCC#N)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000472403219 993396633 /nfs/dbraw/zinc/39/66/33/993396633.db2.gz AVJJHWPPHJJGJA-VXKWHMMOSA-N 1 1 409.555 3.712 20 30 HHEDMO CC[C@H](NC(=O)c1cccc(SCC#N)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000472403219 993396637 /nfs/dbraw/zinc/39/66/37/993396637.db2.gz AVJJHWPPHJJGJA-VXKWHMMOSA-N 1 1 409.555 3.712 20 30 HHEDMO Cc1nc(C[N@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cs1 ZINC000472441825 993445473 /nfs/dbraw/zinc/44/54/73/993445473.db2.gz CVNGJNHYRGIXHP-UHFFFAOYSA-N 1 1 411.531 3.843 20 30 HHEDMO Cc1nc(C[N@@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cs1 ZINC000472441825 993445476 /nfs/dbraw/zinc/44/54/76/993445476.db2.gz CVNGJNHYRGIXHP-UHFFFAOYSA-N 1 1 411.531 3.843 20 30 HHEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000480740788 993607807 /nfs/dbraw/zinc/60/78/07/993607807.db2.gz LYDUHKMJYUOJRR-LPHOPBHVSA-N 1 1 401.919 3.517 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(Br)c1 ZINC000481111608 993948976 /nfs/dbraw/zinc/94/89/76/993948976.db2.gz GCNSSXIYDLZUHI-UHFFFAOYSA-N 1 1 404.352 3.982 20 30 HHEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)ccc1OCCO ZINC000481300473 994115628 /nfs/dbraw/zinc/11/56/28/994115628.db2.gz KSOCYWDARWMPQR-CYBMUJFWSA-N 1 1 405.292 3.551 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000473302665 994160998 /nfs/dbraw/zinc/16/09/98/994160998.db2.gz FCWKNXZWYBPRFO-QFIPXVFZSA-N 1 1 421.541 3.703 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000481579791 994419377 /nfs/dbraw/zinc/41/93/77/994419377.db2.gz IPUZCMIWRNKFFS-NRFANRHFSA-N 1 1 405.514 3.578 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481610798 994465895 /nfs/dbraw/zinc/46/58/95/994465895.db2.gz PRMMTLUABJKKOY-OAHLLOKOSA-N 1 1 415.896 3.747 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481684439 994544681 /nfs/dbraw/zinc/54/46/81/994544681.db2.gz FAWUBDPWVCYPHV-KBMIEXCESA-N 1 1 419.525 3.852 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481684439 994544694 /nfs/dbraw/zinc/54/46/94/994544694.db2.gz FAWUBDPWVCYPHV-KBMIEXCESA-N 1 1 419.525 3.852 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481700473 994560879 /nfs/dbraw/zinc/56/08/79/994560879.db2.gz XIJZVLVVUFXCSO-MHECFPHRSA-N 1 1 407.489 3.982 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481700473 994560892 /nfs/dbraw/zinc/56/08/92/994560892.db2.gz XIJZVLVVUFXCSO-MHECFPHRSA-N 1 1 407.489 3.982 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000481738161 994594205 /nfs/dbraw/zinc/59/42/05/994594205.db2.gz FOOWGRJEKZFUNW-IBGZPJMESA-N 1 1 421.589 3.895 20 30 HHEDMO COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000482009502 994914515 /nfs/dbraw/zinc/91/45/15/994914515.db2.gz VOIWSAVLXPUPLF-CJFMBICVSA-N 1 1 410.477 3.603 20 30 HHEDMO COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000482009502 994914530 /nfs/dbraw/zinc/91/45/30/994914530.db2.gz VOIWSAVLXPUPLF-CJFMBICVSA-N 1 1 410.477 3.603 20 30 HHEDMO Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000473971154 994954530 /nfs/dbraw/zinc/95/45/30/994954530.db2.gz MCNMKMPNTIDUAT-JOCHJYFZSA-N 1 1 404.514 3.608 20 30 HHEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000473998791 994987950 /nfs/dbraw/zinc/98/79/50/994987950.db2.gz BHYMTSJPBGQEEO-HXUWFJFHSA-N 1 1 406.385 3.832 20 30 HHEDMO COc1cccc([C@@H]2[C@H](NC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@H+]2C2CC2)c1 ZINC000482096638 995039728 /nfs/dbraw/zinc/03/97/28/995039728.db2.gz BUSRCUWFXDGDQF-DHIUTWEWSA-N 1 1 401.510 3.693 20 30 HHEDMO COc1cccc([C@H]2[C@H](NC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@H+]2C2CC2)c1 ZINC000482097090 995040762 /nfs/dbraw/zinc/04/07/62/995040762.db2.gz BUSRCUWFXDGDQF-PKTZIBPZSA-N 1 1 401.510 3.693 20 30 HHEDMO C=C(C)CN(C)C(=O)CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000482143920 995094987 /nfs/dbraw/zinc/09/49/87/995094987.db2.gz TVJZOAMVYAGDEM-UHFFFAOYSA-N 1 1 417.553 3.715 20 30 HHEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000474262055 995261157 /nfs/dbraw/zinc/26/11/57/995261157.db2.gz DDOGOQSSUJHUFU-INIZCTEOSA-N 1 1 403.452 3.900 20 30 HHEDMO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)s1 ZINC000474535082 995501492 /nfs/dbraw/zinc/50/14/92/995501492.db2.gz IAXKIUBVBJOXDP-UHFFFAOYSA-N 1 1 404.333 3.777 20 30 HHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000482635920 995630219 /nfs/dbraw/zinc/63/02/19/995630219.db2.gz VCGMXGCSEFFJQO-IBGZPJMESA-N 1 1 405.608 3.552 20 30 HHEDMO C=C(C)COCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474805421 995716821 /nfs/dbraw/zinc/71/68/21/995716821.db2.gz TYBVFVCHEUZHTO-HKUYNNGSSA-N 1 1 413.484 3.980 20 30 HHEDMO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000482867937 995804274 /nfs/dbraw/zinc/80/42/74/995804274.db2.gz PMVGXCNUCVQFSU-UHFFFAOYSA-N 1 1 401.514 3.929 20 30 HHEDMO CCN1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H]1c1ncc[nH]1 ZINC000475348971 996083131 /nfs/dbraw/zinc/08/31/31/996083131.db2.gz GSPAKYHRJVFJEZ-HSZRJFAPSA-N 1 1 401.514 3.739 20 30 HHEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000475457522 996152844 /nfs/dbraw/zinc/15/28/44/996152844.db2.gz ICVYIRDTYYGCTP-HXUWFJFHSA-N 1 1 420.513 3.622 20 30 HHEDMO CN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000483477491 996205644 /nfs/dbraw/zinc/20/56/44/996205644.db2.gz REDJIPHRVMCNOF-XZOQPEGZSA-N 1 1 408.590 3.658 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)CC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000475789274 996372331 /nfs/dbraw/zinc/37/23/31/996372331.db2.gz KRPDMARZZSHXTB-CTNGQTDRSA-N 1 1 403.592 3.775 20 30 HHEDMO C[N@@H+](CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)Cc1ccc(F)cc1 ZINC000483797185 996394203 /nfs/dbraw/zinc/39/42/03/996394203.db2.gz FZIFENDBHZGJSB-UHFFFAOYSA-N 1 1 424.520 3.819 20 30 HHEDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000476013402 996541515 /nfs/dbraw/zinc/54/15/15/996541515.db2.gz QRCYIHGJZOWGAM-AWRGLXIESA-N 1 1 407.562 3.739 20 30 HHEDMO COc1cc(C[NH+]2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)cc(OC)c1 ZINC000476140883 996629775 /nfs/dbraw/zinc/62/97/75/996629775.db2.gz GGVWFKFYSOMRFY-UHFFFAOYSA-N 1 1 424.451 3.724 20 30 HHEDMO CN(C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000476157680 996642639 /nfs/dbraw/zinc/64/26/39/996642639.db2.gz NSPCYOGBUWUIDB-QFIPXVFZSA-N 1 1 418.541 3.906 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1cccs1 ZINC000476330182 996760680 /nfs/dbraw/zinc/76/06/80/996760680.db2.gz YHGISAKDJGXJFN-KSSFIOAISA-N 1 1 409.964 3.635 20 30 HHEDMO N#Cc1ccccc1OCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000484823351 997184052 /nfs/dbraw/zinc/18/40/52/997184052.db2.gz UEVUCVXQPPYIJA-OAQYLSRUSA-N 1 1 417.534 3.914 20 30 HHEDMO N#Cc1ccccc1OCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000484823351 997184066 /nfs/dbraw/zinc/18/40/66/997184066.db2.gz UEVUCVXQPPYIJA-OAQYLSRUSA-N 1 1 417.534 3.914 20 30 HHEDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000484994017 997356664 /nfs/dbraw/zinc/35/66/64/997356664.db2.gz JFFVBBWDZKRATE-HRAATJIYSA-N 1 1 403.486 3.511 20 30 HHEDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000485076992 997447172 /nfs/dbraw/zinc/44/71/72/997447172.db2.gz VEVDOYOHVWQNLZ-CABCVRRESA-N 1 1 411.527 3.597 20 30 HHEDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000485076992 997447178 /nfs/dbraw/zinc/44/71/78/997447178.db2.gz VEVDOYOHVWQNLZ-CABCVRRESA-N 1 1 411.527 3.597 20 30 HHEDMO COc1ccccc1-c1csc(C2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000485113167 997495182 /nfs/dbraw/zinc/49/51/82/997495182.db2.gz KZKFLGOCKNOVJT-INIZCTEOSA-N 1 1 412.559 3.759 20 30 HHEDMO N#Cc1cscc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000476955681 997571602 /nfs/dbraw/zinc/57/16/02/997571602.db2.gz VERWHNVJPIZULN-UHFFFAOYSA-N 1 1 404.333 3.777 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOC3(CCCC3)C2)c1C#N ZINC000485231171 997608893 /nfs/dbraw/zinc/60/88/93/997608893.db2.gz AYHMXOUDLJXLNN-UHFFFAOYSA-N 1 1 410.518 3.592 20 30 HHEDMO C[N@H+]1CC[C@H](CNC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477004735 997636764 /nfs/dbraw/zinc/63/67/64/997636764.db2.gz PYVNYWGWKHXWLR-IIBYNOLFSA-N 1 1 400.885 3.572 20 30 HHEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485350152 997771536 /nfs/dbraw/zinc/77/15/36/997771536.db2.gz QHCFKQHTHGZMIW-SMIHKQSGSA-N 1 1 403.526 3.759 20 30 HHEDMO N#Cc1ccsc1N1CC[C@H](N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1=O ZINC000485361484 997785906 /nfs/dbraw/zinc/78/59/06/997785906.db2.gz NORVFVCWLCRXMT-BDTNDASRSA-N 1 1 420.582 3.712 20 30 HHEDMO C=CCSc1ccccc1C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000485474441 997923255 /nfs/dbraw/zinc/92/32/55/997923255.db2.gz CIWAIINZKIWZIA-UHFFFAOYSA-N 1 1 411.571 3.843 20 30 HHEDMO C=CCOc1cccc(C[N@H+](C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000485701462 998165759 /nfs/dbraw/zinc/16/57/59/998165759.db2.gz NLUJSZASLJAMGL-GOSISDBHSA-N 1 1 400.544 3.984 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(Oc4ccc(F)cc4F)CC3)C2=O)cc1 ZINC000485715047 998183893 /nfs/dbraw/zinc/18/38/93/998183893.db2.gz HXAAZFBQUOAIPO-NRFANRHFSA-N 1 1 411.452 3.875 20 30 HHEDMO C=CCOc1ccccc1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000477577837 998295761 /nfs/dbraw/zinc/29/57/61/998295761.db2.gz VBDOURASAKYTDK-JOCHJYFZSA-N 1 1 408.546 3.843 20 30 HHEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000477996431 998705407 /nfs/dbraw/zinc/70/54/07/998705407.db2.gz RVKFEYYIOFYKAU-UHFFFAOYSA-N 1 1 421.545 3.773 20 30 HHEDMO N#Cc1ccc(NC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC000478073621 998749427 /nfs/dbraw/zinc/74/94/27/998749427.db2.gz ZDLJANYYIVRFQC-FQEVSTJZSA-N 1 1 423.948 3.636 20 30 HHEDMO N#Cc1ccc2ncc(C[N@H+]3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)n2c1 ZINC000486436816 998767131 /nfs/dbraw/zinc/76/71/31/998767131.db2.gz UQDLHOSFOPXEIY-NTKDMRAZSA-N 1 1 410.481 3.810 20 30 HHEDMO C[N@H+]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000478369225 998921037 /nfs/dbraw/zinc/92/10/37/998921037.db2.gz JEYNXKPKDAUWOB-RPBOFIJWSA-N 1 1 411.505 3.965 20 30 HHEDMO N#Cc1cccc(OCCC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000486821018 998955392 /nfs/dbraw/zinc/95/53/92/998955392.db2.gz LNRUUIOSEVQGRN-HYBUGGRVSA-N 1 1 415.497 3.826 20 30 HHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486822273 998956338 /nfs/dbraw/zinc/95/63/38/998956338.db2.gz JLKBNIUAKIVFFM-DRMXPCRNSA-N 1 1 408.546 3.903 20 30 HHEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Br)ccc3Cl)C2=O)cc1 ZINC000486893557 998995111 /nfs/dbraw/zinc/99/51/11/998995111.db2.gz DYPBLDCSFFAADI-SFHVURJKSA-N 1 1 418.722 3.865 20 30 HHEDMO C=CCNc1ncc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000478566062 999027760 /nfs/dbraw/zinc/02/77/60/999027760.db2.gz OYEBHYXMXLBWGL-DYVFJYSZSA-N 1 1 408.930 3.956 20 30 HHEDMO C=CCNc1ncc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000478566062 999027766 /nfs/dbraw/zinc/02/77/66/999027766.db2.gz OYEBHYXMXLBWGL-DYVFJYSZSA-N 1 1 408.930 3.956 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1C#N ZINC000487035575 999043654 /nfs/dbraw/zinc/04/36/54/999043654.db2.gz BQKUCUWEXHHGRB-SFHVURJKSA-N 1 1 420.582 3.847 20 30 HHEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487277011 999121825 /nfs/dbraw/zinc/12/18/25/999121825.db2.gz YUBZWVSUQACXNS-KWOQKUFVSA-N 1 1 405.542 3.988 20 30 HHEDMO C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000478779091 999136681 /nfs/dbraw/zinc/13/66/81/999136681.db2.gz PDXIYEQXMOXXRX-LJQANCHMSA-N 1 1 421.541 3.738 20 30 HHEDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479221421 999331627 /nfs/dbraw/zinc/33/16/27/999331627.db2.gz SSIRTZPPKYQSFJ-UHFFFAOYSA-N 1 1 410.499 3.605 20 30 HHEDMO N#CC1(NC(=O)c2cc(-c3ccc(F)cc3)on2)CC[NH+](Cc2ccccc2)CC1 ZINC000479250508 999346864 /nfs/dbraw/zinc/34/68/64/999346864.db2.gz UHHLTJKRJBZNBM-UHFFFAOYSA-N 1 1 404.445 3.769 20 30 HHEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000488068304 999365784 /nfs/dbraw/zinc/36/57/84/999365784.db2.gz LQHPQGFLCYREDW-IBGZPJMESA-N 1 1 419.525 3.870 20 30 HHEDMO C=CCC[C@H](C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000488364117 999458273 /nfs/dbraw/zinc/45/82/73/999458273.db2.gz GXODVOGKIHSCMD-ZEQRLZLVSA-N 1 1 419.569 3.750 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488522533 999517129 /nfs/dbraw/zinc/51/71/29/999517129.db2.gz PBSVVKKELJWAOX-RDPSFJRHSA-N 1 1 420.557 3.627 20 30 HHEDMO C=CCC[C@H](C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000488717619 999586550 /nfs/dbraw/zinc/58/65/50/999586550.db2.gz VECHJHBGYIVBDA-QHCPKHFHSA-N 1 1 405.542 3.692 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCOc3ccc4c(c3)CCC4)CC2)cc1 ZINC000479889869 999637717 /nfs/dbraw/zinc/63/77/17/999637717.db2.gz WNPFKUIDSQRPSM-UHFFFAOYSA-N 1 1 417.553 3.940 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1Cl ZINC000489013429 999671788 /nfs/dbraw/zinc/67/17/88/999671788.db2.gz NERKZWMJKXCSIU-INIZCTEOSA-N 1 1 402.857 3.618 20 30 HHEDMO Cc1ccc2c(ncc(C#N)c2N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1Br ZINC000479979452 999671990 /nfs/dbraw/zinc/67/19/90/999671990.db2.gz AQWFORLSBSRARF-ZIAGYGMSSA-N 1 1 403.324 3.699 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000489074590 999690941 /nfs/dbraw/zinc/69/09/41/999690941.db2.gz PMRZTAHLLUWJSV-VWLOTQADSA-N 1 1 420.557 3.771 20 30 HHEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000489296120 999739594 /nfs/dbraw/zinc/73/95/94/999739594.db2.gz TULBPOLHNZQNHB-KRWDZBQOSA-N 1 1 409.534 3.729 20 30 HHEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000489384775 999755942 /nfs/dbraw/zinc/75/59/42/999755942.db2.gz BBTLPHZZGDCMHW-NRFANRHFSA-N 1 1 419.573 3.955 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000489539526 999787938 /nfs/dbraw/zinc/78/79/38/999787938.db2.gz YPXDENOOMGMVBW-AVRDEDQJSA-N 1 1 406.530 3.635 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](CCO)Cc2ccccc2)c1C#N ZINC000489593534 999799212 /nfs/dbraw/zinc/79/92/12/999799212.db2.gz CEUKDOKRZIPNCX-UHFFFAOYSA-N 1 1 420.488 3.538 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](CCO)Cc2ccccc2)c1C#N ZINC000489593534 999799215 /nfs/dbraw/zinc/79/92/15/999799215.db2.gz CEUKDOKRZIPNCX-UHFFFAOYSA-N 1 1 420.488 3.538 20 30 HHEDMO CN(C(=O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)C1(C#N)CCCCC1 ZINC000490008340 999876755 /nfs/dbraw/zinc/87/67/55/999876755.db2.gz WBOMMJJKJGLVNS-QGZVFWFLSA-N 1 1 400.592 3.886 20 30 HHEDMO CN(C(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)C1(C#N)CCCCC1 ZINC000490008340 999876757 /nfs/dbraw/zinc/87/67/57/999876757.db2.gz WBOMMJJKJGLVNS-QGZVFWFLSA-N 1 1 400.592 3.886 20 30 HHEDMO COc1cc(N[C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)cc(OC)c1 ZINC000490014733 999877816 /nfs/dbraw/zinc/87/78/16/999877816.db2.gz CRHUBRKZARUIJW-GOSISDBHSA-N 1 1 419.485 3.702 20 30 HHEDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)cc(OC)c1 ZINC000490014733 999877818 /nfs/dbraw/zinc/87/78/18/999877818.db2.gz CRHUBRKZARUIJW-GOSISDBHSA-N 1 1 419.485 3.702 20 30 HHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000490030431 999881227 /nfs/dbraw/zinc/88/12/27/999881227.db2.gz LJTMOFAZZNIVCF-LADGPHEKSA-N 1 1 402.542 3.508 20 30 HHEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491081251 1000043399 /nfs/dbraw/zinc/04/33/99/1000043399.db2.gz BOBUKXSKZNWQEX-HXUWFJFHSA-N 1 1 415.545 3.656 20 30 HHEDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)Cc2ccccc21 ZINC000491081141 1000043405 /nfs/dbraw/zinc/04/34/05/1000043405.db2.gz BFFHOJJTYWMRLL-JOCHJYFZSA-N 1 1 400.482 3.621 20 30 HHEDMO CC[N@@H+](CCNc1c(C#N)cnc2ccc(OC(F)F)cc21)CCC(F)(F)F ZINC000491591625 1000087016 /nfs/dbraw/zinc/08/70/16/1000087016.db2.gz MZUFENLNNBYDEW-UHFFFAOYSA-N 1 1 402.367 3.816 20 30 HHEDMO COc1cc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)ccc1OCCO ZINC000492603663 1000134887 /nfs/dbraw/zinc/13/48/87/1000134887.db2.gz BPDFNJNBGIKEFA-CYBMUJFWSA-N 1 1 405.292 3.551 20 30 HHEDMO 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SAYMPRRPEJYGGL-DEOSSOPVSA-N 1 1 404.558 3.767 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C#N ZINC000512537421 1004370109 /nfs/dbraw/zinc/37/01/09/1004370109.db2.gz SEYIGRMRMMRXQY-CBQGHPETSA-N 1 1 419.573 3.520 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000512542671 1004372346 /nfs/dbraw/zinc/37/23/46/1004372346.db2.gz SVCNPYQMZWXSEN-PXNSSMCTSA-N 1 1 411.468 3.718 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000512542671 1004372350 /nfs/dbraw/zinc/37/23/50/1004372350.db2.gz SVCNPYQMZWXSEN-PXNSSMCTSA-N 1 1 411.468 3.718 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1)CCCC2 ZINC000512562346 1004386972 /nfs/dbraw/zinc/38/69/72/1004386972.db2.gz UFWBGZLVTLKWDU-SFHVURJKSA-N 1 1 415.481 3.606 20 30 HHEDMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1F ZINC000512641413 1004453597 /nfs/dbraw/zinc/45/35/97/1004453597.db2.gz GVYQXHUAOPFRCZ-IAGOWNOFSA-N 1 1 415.534 3.969 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000501590549 1004538444 /nfs/dbraw/zinc/53/84/44/1004538444.db2.gz GEBMYSPECRIHMF-WOJBJXKFSA-N 1 1 418.541 3.788 20 30 HHEDMO C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512755291 1004538779 /nfs/dbraw/zinc/53/87/79/1004538779.db2.gz IGJPNRXZANWMIB-CTNGQTDRSA-N 1 1 417.619 3.842 20 30 HHEDMO C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000512800766 1004566000 /nfs/dbraw/zinc/56/60/00/1004566000.db2.gz HKTRKKFODJMTBS-ZWKOTPCHSA-N 1 1 409.505 3.849 20 30 HHEDMO C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812650 1004574546 /nfs/dbraw/zinc/57/45/46/1004574546.db2.gz XILRMCGSBLGBAK-KRWDZBQOSA-N 1 1 407.489 3.908 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510451465 1004575391 /nfs/dbraw/zinc/57/53/91/1004575391.db2.gz ABJGMEHEKPFNGC-GDBMZVCRSA-N 1 1 405.527 3.732 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510451465 1004575397 /nfs/dbraw/zinc/57/53/97/1004575397.db2.gz ABJGMEHEKPFNGC-GDBMZVCRSA-N 1 1 405.527 3.732 20 30 HHEDMO CCOC1CC2(C1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CC[C@H](C)C3)C2 ZINC000512826245 1004584748 /nfs/dbraw/zinc/58/47/48/1004584748.db2.gz CFYPQJAOPXEPKN-KKWNJKKUSA-N 1 1 401.576 3.964 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512839929 1004600995 /nfs/dbraw/zinc/60/09/95/1004600995.db2.gz LDEDPZZNLJNBSG-INIZCTEOSA-N 1 1 420.460 3.508 20 30 HHEDMO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512843533 1004605577 /nfs/dbraw/zinc/60/55/77/1004605577.db2.gz HFEGFEXRGDDNJX-HNNXBMFYSA-N 1 1 415.896 3.899 20 30 HHEDMO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512846249 1004607795 /nfs/dbraw/zinc/60/77/95/1004607795.db2.gz YLHNSDWQSGZADK-SFHVURJKSA-N 1 1 409.505 3.896 20 30 HHEDMO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000501696931 1004614868 /nfs/dbraw/zinc/61/48/68/1004614868.db2.gz KMSXAYCDLJKFNK-OFNKIYASSA-N 1 1 411.590 3.608 20 30 HHEDMO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1OCCCC#N ZINC000510534478 1004665877 /nfs/dbraw/zinc/66/58/77/1004665877.db2.gz QAYYFFWAMGGCOF-UHFFFAOYSA-N 1 1 410.474 3.608 20 30 HHEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000510664841 1004787417 /nfs/dbraw/zinc/78/74/17/1004787417.db2.gz GORHVIPFOWGJFA-KRWDZBQOSA-N 1 1 403.404 3.701 20 30 HHEDMO C[N@H+](Cc1cn2ccccc2c1C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000510664841 1004787424 /nfs/dbraw/zinc/78/74/24/1004787424.db2.gz GORHVIPFOWGJFA-KRWDZBQOSA-N 1 1 403.404 3.701 20 30 HHEDMO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000513087817 1004799093 /nfs/dbraw/zinc/79/90/93/1004799093.db2.gz GOUSNTGDONHTBS-GOSISDBHSA-N 1 1 418.476 3.669 20 30 HHEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000502162962 1004931786 /nfs/dbraw/zinc/93/17/86/1004931786.db2.gz AVNCHMSBVBEZSK-GOSISDBHSA-N 1 1 404.514 3.853 20 30 HHEDMO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502167518 1004934680 /nfs/dbraw/zinc/93/46/80/1004934680.db2.gz CAYZSQSWKKYHHG-QGZVFWFLSA-N 1 1 420.513 3.635 20 30 HHEDMO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502198414 1004953516 /nfs/dbraw/zinc/95/35/16/1004953516.db2.gz UBUGXLACLABGSE-UHFFFAOYSA-N 1 1 404.514 3.971 20 30 HHEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000511082569 1005010653 /nfs/dbraw/zinc/01/06/53/1005010653.db2.gz SNLFUTCWCZABBP-IBGZPJMESA-N 1 1 403.404 3.737 20 30 HHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000511082569 1005010662 /nfs/dbraw/zinc/01/06/62/1005010662.db2.gz SNLFUTCWCZABBP-IBGZPJMESA-N 1 1 403.404 3.737 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000511120817 1005028593 /nfs/dbraw/zinc/02/85/93/1005028593.db2.gz MXGIVRZUGBGIAJ-CVEARBPZSA-N 1 1 411.575 3.829 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000511120817 1005028605 /nfs/dbraw/zinc/02/86/05/1005028605.db2.gz MXGIVRZUGBGIAJ-CVEARBPZSA-N 1 1 411.575 3.829 20 30 HHEDMO CC(C)(C#N)c1ccc(NC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000502398686 1005057124 /nfs/dbraw/zinc/05/71/24/1005057124.db2.gz DSECFGRCTYIYEC-UHFFFAOYSA-N 1 1 419.573 3.817 20 30 HHEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccccc1 ZINC000511204229 1005072580 /nfs/dbraw/zinc/07/25/80/1005072580.db2.gz VCDYJWOTKGDFOV-JOCHJYFZSA-N 1 1 411.521 3.801 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511214914 1005077870 /nfs/dbraw/zinc/07/78/70/1005077870.db2.gz GKYBKDDCGZFFHY-PKOBYXMFSA-N 1 1 400.523 3.945 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502539268 1005109353 /nfs/dbraw/zinc/10/93/53/1005109353.db2.gz GETORMXUYLWXOT-GOSISDBHSA-N 1 1 414.509 3.801 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502539268 1005109362 /nfs/dbraw/zinc/10/93/62/1005109362.db2.gz GETORMXUYLWXOT-GOSISDBHSA-N 1 1 414.509 3.801 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1C#N ZINC000502732733 1005194172 /nfs/dbraw/zinc/19/41/72/1005194172.db2.gz NCDIKTZFEXRVPN-UHFFFAOYSA-N 1 1 415.582 3.561 20 30 HHEDMO CC[NH+]1CCN(CCCCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000502856419 1005245721 /nfs/dbraw/zinc/24/57/21/1005245721.db2.gz CHWVQZDWESNKEH-UHFFFAOYSA-N 1 1 404.558 3.626 20 30 HHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000511704078 1005284462 /nfs/dbraw/zinc/28/44/62/1005284462.db2.gz WTYNZCSGDBKHJD-HSZRJFAPSA-N 1 1 413.525 3.774 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000511740309 1005301322 /nfs/dbraw/zinc/30/13/22/1005301322.db2.gz JGDJDKIVSGHSQW-BVYCBKJFSA-N 1 1 420.532 3.550 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)C2=O)cc1 ZINC000511776441 1005320815 /nfs/dbraw/zinc/32/08/15/1005320815.db2.gz KIJZNSLTZCOMDJ-QPXUXIHVSA-N 1 1 401.510 3.558 20 30 HHEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1 ZINC000503265380 1005380148 /nfs/dbraw/zinc/38/01/48/1005380148.db2.gz ONJYLCZUCQRKHM-NRFANRHFSA-N 1 1 419.525 3.726 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccs1 ZINC000503453839 1005424999 /nfs/dbraw/zinc/42/49/99/1005424999.db2.gz GYJUIVBLTYOMMU-KSSFIOAISA-N 1 1 409.964 3.635 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503465654 1005428812 /nfs/dbraw/zinc/42/88/12/1005428812.db2.gz XLDRWPSKBGUZEQ-IBGZPJMESA-N 1 1 417.962 3.744 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000503765861 1005490866 /nfs/dbraw/zinc/49/08/66/1005490866.db2.gz QXNGPRWCTIPNCQ-QFIPXVFZSA-N 1 1 422.529 3.857 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000514554488 1006033106 /nfs/dbraw/zinc/03/31/06/1006033106.db2.gz CSNKNNRSKWTZFA-INIZCTEOSA-N 1 1 424.932 3.698 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000531209793 1006048840 /nfs/dbraw/zinc/04/88/40/1006048840.db2.gz CPVFMNCDWNRCKG-GOTSBHOMSA-N 1 1 416.525 3.914 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000531209793 1006048850 /nfs/dbraw/zinc/04/88/50/1006048850.db2.gz CPVFMNCDWNRCKG-GOTSBHOMSA-N 1 1 416.525 3.914 20 30 HHEDMO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 ZINC000534101677 1006072865 /nfs/dbraw/zinc/07/28/65/1006072865.db2.gz OZJGQXFVWPNGKI-QGZVFWFLSA-N 1 1 409.555 3.986 20 30 HHEDMO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 ZINC000534101677 1006072882 /nfs/dbraw/zinc/07/28/82/1006072882.db2.gz OZJGQXFVWPNGKI-QGZVFWFLSA-N 1 1 409.555 3.986 20 30 HHEDMO C=CC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000534121739 1006095306 /nfs/dbraw/zinc/09/53/06/1006095306.db2.gz RSADGKFQDSIMFF-OAHLLOKOSA-N 1 1 405.462 3.671 20 30 HHEDMO C=CC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000534121739 1006095320 /nfs/dbraw/zinc/09/53/20/1006095320.db2.gz RSADGKFQDSIMFF-OAHLLOKOSA-N 1 1 405.462 3.671 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC[N@H+]1C ZINC000514805873 1006136590 /nfs/dbraw/zinc/13/65/90/1006136590.db2.gz LANHVHDNUXQMDV-APWZRJJASA-N 1 1 402.970 3.759 20 30 HHEDMO C[C@H](C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000531354457 1006145542 /nfs/dbraw/zinc/14/55/42/1006145542.db2.gz KRAVNUGBPLUBKU-AUUYWEPGSA-N 1 1 403.404 3.713 20 30 HHEDMO 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COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3cccc(OCCCC#N)c3)C2=O)c1 ZINC000539861472 1008146814 /nfs/dbraw/zinc/14/68/14/1008146814.db2.gz SOPQKBCYLKVBPN-QHCPKHFHSA-N 1 1 423.513 3.624 20 30 HHEDMO CC(C)Cn1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C(F)F ZINC000533923312 1008207195 /nfs/dbraw/zinc/20/71/95/1008207195.db2.gz KSZQZORIGSMBQU-UHFFFAOYSA-N 1 1 415.488 3.696 20 30 HHEDMO CC(C)Cn1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C(F)F ZINC000533923312 1008207197 /nfs/dbraw/zinc/20/71/97/1008207197.db2.gz KSZQZORIGSMBQU-UHFFFAOYSA-N 1 1 415.488 3.696 20 30 HHEDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000533974104 1008242728 /nfs/dbraw/zinc/24/27/28/1008242728.db2.gz ODANBKATCWEXDT-KRWDZBQOSA-N 1 1 413.905 3.533 20 30 HHEDMO CC[N@@H+](CCC1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1)CC(C)C ZINC000540198959 1008332777 /nfs/dbraw/zinc/33/27/77/1008332777.db2.gz NDDOUTBHIZMZCI-HXUWFJFHSA-N 1 1 402.608 3.805 20 30 HHEDMO C=CC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)[C@@H](C)c1cccc(-n2cnnn2)c1 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C=CCOc1c(Br)cc(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)cc1OC ZINC000536670259 1011824890 /nfs/dbraw/zinc/82/48/90/1011824890.db2.gz OKVQPRSSVODFPZ-HNNXBMFYSA-N 1 1 424.335 3.798 20 30 HHEDMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1-c1ccccc1 ZINC000536826149 1012055010 /nfs/dbraw/zinc/05/50/10/1012055010.db2.gz KQSGIPGTQSHBAG-UHFFFAOYSA-N 1 1 414.513 3.792 20 30 HHEDMO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1-c1ccccc1 ZINC000536826149 1012055031 /nfs/dbraw/zinc/05/50/31/1012055031.db2.gz KQSGIPGTQSHBAG-UHFFFAOYSA-N 1 1 414.513 3.792 20 30 HHEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)cc1 ZINC000541387376 1012111318 /nfs/dbraw/zinc/11/13/18/1012111318.db2.gz REPKUPGKYNOZET-GDBMZVCRSA-N 1 1 407.333 3.959 20 30 HHEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)cc1 ZINC000541387376 1012111323 /nfs/dbraw/zinc/11/13/23/1012111323.db2.gz REPKUPGKYNOZET-GDBMZVCRSA-N 1 1 407.333 3.959 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)C[NH+]2CC(c3nc4ccccc4s3)C2)c(OC)c1 ZINC000536924817 1012209130 /nfs/dbraw/zinc/20/91/30/1012209130.db2.gz ITNJTSYOBJQLNN-SFHVURJKSA-N 1 1 410.539 3.873 20 30 HHEDMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1[C@H](C)C1CC1 ZINC000541460337 1012221076 /nfs/dbraw/zinc/22/10/76/1012221076.db2.gz PWXAHDDXBGDJFV-GOSISDBHSA-N 1 1 406.534 3.774 20 30 HHEDMO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1[C@H](C)C1CC1 ZINC000541460337 1012221090 /nfs/dbraw/zinc/22/10/90/1012221090.db2.gz PWXAHDDXBGDJFV-GOSISDBHSA-N 1 1 406.534 3.774 20 30 HHEDMO COc1ccc([C@@H](C)[N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000552247972 1012258078 /nfs/dbraw/zinc/25/80/78/1012258078.db2.gz KRYNKXIIYNRCPN-MRXNPFEDSA-N 1 1 404.432 3.875 20 30 HHEDMO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000552247972 1012258090 /nfs/dbraw/zinc/25/80/90/1012258090.db2.gz KRYNKXIIYNRCPN-MRXNPFEDSA-N 1 1 404.432 3.875 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000541495648 1012272258 /nfs/dbraw/zinc/27/22/58/1012272258.db2.gz YNYBBINYSRVPSX-LJQANCHMSA-N 1 1 416.909 3.661 20 30 HHEDMO CC(C)[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)N1CC[NH+](C)CC1 ZINC000552280246 1012294567 /nfs/dbraw/zinc/29/45/67/1012294567.db2.gz ZVZZQELOJVHWAK-QHCPKHFHSA-N 1 1 421.545 3.744 20 30 HHEDMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108448 1012478759 /nfs/dbraw/zinc/47/87/59/1012478759.db2.gz UHBAWZVQZCBOKJ-MSOLQXFVSA-N 1 1 423.536 3.517 20 30 HHEDMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537161558 1012560652 /nfs/dbraw/zinc/56/06/52/1012560652.db2.gz OZXXZFSKDYLORI-QZTJIDSGSA-N 1 1 414.600 3.528 20 30 HHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537161558 1012560669 /nfs/dbraw/zinc/56/06/69/1012560669.db2.gz OZXXZFSKDYLORI-QZTJIDSGSA-N 1 1 414.600 3.528 20 30 HHEDMO CC(C)(C)[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000537165516 1012567321 /nfs/dbraw/zinc/56/73/21/1012567321.db2.gz JBKXJKUGYTWXGQ-FQEVSTJZSA-N 1 1 410.587 3.758 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC3(CCOCC3)[C@H]2C)c1C#N ZINC000541717665 1012568606 /nfs/dbraw/zinc/56/86/06/1012568606.db2.gz CIGZLKBANSCOQD-GOSISDBHSA-N 1 1 424.520 3.934 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000537295822 1012754136 /nfs/dbraw/zinc/75/41/36/1012754136.db2.gz REVDYUHVYJVONX-JOCHJYFZSA-N 1 1 422.960 3.961 20 30 HHEDMO C=CCSCCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000541888063 1012755311 /nfs/dbraw/zinc/75/53/11/1012755311.db2.gz HXEBBCLQZDWRSY-UHFFFAOYSA-N 1 1 401.498 3.888 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(OC4CCCC4)nc3)CC2)cc1 ZINC000541938520 1012799524 /nfs/dbraw/zinc/79/95/24/1012799524.db2.gz FGARKDDFDPKFOW-UHFFFAOYSA-N 1 1 404.514 3.623 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(OC4CCCC4)nc3)CC2)cc1 ZINC000541938520 1012799533 /nfs/dbraw/zinc/79/95/33/1012799533.db2.gz FGARKDDFDPKFOW-UHFFFAOYSA-N 1 1 404.514 3.623 20 30 HHEDMO C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537369567 1012842479 /nfs/dbraw/zinc/84/24/79/1012842479.db2.gz SZQJHOBFHCHGBG-OALUTQOASA-N 1 1 406.452 3.929 20 30 HHEDMO C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542029050 1012925632 /nfs/dbraw/zinc/92/56/32/1012925632.db2.gz YIPZUTCUYGESDP-WBVHZDCISA-N 1 1 410.497 3.658 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](CCOc2cccc(Br)c2)CC1 ZINC000524156347 1012946310 /nfs/dbraw/zinc/94/63/10/1012946310.db2.gz XTMNPELMNBPNEW-UHFFFAOYSA-N 1 1 400.320 3.912 20 30 HHEDMO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000553060679 1013033383 /nfs/dbraw/zinc/03/33/83/1013033383.db2.gz JMTPXVVPHBLSNJ-COPCDDAFSA-N 1 1 420.532 3.693 20 30 HHEDMO COc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@]3(C1)COCCN(c1cccc(C#N)c1)C3)C2 ZINC001168272637 1072076531 /nfs/dbraw/zinc/07/65/31/1072076531.db2.gz ILXOOHFUFKIOBH-AOYPEHQESA-N 1 1 417.553 3.653 20 30 HHEDMO COc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@]3(C1)COCCN(c1cccc(C#N)c1)C3)C2 ZINC001168272639 1072078830 /nfs/dbraw/zinc/07/88/30/1072078830.db2.gz ILXOOHFUFKIOBH-AZGAKELHSA-N 1 1 417.553 3.653 20 30 HHEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 ZINC000729812278 1072127081 /nfs/dbraw/zinc/12/70/81/1072127081.db2.gz QPGVAMCDYWYQPY-AWEZNQCLSA-N 1 1 421.328 3.952 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 ZINC000729812278 1072127082 /nfs/dbraw/zinc/12/70/82/1072127082.db2.gz QPGVAMCDYWYQPY-AWEZNQCLSA-N 1 1 421.328 3.952 20 30 HHEDMO COc1ccc2c(c1)[C@@H]([N@@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1)CCO2 ZINC000536740639 1072195258 /nfs/dbraw/zinc/19/52/58/1072195258.db2.gz FJJDWJPPEIRISI-QFIPXVFZSA-N 1 1 407.514 3.783 20 30 HHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000536750560 1072197376 /nfs/dbraw/zinc/19/73/76/1072197376.db2.gz MTXXDOPIXZEAHJ-ZWKOTPCHSA-N 1 1 412.513 3.513 20 30 HHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000536750560 1072197378 /nfs/dbraw/zinc/19/73/78/1072197378.db2.gz MTXXDOPIXZEAHJ-ZWKOTPCHSA-N 1 1 412.513 3.513 20 30 HHEDMO N#CCc1ccsc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001127076801 1072293397 /nfs/dbraw/zinc/29/33/97/1072293397.db2.gz ZVOTYOUJLHYTSJ-UHFFFAOYSA-N 1 1 418.360 3.971 20 30 HHEDMO N#CCOc1cccc(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000760387904 1072303370 /nfs/dbraw/zinc/30/33/70/1072303370.db2.gz VUOVDWVJSXGXNL-NRFANRHFSA-N 1 1 411.933 3.956 20 30 HHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000760418202 1072341454 /nfs/dbraw/zinc/34/14/54/1072341454.db2.gz IISMSYCMJCGFTL-OXJNMPFZSA-N 1 1 420.550 3.633 20 30 HHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000760418202 1072341470 /nfs/dbraw/zinc/34/14/70/1072341470.db2.gz IISMSYCMJCGFTL-OXJNMPFZSA-N 1 1 420.550 3.633 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC([C@H]3CCOC3)CC2)c1C#N ZINC000612130739 1072424363 /nfs/dbraw/zinc/42/43/63/1072424363.db2.gz BPIVCNZVKVDEDL-QFIPXVFZSA-N 1 1 420.557 3.712 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000586875427 1072498773 /nfs/dbraw/zinc/49/87/73/1072498773.db2.gz QGIKOGCEZZBMHH-XZOQPEGZSA-N 1 1 414.509 3.767 20 30 HHEDMO N#Cc1cccc(OCC[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC001168324730 1072503885 /nfs/dbraw/zinc/50/38/85/1072503885.db2.gz MCCMARWOYVECNT-UHFFFAOYSA-N 1 1 400.320 3.517 20 30 HHEDMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](Nc1cccc[n+]1[O-])c1ccnc2ccc(OC)cc21 ZINC001168381806 1072819206 /nfs/dbraw/zinc/81/92/06/1072819206.db2.gz IAXFJZWDEWUEBJ-NJLIDXMJSA-N 1 1 416.525 3.926 20 30 HHEDMO C=C(C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000555255587 1073303502 /nfs/dbraw/zinc/30/35/02/1073303502.db2.gz MJZLWSBOUBAXNC-UHFFFAOYSA-N 1 1 404.562 3.781 20 30 HHEDMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](Nc1ccc(N)nn1)c1ccnc2ccc(OC)cc21 ZINC001168384586 1073307429 /nfs/dbraw/zinc/30/74/29/1073307429.db2.gz SEVDYXOTJRGBEU-GSZISWOESA-N 1 1 416.529 3.665 20 30 HHEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 ZINC000555296617 1073327876 /nfs/dbraw/zinc/32/78/76/1073327876.db2.gz SYFQQAFZFWPKCM-HIFRSBDPSA-N 1 1 414.859 3.607 20 30 HHEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc4c(cc3Cl)OCCO4)CC2)c1 ZINC000588962646 1073360783 /nfs/dbraw/zinc/36/07/83/1073360783.db2.gz HWPVRHFFTIXJCV-UHFFFAOYSA-N 1 1 411.889 3.834 20 30 HHEDMO CC(=O)NCC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CCSCC1 ZINC000555365472 1073375255 /nfs/dbraw/zinc/37/52/55/1073375255.db2.gz MIIAAIRXTILXSF-UHFFFAOYSA-N 1 1 423.582 3.971 20 30 HHEDMO CCc1nocc1C[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000555659485 1073712453 /nfs/dbraw/zinc/71/24/53/1073712453.db2.gz RDMPKEBGIAHKPT-UHFFFAOYSA-N 1 1 409.490 3.629 20 30 HHEDMO C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000555685438 1073735144 /nfs/dbraw/zinc/73/51/44/1073735144.db2.gz LDWJRQVJONLAQO-KKSFZXQISA-N 1 1 414.912 3.539 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000590978567 1074057456 /nfs/dbraw/zinc/05/74/56/1074057456.db2.gz WBZFBIXZXPEURB-JOCHJYFZSA-N 1 1 424.545 3.797 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000590978567 1074057460 /nfs/dbraw/zinc/05/74/60/1074057460.db2.gz WBZFBIXZXPEURB-JOCHJYFZSA-N 1 1 424.545 3.797 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000760591532 1074094704 /nfs/dbraw/zinc/09/47/04/1074094704.db2.gz UXNBCFIXJHLYGV-NTKDMRAZSA-N 1 1 420.557 3.594 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000760591532 1074094714 /nfs/dbraw/zinc/09/47/14/1074094714.db2.gz UXNBCFIXJHLYGV-NTKDMRAZSA-N 1 1 420.557 3.594 20 30 HHEDMO C=CCN(CC=C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000573407174 1074398807 /nfs/dbraw/zinc/39/88/07/1074398807.db2.gz HHNLDLRWYZZSCA-VCYXJBJXSA-N 1 1 415.965 3.571 20 30 HHEDMO C[C@H]1C[C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000573626731 1074594217 /nfs/dbraw/zinc/59/42/17/1074594217.db2.gz NNPJQFNBOUKWLP-RBBKRZOGSA-N 1 1 417.557 3.701 20 30 HHEDMO COc1ccccc1-n1nccc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000574211352 1075176526 /nfs/dbraw/zinc/17/65/26/1075176526.db2.gz YMLDDALNZOCPTH-UHFFFAOYSA-N 1 1 406.461 3.935 20 30 HHEDMO CSc1nc(Cl)c(C=NO)c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625239 719067273 /nfs/dbraw/zinc/06/72/73/719067273.db2.gz NBRKZSAAPFYFMV-DOTOQJQBSA-N 1 1 417.966 3.761 20 30 HHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164650364 719310975 /nfs/dbraw/zinc/31/09/75/719310975.db2.gz WWUPXACFUFTCKE-UHFFFAOYSA-N 1 1 408.884 3.553 20 30 HHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164648351 719311736 /nfs/dbraw/zinc/31/17/36/719311736.db2.gz ILFIMTWNXCMBBB-UHFFFAOYSA-N 1 1 408.884 3.553 20 30 HHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(Cl)c(C)c1C#N)C2 ZINC001164807004 720087116 /nfs/dbraw/zinc/08/71/16/720087116.db2.gz FBNLZMOMNYOZEP-YWZLYKJASA-N 1 1 409.361 3.753 20 30 HHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(Cl)c3C#N)CC[C@@H]21 ZINC001164839277 720637807 /nfs/dbraw/zinc/63/78/07/720637807.db2.gz NCKQAYVKMUCEMR-MPGHIAIKSA-N 1 1 419.360 3.834 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)[C@H]2C ZINC001164857322 721019644 /nfs/dbraw/zinc/01/96/44/721019644.db2.gz CWVLJIHHBJUEDL-HNNXBMFYSA-N 1 1 419.489 3.633 20 30 HHEDMO Cc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164897847 721513691 /nfs/dbraw/zinc/51/36/91/721513691.db2.gz GNZKIZBDXJVBIU-FUHWJXTLSA-N 1 1 400.885 3.705 20 30 HHEDMO N#Cc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc(Cl)n1 ZINC001164907169 721531937 /nfs/dbraw/zinc/53/19/37/721531937.db2.gz MQBGJNLQGYCREK-AEFFLSMTSA-N 1 1 422.838 3.633 20 30 HHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#C[Si](C)(C)C)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164807702 721589280 /nfs/dbraw/zinc/58/92/80/721589280.db2.gz PRDYQHQWJWNXJZ-AKFKNWHVSA-N 1 1 420.633 3.574 20 30 HHEDMO N#Cc1cc(Cl)cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908344 721717074 /nfs/dbraw/zinc/71/70/74/721717074.db2.gz XEZRJPMBFITUMT-IBGZPJMESA-N 1 1 403.864 3.739 20 30 HHEDMO CC(C)c1ccc(C#N)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164961191 722052940 /nfs/dbraw/zinc/05/29/40/722052940.db2.gz UZNCQILVCSXBNG-UHFFFAOYSA-N 1 1 405.546 3.591 20 30 HHEDMO N#Cc1ccnc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000301634856 971010620 /nfs/dbraw/zinc/01/06/20/971010620.db2.gz KPBKDKNWABKONJ-UHFFFAOYSA-N 1 1 405.380 3.593 20 30 HHEDMO N#Cc1ccnc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000301659247 971017977 /nfs/dbraw/zinc/01/79/77/971017977.db2.gz JFAZRLSWGSYZBV-UHFFFAOYSA-N 1 1 416.279 3.700 20 30 HHEDMO Cc1nnc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c(C#N)c1C ZINC000301646758 971013842 /nfs/dbraw/zinc/01/38/42/971013842.db2.gz DNDORMUWAWELOR-UHFFFAOYSA-N 1 1 400.324 3.804 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(Cc4ccc(F)cc4)s3)CC2)cc1 ZINC000302091517 971174609 /nfs/dbraw/zinc/17/46/09/971174609.db2.gz HDEIPPCVRMKIOT-UHFFFAOYSA-N 1 1 407.518 3.852 20 30 HHEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)c2)CCO1 ZINC000302638948 971268560 /nfs/dbraw/zinc/26/85/60/971268560.db2.gz HWFRVYGJJIOLJJ-INIZCTEOSA-N 1 1 417.469 3.847 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)c2)CCO1 ZINC000302638948 971268562 /nfs/dbraw/zinc/26/85/62/971268562.db2.gz HWFRVYGJJIOLJJ-INIZCTEOSA-N 1 1 417.469 3.847 20 30 HHEDMO N#Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nc2ccc([N+](=O)[O-])cc12 ZINC000302774149 971314010 /nfs/dbraw/zinc/31/40/10/971314010.db2.gz DLBKJIOGJDVBMN-HXUWFJFHSA-N 1 1 417.469 3.718 20 30 HHEDMO N#CC1(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCCCC1 ZINC000303059429 971481884 /nfs/dbraw/zinc/48/18/84/971481884.db2.gz XBDHRHGCYJFITQ-UHFFFAOYSA-N 1 1 402.542 3.899 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000303215708 971564934 /nfs/dbraw/zinc/56/49/34/971564934.db2.gz SZOAPJWQBHVWOZ-UHFFFAOYSA-N 1 1 412.921 3.764 20 30 HHEDMO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000303456494 971759875 /nfs/dbraw/zinc/75/98/75/971759875.db2.gz KTLVAXAVIUXMRD-RTBURBONSA-N 1 1 408.521 3.818 20 30 HHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000303456927 971760476 /nfs/dbraw/zinc/76/04/76/971760476.db2.gz KGASALXOHNQQTJ-UHFFFAOYSA-N 1 1 408.933 3.925 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000303517396 971818274 /nfs/dbraw/zinc/81/82/74/971818274.db2.gz DMJOAVACDXCOJG-XMMPIXPASA-N 1 1 405.542 3.922 20 30 HHEDMO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000303529333 971830065 /nfs/dbraw/zinc/83/00/65/971830065.db2.gz GGNGJYCYQTUHTD-MRXNPFEDSA-N 1 1 415.896 3.853 20 30 HHEDMO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000303529333 971830070 /nfs/dbraw/zinc/83/00/70/971830070.db2.gz GGNGJYCYQTUHTD-MRXNPFEDSA-N 1 1 415.896 3.853 20 30 HHEDMO CC[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000553205436 1013166458 /nfs/dbraw/zinc/16/64/58/1013166458.db2.gz ILQVIDRLHVJHCA-JOCHJYFZSA-N 1 1 409.505 3.978 20 30 HHEDMO CSc1ccc(O[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000303862397 972403868 /nfs/dbraw/zinc/40/38/68/972403868.db2.gz PSTYLXJEKBNIEO-SFHVURJKSA-N 1 1 409.555 3.782 20 30 HHEDMO CSc1ccc(O[C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000303862397 972403871 /nfs/dbraw/zinc/40/38/71/972403871.db2.gz PSTYLXJEKBNIEO-SFHVURJKSA-N 1 1 409.555 3.782 20 30 HHEDMO COc1ccc(NC(=[NH2+])NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1Cl ZINC000303890849 972430683 /nfs/dbraw/zinc/43/06/83/972430683.db2.gz MTMKLKAFEVQDPX-HOTGVXAUSA-N 1 1 416.953 3.885 20 30 HHEDMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000542323284 1013277802 /nfs/dbraw/zinc/27/78/02/1013277802.db2.gz QRNHQFQDEYQLIC-QGZVFWFLSA-N 1 1 407.514 3.807 20 30 HHEDMO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000542323284 1013277812 /nfs/dbraw/zinc/27/78/12/1013277812.db2.gz QRNHQFQDEYQLIC-QGZVFWFLSA-N 1 1 407.514 3.807 20 30 HHEDMO N#Cc1ccc(C[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C2CC2)cc1 ZINC000542318264 1013274916 /nfs/dbraw/zinc/27/49/16/1013274916.db2.gz VQTYJDYITSTXPE-UHFFFAOYSA-N 1 1 403.404 3.738 20 30 HHEDMO N#Cc1ccc(C[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C2CC2)cc1 ZINC000542318264 1013274925 /nfs/dbraw/zinc/27/49/25/1013274925.db2.gz VQTYJDYITSTXPE-UHFFFAOYSA-N 1 1 403.404 3.738 20 30 HHEDMO C=CC[C@@H](C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000553377468 1013312739 /nfs/dbraw/zinc/31/27/39/1013312739.db2.gz GJCPUXLTVBDNNH-JWQCQUIFSA-N 1 1 403.570 3.765 20 30 HHEDMO N#CCSc1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000022837217 963726694 /nfs/dbraw/zinc/72/66/94/963726694.db2.gz MZYGXICPCHWGNS-UHFFFAOYSA-N 1 1 412.534 3.588 20 30 HHEDMO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258175 963789403 /nfs/dbraw/zinc/78/94/03/963789403.db2.gz BMVITBNGBCCQHO-UHFFFAOYSA-N 1 1 400.320 3.647 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c[nH]c(=S)n3-c3ccccc3)CC2)cc1 ZINC000023451162 963828872 /nfs/dbraw/zinc/82/88/72/963828872.db2.gz QXFRETZHHPZIGB-UHFFFAOYSA-N 1 1 417.538 3.755 20 30 HHEDMO Cc1cccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000026759627 964667868 /nfs/dbraw/zinc/66/78/68/964667868.db2.gz DXEUBRROPXVBMG-KRWDZBQOSA-N 1 1 408.571 3.562 20 30 HHEDMO CCCCCNC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000051803084 964708316 /nfs/dbraw/zinc/70/83/16/964708316.db2.gz RZLSCEDRMSGQGA-UHFFFAOYSA-N 1 1 412.578 3.569 20 30 HHEDMO CCCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccc(C#N)cc1 ZINC000051855292 964723551 /nfs/dbraw/zinc/72/35/51/964723551.db2.gz VFDIWZWBBCJRAJ-UHFFFAOYSA-N 1 1 418.585 3.860 20 30 HHEDMO C[N@H+](CC(=O)NCCC#N)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000027359934 964862660 /nfs/dbraw/zinc/86/26/60/964862660.db2.gz OHSHRQJOULUAHF-UHFFFAOYSA-N 1 1 407.905 3.654 20 30 HHEDMO C[N@@H+](CC(=O)NCCC#N)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000027359934 964862668 /nfs/dbraw/zinc/86/26/68/964862668.db2.gz OHSHRQJOULUAHF-UHFFFAOYSA-N 1 1 407.905 3.654 20 30 HHEDMO CCCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000052722269 964965674 /nfs/dbraw/zinc/96/56/74/964965674.db2.gz NKFVHNADBDKQCB-OAHLLOKOSA-N 1 1 404.942 3.557 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)Cc2ccc3c(c2)OCO3)cc1 ZINC000053133158 965069345 /nfs/dbraw/zinc/06/93/45/965069345.db2.gz QSHBDLRYMKEDNL-UHFFFAOYSA-N 1 1 409.486 3.583 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC)Cc2ccc3c(c2)OCO3)cc1 ZINC000053133158 965069359 /nfs/dbraw/zinc/06/93/59/965069359.db2.gz QSHBDLRYMKEDNL-UHFFFAOYSA-N 1 1 409.486 3.583 20 30 HHEDMO CCCCN(C)C(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000053241461 965103352 /nfs/dbraw/zinc/10/33/52/965103352.db2.gz SKSNHXNVBNEHCU-OAHLLOKOSA-N 1 1 404.942 3.509 20 30 HHEDMO C=CCn1c(=S)n(CN2CC[NH+](Cc3cccs3)CC2)nc1-c1ccco1 ZINC000028785240 965182317 /nfs/dbraw/zinc/18/23/17/965182317.db2.gz PSZQTRLYQPJNIC-UHFFFAOYSA-N 1 1 401.561 3.697 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000029850781 965527232 /nfs/dbraw/zinc/52/72/32/965527232.db2.gz IGNATNZINZTNJP-KRWDZBQOSA-N 1 1 422.495 3.554 20 30 HHEDMO C[C@@H]1[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCC12CCOCC2 ZINC000542656566 1013584816 /nfs/dbraw/zinc/58/48/16/1013584816.db2.gz SKHBMSPODIYLKA-HOTGVXAUSA-N 1 1 401.576 3.964 20 30 HHEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000030532208 965720803 /nfs/dbraw/zinc/72/08/03/965720803.db2.gz MGSPKHVYTPHMEK-OAHLLOKOSA-N 1 1 424.303 3.566 20 30 HHEDMO CSc1ccccc1NC(=O)[C@@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172160 965773558 /nfs/dbraw/zinc/77/35/58/965773558.db2.gz IFOGQMVYUDTIBP-GOSISDBHSA-N 1 1 408.571 3.815 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000030972725 965844705 /nfs/dbraw/zinc/84/47/05/965844705.db2.gz UVACCONUDSBQLF-UHFFFAOYSA-N 1 1 401.432 3.854 20 30 HHEDMO CC[N@@H+](CCC1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1)CC(C)C ZINC000538033647 1013605284 /nfs/dbraw/zinc/60/52/84/1013605284.db2.gz UITMVOHLVGHTLM-UHFFFAOYSA-N 1 1 401.551 3.552 20 30 HHEDMO Cc1nc(SCC(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C#N)c(C)c1C ZINC000058883643 965940454 /nfs/dbraw/zinc/94/04/54/965940454.db2.gz TUQNCXPYYGRAPR-ZRGWGRIASA-N 1 1 400.592 3.834 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000059982650 966045994 /nfs/dbraw/zinc/04/59/94/966045994.db2.gz FZUIURVAUIBVPJ-HDICACEKSA-N 1 1 401.551 3.599 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000055870340 966111073 /nfs/dbraw/zinc/11/10/73/966111073.db2.gz UBVQZTAVHJSIPW-IYBDPMFKSA-N 1 1 412.921 3.871 20 30 HHEDMO Cc1nc(SCC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C#N)c(C)c1C ZINC000056168338 966243605 /nfs/dbraw/zinc/24/36/05/966243605.db2.gz KCVYICOZXQMWKF-ICSRJNTNSA-N 1 1 408.571 3.922 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000062156085 966620136 /nfs/dbraw/zinc/62/01/36/966620136.db2.gz LTPNASVJAKWZNM-IBGZPJMESA-N 1 1 423.582 3.857 20 30 HHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000553893236 1013680286 /nfs/dbraw/zinc/68/02/86/1013680286.db2.gz MTFPMFUDIUPXOS-GOSISDBHSA-N 1 1 402.514 3.515 20 30 HHEDMO COc1ccccc1C(C)(C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000063408673 966847477 /nfs/dbraw/zinc/84/74/77/966847477.db2.gz HHMOZVFLGIVWNP-UHFFFAOYSA-N 1 1 420.557 3.762 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000063786824 966956853 /nfs/dbraw/zinc/95/68/53/966956853.db2.gz HSAAYJNNULDTLQ-UHFFFAOYSA-N 1 1 420.557 3.553 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000043635015 967007109 /nfs/dbraw/zinc/00/71/09/967007109.db2.gz WYJFJAIBDJSVQD-UHFFFAOYSA-N 1 1 409.437 3.773 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000043635015 967007116 /nfs/dbraw/zinc/00/71/16/967007116.db2.gz WYJFJAIBDJSVQD-UHFFFAOYSA-N 1 1 409.437 3.773 20 30 HHEDMO CCOCc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046180018 967693576 /nfs/dbraw/zinc/69/35/76/967693576.db2.gz ROUQIQARVGCCHN-UHFFFAOYSA-N 1 1 406.530 3.512 20 30 HHEDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000538212402 1013765405 /nfs/dbraw/zinc/76/54/05/1013765405.db2.gz IJFKWWLDXYTDDR-GOSISDBHSA-N 1 1 423.536 3.519 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000047128600 968061439 /nfs/dbraw/zinc/06/14/39/968061439.db2.gz AUXYCHDGFARHCQ-KDURUIRLSA-N 1 1 406.530 3.509 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000047128600 968061451 /nfs/dbraw/zinc/06/14/51/968061451.db2.gz AUXYCHDGFARHCQ-KDURUIRLSA-N 1 1 406.530 3.509 20 30 HHEDMO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)c(Cl)c1 ZINC000542955830 1013786172 /nfs/dbraw/zinc/78/61/72/1013786172.db2.gz GHKPGSKDAHXDFQ-SFHVURJKSA-N 1 1 420.904 3.793 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000048126084 968443297 /nfs/dbraw/zinc/44/32/97/968443297.db2.gz GDTAMIHTBKXZEM-KRWDZBQOSA-N 1 1 405.502 3.806 20 30 HHEDMO C[N@@H+](CCCNC(=O)c1ccc(COc2ccccc2C#N)o1)Cc1ccccc1 ZINC000048270142 968506672 /nfs/dbraw/zinc/50/66/72/968506672.db2.gz XBKHOOHYFKRSGK-UHFFFAOYSA-N 1 1 403.482 3.982 20 30 HHEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000538262484 1013804219 /nfs/dbraw/zinc/80/42/19/1013804219.db2.gz BILRRJFHGSSXIY-GOTSBHOMSA-N 1 1 424.495 3.511 20 30 HHEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000538262484 1013804224 /nfs/dbraw/zinc/80/42/24/1013804224.db2.gz BILRRJFHGSSXIY-GOTSBHOMSA-N 1 1 424.495 3.511 20 30 HHEDMO N#Cc1cccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000071857981 968874498 /nfs/dbraw/zinc/87/44/98/968874498.db2.gz UCRBANLEPOBAFL-UHFFFAOYSA-N 1 1 411.505 3.871 20 30 HHEDMO O=C(NCC(F)(F)F)C1CC[NH+](Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000554214005 1013857144 /nfs/dbraw/zinc/85/71/44/1013857144.db2.gz HIDOQJSRKJRSNT-UHFFFAOYSA-N 1 1 404.301 3.874 20 30 HHEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000108975834 969442748 /nfs/dbraw/zinc/44/27/48/969442748.db2.gz IIEHFRTYZLQRRA-SFTDATJTSA-N 1 1 412.578 3.567 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000108998790 969446675 /nfs/dbraw/zinc/44/66/75/969446675.db2.gz GHSXWEMLFSDQJU-UHFFFAOYSA-N 1 1 422.460 3.676 20 30 HHEDMO CC(C)[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000109405663 969513266 /nfs/dbraw/zinc/51/32/66/969513266.db2.gz BFPVSMAIZJUUOB-UHFFFAOYSA-N 1 1 401.457 3.729 20 30 HHEDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000112544694 969815951 /nfs/dbraw/zinc/81/59/51/969815951.db2.gz UJAGKARRHXKHTF-HNNXBMFYSA-N 1 1 420.941 3.777 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000115888057 969859039 /nfs/dbraw/zinc/85/90/39/969859039.db2.gz XSVZUZHSODDXBD-UHFFFAOYSA-N 1 1 414.912 3.887 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000116401567 969890987 /nfs/dbraw/zinc/89/09/87/969890987.db2.gz ZYAOTJSGCTVVSS-CQSZACIVSA-N 1 1 412.440 3.514 20 30 HHEDMO CCN(CC)CC(=O)Nc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000554389917 1013930314 /nfs/dbraw/zinc/93/03/14/1013930314.db2.gz VDZCBAOFRKPMKX-UHFFFAOYSA-N 1 1 419.573 3.915 20 30 HHEDMO C=CCc1ccc(OCC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(OC)c1 ZINC000140233610 970070300 /nfs/dbraw/zinc/07/03/00/970070300.db2.gz WGMYGUAWSWSFML-LJQANCHMSA-N 1 1 414.571 3.892 20 30 HHEDMO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)cs2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237265205 970250798 /nfs/dbraw/zinc/25/07/98/970250798.db2.gz XMGNKTITQOVDHL-OAQYLSRUSA-N 1 1 412.536 3.911 20 30 HHEDMO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1Cl ZINC000554605811 1013987654 /nfs/dbraw/zinc/98/76/54/1013987654.db2.gz DVGZXYOIUNXFJX-OAQYLSRUSA-N 1 1 423.944 3.870 20 30 HHEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC)c(OC)c1 ZINC000164385243 970447089 /nfs/dbraw/zinc/44/70/89/970447089.db2.gz YNQWOGJRELMYHL-UHFFFAOYSA-N 1 1 413.543 3.976 20 30 HHEDMO C[C@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000255345129 970584109 /nfs/dbraw/zinc/58/41/09/970584109.db2.gz UFHTYJASRQKOHX-HNNXBMFYSA-N 1 1 421.419 3.920 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000409518132 972972946 /nfs/dbraw/zinc/97/29/46/972972946.db2.gz KPPGCMFPRVSKJG-IRXDYDNUSA-N 1 1 410.331 3.913 20 30 HHEDMO N#Cc1cccc(-n2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)c1 ZINC000409682938 973146543 /nfs/dbraw/zinc/14/65/43/973146543.db2.gz ZEVFONLGYCMTRG-FRIKZZABSA-N 1 1 411.509 3.669 20 30 HHEDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@H+]1Cc1ccccc1 ZINC000409744059 973219933 /nfs/dbraw/zinc/21/99/33/973219933.db2.gz CSZACBXLOZLSDU-DENIHFKCSA-N 1 1 413.525 3.869 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)Nc1ccccc1C#N ZINC000409856492 973325323 /nfs/dbraw/zinc/32/53/23/973325323.db2.gz HTRRTMHGKPSVJK-SJCJKPOMSA-N 1 1 400.276 3.761 20 30 HHEDMO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(=O)(=O)N(CC)CCC#N ZINC000410162537 973654671 /nfs/dbraw/zinc/65/46/71/973654671.db2.gz TWQPIPZDIORQFN-VCSGRIEYSA-N 1 1 412.644 3.610 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000426111176 974234246 /nfs/dbraw/zinc/23/42/46/974234246.db2.gz HUTAKLDZBNRQDY-OFNKIYASSA-N 1 1 409.530 3.646 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000426176450 974287026 /nfs/dbraw/zinc/28/70/26/974287026.db2.gz MWHLXKCODAOJNV-CABCVRRESA-N 1 1 417.575 3.737 20 30 HHEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000426556979 974526360 /nfs/dbraw/zinc/52/63/60/974526360.db2.gz DCMSEOAZAMIHEF-FQEVSTJZSA-N 1 1 405.542 3.822 20 30 HHEDMO C=C(C)COc1cc(C[NH2+]C2CCN(c3cc(C(=O)[O-])cc[nH+]3)CC2)ccc1OC ZINC000426674968 974594523 /nfs/dbraw/zinc/59/45/23/974594523.db2.gz OAQDPVLIGRRQBS-UHFFFAOYSA-N 1 1 411.502 3.502 20 30 HHEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000426812796 974679343 /nfs/dbraw/zinc/67/93/43/974679343.db2.gz ZZPQHAGNNPLTQY-GOSISDBHSA-N 1 1 413.543 3.560 20 30 HHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000427017495 974828986 /nfs/dbraw/zinc/82/89/86/974828986.db2.gz WCJURSSDJCWJHL-JOCHJYFZSA-N 1 1 408.977 3.621 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000428198856 975524087 /nfs/dbraw/zinc/52/40/87/975524087.db2.gz DFPYJVPJTYCJKE-IBGZPJMESA-N 1 1 418.522 3.783 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000428198856 975524096 /nfs/dbraw/zinc/52/40/96/975524096.db2.gz DFPYJVPJTYCJKE-IBGZPJMESA-N 1 1 418.522 3.783 20 30 HHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000428484577 975784821 /nfs/dbraw/zinc/78/48/21/975784821.db2.gz PERNDONMXDYOIO-GOSISDBHSA-N 1 1 417.431 3.638 20 30 HHEDMO C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000428709542 976000255 /nfs/dbraw/zinc/00/02/55/976000255.db2.gz MHKLUHCNPMGFDH-IBGZPJMESA-N 1 1 401.514 3.714 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428995652 976275986 /nfs/dbraw/zinc/27/59/86/976275986.db2.gz CTOSQEVECSNMJL-VIPLHTEESA-N 1 1 414.619 3.878 20 30 HHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000429057053 976344026 /nfs/dbraw/zinc/34/40/26/976344026.db2.gz VZHQYLLCQNQHRN-INIZCTEOSA-N 1 1 410.909 3.894 20 30 HHEDMO C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@H+](C2CCC2)C1 ZINC000429380537 976652573 /nfs/dbraw/zinc/65/25/73/976652573.db2.gz MHTICTLENLTNEH-MRXNPFEDSA-N 1 1 400.592 3.633 20 30 HHEDMO CC(C)Oc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000429619885 976906403 /nfs/dbraw/zinc/90/64/03/976906403.db2.gz IQHBXAAICBIFDU-JOCHJYFZSA-N 1 1 422.529 3.758 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)nc1 ZINC000430167865 977363245 /nfs/dbraw/zinc/36/32/45/977363245.db2.gz NBONYECDLDBTQU-IBGZPJMESA-N 1 1 424.302 3.555 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)C2)nc1 ZINC000430187184 977378830 /nfs/dbraw/zinc/37/88/30/977378830.db2.gz PWUKXWCWVIZRNW-VQTJNVASSA-N 1 1 413.905 3.818 20 30 HHEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)C2)nc1 ZINC000430187184 977378842 /nfs/dbraw/zinc/37/88/42/977378842.db2.gz PWUKXWCWVIZRNW-VQTJNVASSA-N 1 1 413.905 3.818 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000430348450 977493739 /nfs/dbraw/zinc/49/37/39/977493739.db2.gz SELFLVVTIWXOAV-OAQYLSRUSA-N 1 1 418.541 3.535 20 30 HHEDMO CN(C(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1)c1ccccc1 ZINC000430357235 977499738 /nfs/dbraw/zinc/49/97/38/977499738.db2.gz VYNHPJACVNHOCW-SFHVURJKSA-N 1 1 424.932 3.572 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000431493296 978329881 /nfs/dbraw/zinc/32/98/81/978329881.db2.gz IBVXPORDBRVKKJ-UHFFFAOYSA-N 1 1 417.431 3.847 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000431493296 978329886 /nfs/dbraw/zinc/32/98/86/978329886.db2.gz IBVXPORDBRVKKJ-UHFFFAOYSA-N 1 1 417.431 3.847 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000432588418 978902412 /nfs/dbraw/zinc/90/24/12/978902412.db2.gz PAEJVWVQCQXGJW-UHFFFAOYSA-N 1 1 422.504 3.541 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000432588418 978902416 /nfs/dbraw/zinc/90/24/16/978902416.db2.gz PAEJVWVQCQXGJW-UHFFFAOYSA-N 1 1 422.504 3.541 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@H](O)Cc2ccccc2)c1C#N ZINC000433061405 979054974 /nfs/dbraw/zinc/05/49/74/979054974.db2.gz OZDGCCFXGASAOF-JOCHJYFZSA-N 1 1 422.573 3.956 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1C#N ZINC000433061405 979054982 /nfs/dbraw/zinc/05/49/82/979054982.db2.gz OZDGCCFXGASAOF-JOCHJYFZSA-N 1 1 422.573 3.956 20 30 HHEDMO C[C@H](c1cccc(NCc2cn(CCC#N)nc2-c2ccncc2)c1)[NH+]1CCOCC1 ZINC000433343355 979250944 /nfs/dbraw/zinc/25/09/44/979250944.db2.gz ZCSVYPLEFZBEKY-LJQANCHMSA-N 1 1 416.529 3.864 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3c4c(ccc3Cl)OCC4)CC2)cc1 ZINC000433493838 979335835 /nfs/dbraw/zinc/33/58/35/979335835.db2.gz NDKVNRNVZWVADQ-UHFFFAOYSA-N 1 1 410.905 3.886 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3c4c(ccc3Cl)OCC4)CC2)cc1 ZINC000433493838 979335847 /nfs/dbraw/zinc/33/58/47/979335847.db2.gz NDKVNRNVZWVADQ-UHFFFAOYSA-N 1 1 410.905 3.886 20 30 HHEDMO COC(=O)[C@@H](Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000434869244 980458287 /nfs/dbraw/zinc/45/82/87/980458287.db2.gz MLVDXVONKRMCOE-QHCPKHFHSA-N 1 1 420.513 3.617 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434870452 980459118 /nfs/dbraw/zinc/45/91/18/980459118.db2.gz QPQGBCZTUOFMDY-LAUBAEHRSA-N 1 1 408.571 3.889 20 30 HHEDMO C[N@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)Cc1cc(C#N)ccc1F ZINC000434984250 980549300 /nfs/dbraw/zinc/54/93/00/980549300.db2.gz ZUQJSBQXXAQORW-UHFFFAOYSA-N 1 1 417.912 3.694 20 30 HHEDMO C[N@@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)Cc1cc(C#N)ccc1F ZINC000434984250 980549308 /nfs/dbraw/zinc/54/93/08/980549308.db2.gz ZUQJSBQXXAQORW-UHFFFAOYSA-N 1 1 417.912 3.694 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000435127706 980659029 /nfs/dbraw/zinc/65/90/29/980659029.db2.gz YBIPCVQCKUVDPF-VGSWGCGISA-N 1 1 405.477 3.960 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000435127706 980659032 /nfs/dbraw/zinc/65/90/32/980659032.db2.gz YBIPCVQCKUVDPF-VGSWGCGISA-N 1 1 405.477 3.960 20 30 HHEDMO CCOC(=O)[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)Cc2ccccc21 ZINC000435138270 980669691 /nfs/dbraw/zinc/66/96/91/980669691.db2.gz RALNAVMRHBALCE-JOCHJYFZSA-N 1 1 415.497 3.521 20 30 HHEDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)Cc2ccccc21 ZINC000435138270 980669693 /nfs/dbraw/zinc/66/96/93/980669693.db2.gz RALNAVMRHBALCE-JOCHJYFZSA-N 1 1 415.497 3.521 20 30 HHEDMO C=CCC[C@@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000435140542 980672183 /nfs/dbraw/zinc/67/21/83/980672183.db2.gz ITUUPTVJSUXYIG-YADHBBJMSA-N 1 1 406.530 3.965 20 30 HHEDMO C=CCC[C@@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000435140542 980672188 /nfs/dbraw/zinc/67/21/88/980672188.db2.gz ITUUPTVJSUXYIG-YADHBBJMSA-N 1 1 406.530 3.965 20 30 HHEDMO Cc1cc(NC(=O)COc2ccccc2C#N)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435265205 980749132 /nfs/dbraw/zinc/74/91/32/980749132.db2.gz FGCVLEUXTFCRLF-OAQYLSRUSA-N 1 1 415.497 3.528 20 30 HHEDMO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435370224 980819785 /nfs/dbraw/zinc/81/97/85/980819785.db2.gz HZARUFNQRAYRKG-WIYYLYMNSA-N 1 1 415.497 3.608 20 30 HHEDMO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435443780 980866050 /nfs/dbraw/zinc/86/60/50/980866050.db2.gz QAPKVMJDDIBFEC-SFHVURJKSA-N 1 1 403.573 3.685 20 30 HHEDMO CCCN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435443780 980866055 /nfs/dbraw/zinc/86/60/55/980866055.db2.gz QAPKVMJDDIBFEC-SFHVURJKSA-N 1 1 403.573 3.685 20 30 HHEDMO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435443779 980866152 /nfs/dbraw/zinc/86/61/52/980866152.db2.gz QAPKVMJDDIBFEC-GOSISDBHSA-N 1 1 403.573 3.685 20 30 HHEDMO CCCN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435443779 980866155 /nfs/dbraw/zinc/86/61/55/980866155.db2.gz QAPKVMJDDIBFEC-GOSISDBHSA-N 1 1 403.573 3.685 20 30 HHEDMO CC(C)Oc1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1C#N ZINC000435546616 980933913 /nfs/dbraw/zinc/93/39/13/980933913.db2.gz VDKGISIJNBNRBV-SFHVURJKSA-N 1 1 422.529 3.888 20 30 HHEDMO CC(C)Oc1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1C#N ZINC000435546616 980933919 /nfs/dbraw/zinc/93/39/19/980933919.db2.gz VDKGISIJNBNRBV-SFHVURJKSA-N 1 1 422.529 3.888 20 30 HHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 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DSWIJBAOPOVSAL-AZUAARDMSA-N 1 1 410.566 3.694 20 30 HHEDMO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460800378 982552514 /nfs/dbraw/zinc/55/25/14/982552514.db2.gz DJWQJRSJMGQJAW-DHLKQENFSA-N 1 1 421.589 3.851 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000438051294 982552933 /nfs/dbraw/zinc/55/29/33/982552933.db2.gz GKUYMHLAOHAMGJ-QRQLOZEOSA-N 1 1 411.468 3.560 20 30 HHEDMO N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000438156716 982620531 /nfs/dbraw/zinc/62/05/31/982620531.db2.gz PAJNOHWOYCERBG-NRFANRHFSA-N 1 1 410.562 3.908 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460924915 982663033 /nfs/dbraw/zinc/66/30/33/982663033.db2.gz HHIZBNUGOWSNIG-UHFFFAOYSA-N 1 1 413.566 3.849 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460945354 982681471 /nfs/dbraw/zinc/68/14/71/982681471.db2.gz AFSBMLGHPZDJDJ-IEBWSBKVSA-N 1 1 413.566 3.847 20 30 HHEDMO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO1 ZINC000461144751 982849778 /nfs/dbraw/zinc/84/97/78/982849778.db2.gz FIEJRBGZMPAIHB-KNQAVFIVSA-N 1 1 422.577 3.555 20 30 HHEDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000438643196 982961637 /nfs/dbraw/zinc/96/16/37/982961637.db2.gz DPTDKUUFOONMKJ-GASCZTMLSA-N 1 1 424.467 3.930 20 30 HHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)o2)cc1 ZINC000438776918 983064875 /nfs/dbraw/zinc/06/48/75/983064875.db2.gz AQJPBJAVEOFACT-MRXNPFEDSA-N 1 1 422.876 3.507 20 30 HHEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)o2)cc1 ZINC000438776918 983064884 /nfs/dbraw/zinc/06/48/84/983064884.db2.gz AQJPBJAVEOFACT-MRXNPFEDSA-N 1 1 422.876 3.507 20 30 HHEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438854458 983120606 /nfs/dbraw/zinc/12/06/06/983120606.db2.gz WRQPONHOOLAPIS-NZQKXSOJSA-N 1 1 405.546 3.541 20 30 HHEDMO 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N#Cc1cccc(-c2nnc(C[NH+]3CCC(C(=O)Nc4ccc(F)cc4)CC3)o2)c1 ZINC000439874785 983565052 /nfs/dbraw/zinc/56/50/52/983565052.db2.gz CBSPNGSJQDBRJK-UHFFFAOYSA-N 1 1 405.433 3.598 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000440064768 983630247 /nfs/dbraw/zinc/63/02/47/983630247.db2.gz SXGPEAOPLOQCKG-APWZRJJASA-N 1 1 424.932 3.662 20 30 HHEDMO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440515723 983782638 /nfs/dbraw/zinc/78/26/38/983782638.db2.gz FSSWJFZXOKDWFI-AREMUKBSSA-N 1 1 411.505 3.592 20 30 HHEDMO CCC[C@@H]1CN(CCOc2cccc(C#N)c2)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000440571046 983799502 /nfs/dbraw/zinc/79/95/02/983799502.db2.gz KXVMAPAMKMNIGG-HSZRJFAPSA-N 1 1 418.541 3.674 20 30 HHEDMO CCC[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCN1CCOc1cccc(C#N)c1 ZINC000440571046 983799507 /nfs/dbraw/zinc/79/95/07/983799507.db2.gz KXVMAPAMKMNIGG-HSZRJFAPSA-N 1 1 418.541 3.674 20 30 HHEDMO CCC[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCN1CCOc1cccc(C#N)c1 ZINC000440571046 983799511 /nfs/dbraw/zinc/79/95/11/983799511.db2.gz KXVMAPAMKMNIGG-HSZRJFAPSA-N 1 1 418.541 3.674 20 30 HHEDMO C[C@@H]1C[N@H+](C2CCN(c3c(C#N)cnc4c(Br)cccc43)CC2)CCO1 ZINC000440635929 983831952 /nfs/dbraw/zinc/83/19/52/983831952.db2.gz DYBIUQRHGWXSAI-CQSZACIVSA-N 1 1 415.335 3.558 20 30 HHEDMO COc1cc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)ccc1C#N ZINC000440806300 983914656 /nfs/dbraw/zinc/91/46/56/983914656.db2.gz KVBROLGWEHPTLN-LBPRGKRZSA-N 1 1 403.276 3.951 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c(OC)c1 ZINC000441446778 984256479 /nfs/dbraw/zinc/25/64/79/984256479.db2.gz YWJMVUYBPKTMGG-PIBDYAPNSA-N 1 1 411.542 3.934 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](c3ccccc3C)OC[C@@H]2C)c(OC)c1 ZINC000441446778 984256482 /nfs/dbraw/zinc/25/64/82/984256482.db2.gz YWJMVUYBPKTMGG-PIBDYAPNSA-N 1 1 411.542 3.934 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cc1 ZINC000441674165 984388299 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Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1C#N ZINC000463451767 986432453 /nfs/dbraw/zinc/43/24/53/986432453.db2.gz OJXRWQRJLTXABW-VWLOTQADSA-N 1 1 420.557 3.666 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1C#N ZINC000463451767 986432458 /nfs/dbraw/zinc/43/24/58/986432458.db2.gz OJXRWQRJLTXABW-VWLOTQADSA-N 1 1 420.557 3.666 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)ccc1Cl ZINC000463456425 986436950 /nfs/dbraw/zinc/43/69/50/986436950.db2.gz RDUJANOGCKFNPT-QHCPKHFHSA-N 1 1 411.933 3.531 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)ccc1Cl ZINC000463456425 986436956 /nfs/dbraw/zinc/43/69/56/986436956.db2.gz RDUJANOGCKFNPT-QHCPKHFHSA-N 1 1 411.933 3.531 20 30 HHEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 ZINC000444287066 986475299 /nfs/dbraw/zinc/47/52/99/986475299.db2.gz CWAIQXJKIWLRRA-UHFFFAOYSA-N 1 1 403.486 3.697 20 30 HHEDMO C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@H+]1CC(C)(C)O ZINC000444552426 986743880 /nfs/dbraw/zinc/74/38/80/986743880.db2.gz PCTMYDLGYNKBOS-KRWDZBQOSA-N 1 1 409.555 3.627 20 30 HHEDMO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000444675066 986858080 /nfs/dbraw/zinc/85/80/80/986858080.db2.gz QPBOMEQHFOUQKH-JYFHCDHNSA-N 1 1 416.613 3.844 20 30 HHEDMO C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000444675066 986858089 /nfs/dbraw/zinc/85/80/89/986858089.db2.gz QPBOMEQHFOUQKH-JYFHCDHNSA-N 1 1 416.613 3.844 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@H](C)C1 ZINC000469138452 986858597 /nfs/dbraw/zinc/85/85/97/986858597.db2.gz WNGPHKJAHZGBCI-DENIHFKCSA-N 1 1 412.578 3.818 20 30 HHEDMO C[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000444688533 986866812 /nfs/dbraw/zinc/86/68/12/986866812.db2.gz ZOIGLELKYYFIGP-QHCPKHFHSA-N 1 1 416.613 3.987 20 30 HHEDMO C[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@H+]1C1CCN(C)CC1 ZINC000444688533 986866825 /nfs/dbraw/zinc/86/68/25/986866825.db2.gz ZOIGLELKYYFIGP-QHCPKHFHSA-N 1 1 416.613 3.987 20 30 HHEDMO Cc1nn(C)c(N2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)c1C#N ZINC000444692598 986869063 /nfs/dbraw/zinc/86/90/63/986869063.db2.gz FMWVMZDCBMNFFM-UHFFFAOYSA-N 1 1 424.552 3.622 20 30 HHEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469161183 986885321 /nfs/dbraw/zinc/88/53/21/986885321.db2.gz ZQDPKLADTIOSQP-OAQYLSRUSA-N 1 1 415.497 3.735 20 30 HHEDMO C=CC[C@H]1[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCCC1(C)C ZINC000444778650 986937109 /nfs/dbraw/zinc/93/71/09/986937109.db2.gz WYWRRKHZIVUGNK-QGZVFWFLSA-N 1 1 422.367 3.571 20 30 HHEDMO C[C@@H]1C[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000469231676 986952226 /nfs/dbraw/zinc/95/22/26/986952226.db2.gz JTKQXVSTYMOXAO-DYESRHJHSA-N 1 1 400.482 3.996 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444825261 986980832 /nfs/dbraw/zinc/98/08/32/986980832.db2.gz JMPDELMJJFJZRN-SFHVURJKSA-N 1 1 422.529 3.968 20 30 HHEDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1 ZINC000469340416 987047874 /nfs/dbraw/zinc/04/78/74/987047874.db2.gz NUMQZPMFPMJZAC-NRFANRHFSA-N 1 1 418.497 3.653 20 30 HHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000469437417 987124017 /nfs/dbraw/zinc/12/40/17/987124017.db2.gz YCGYCFRIHXSYEZ-RPWUZVMVSA-N 1 1 420.557 3.798 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000469584936 987250796 /nfs/dbraw/zinc/25/07/96/987250796.db2.gz MEVOEFXHMBBZQA-KRWDZBQOSA-N 1 1 411.525 3.811 20 30 HHEDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2Sc2ccccc2C#N)CCCO1 ZINC000470097604 987998826 /nfs/dbraw/zinc/99/88/26/987998826.db2.gz PIRDOSIAIFTNEP-GOSISDBHSA-N 1 1 409.555 3.940 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000470233595 988168167 /nfs/dbraw/zinc/16/81/67/988168167.db2.gz KWZBGOIAQYMJBM-NRFANRHFSA-N 1 1 419.573 3.885 20 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ZINC000464576490 988752311 /nfs/dbraw/zinc/75/23/11/988752311.db2.gz LHNKFXCYJHWENM-UHFFFAOYSA-N 1 1 406.596 3.559 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+](CCCOc2ccccc2)C2CCOCC2)cc1 ZINC000464583437 988762599 /nfs/dbraw/zinc/76/25/99/988762599.db2.gz CQXCGQKHYKRESL-UHFFFAOYSA-N 1 1 407.514 3.837 20 30 HHEDMO Cc1oc(NC(=O)C[N@@H+](CCCOc2ccccc2)C2CCOCC2)c(C#N)c1C ZINC000464588908 988768311 /nfs/dbraw/zinc/76/83/11/988768311.db2.gz UGKBQCZSXCPSOL-UHFFFAOYSA-N 1 1 411.502 3.657 20 30 HHEDMO N#Cc1ncn(-c2ccccc2NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000464641058 988818475 /nfs/dbraw/zinc/81/84/75/988818475.db2.gz AQOCVKXELSNEQP-UHFFFAOYSA-N 1 1 422.492 3.780 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470831991 988905616 /nfs/dbraw/zinc/90/56/16/988905616.db2.gz PDKHSOLXBPHVFK-CYFREDJKSA-N 1 1 400.526 3.931 20 30 HHEDMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000464733061 988953703 /nfs/dbraw/zinc/95/37/03/988953703.db2.gz HZEUUTPSCAQXGG-MRXNPFEDSA-N 1 1 406.452 3.824 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1C#N ZINC000464846638 989097755 /nfs/dbraw/zinc/09/77/55/989097755.db2.gz BESPBGYDBUJCRA-DENIHFKCSA-N 1 1 424.520 3.603 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1C#N ZINC000464851903 989105359 /nfs/dbraw/zinc/10/53/59/989105359.db2.gz MVWSYLYEGSSGIF-UWJYYQICSA-N 1 1 410.493 3.544 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471032871 989105584 /nfs/dbraw/zinc/10/55/84/989105584.db2.gz ZDNPLXSTIBZAGH-AHRSYUTCSA-N 1 1 408.933 3.602 20 30 HHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860788 989116917 /nfs/dbraw/zinc/11/69/17/989116917.db2.gz ZXNBCWKHCNTCKM-IXDFQOIJSA-N 1 1 410.606 3.760 20 30 HHEDMO O=C(C[NH2+]C1(c2nccs2)CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000471042645 989120463 /nfs/dbraw/zinc/12/04/63/989120463.db2.gz VRJQLANRYYYPDH-UHFFFAOYSA-N 1 1 407.461 3.689 20 30 HHEDMO CCC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000471045334 989123554 /nfs/dbraw/zinc/12/35/54/989123554.db2.gz YXMVNKKQZFNQOS-IAGOWNOFSA-N 1 1 402.608 3.737 20 30 HHEDMO C[C@@H]1C[C@H](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000471057275 989139869 /nfs/dbraw/zinc/13/98/69/989139869.db2.gz PKYATSZKGCCQIT-YGOYIFOWSA-N 1 1 400.526 3.657 20 30 HHEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000471111715 989214508 /nfs/dbraw/zinc/21/45/08/989214508.db2.gz CXZMYPHETWYWCD-DEOSSOPVSA-N 1 1 412.537 3.755 20 30 HHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000471146596 989258697 /nfs/dbraw/zinc/25/86/97/989258697.db2.gz CPPQOACJFCOKHR-FQEVSTJZSA-N 1 1 400.885 3.690 20 30 HHEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H](C)c1cccc(O)c1 ZINC000471171720 989298536 /nfs/dbraw/zinc/29/85/36/989298536.db2.gz ALCGQHPPPOUNRE-GOSISDBHSA-N 1 1 412.534 3.740 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H](C)c1cccc(O)c1 ZINC000471171720 989298545 /nfs/dbraw/zinc/29/85/45/989298545.db2.gz ALCGQHPPPOUNRE-GOSISDBHSA-N 1 1 412.534 3.740 20 30 HHEDMO CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000471224180 989367133 /nfs/dbraw/zinc/36/71/33/989367133.db2.gz YALZOUVUMUQYJD-APWZRJJASA-N 1 1 402.608 3.879 20 30 HHEDMO CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000471224180 989367141 /nfs/dbraw/zinc/36/71/41/989367141.db2.gz YALZOUVUMUQYJD-APWZRJJASA-N 1 1 402.608 3.879 20 30 HHEDMO COc1ccccc1[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[NH+](C)C ZINC000465424550 989768682 /nfs/dbraw/zinc/76/86/82/989768682.db2.gz ULHYQGRMZKMTGU-FSSWDIPSSA-N 1 1 406.530 3.779 20 30 HHEDMO Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471573052 989774826 /nfs/dbraw/zinc/77/48/26/989774826.db2.gz JDGLDIUQAFTFLQ-LPHOPBHVSA-N 1 1 404.436 3.728 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000465558220 989923437 /nfs/dbraw/zinc/92/34/37/989923437.db2.gz NPJNMVSHTBXGAV-IBGZPJMESA-N 1 1 406.530 3.668 20 30 HHEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000471747087 989941775 /nfs/dbraw/zinc/94/17/75/989941775.db2.gz GKKKXGGHYCCDBL-RBBKRZOGSA-N 1 1 406.917 3.847 20 30 HHEDMO C=CCc1cc(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000471768943 989959254 /nfs/dbraw/zinc/95/92/54/989959254.db2.gz GMQUZTRYACLOCI-HXUWFJFHSA-N 1 1 423.557 3.754 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000466076099 991249902 /nfs/dbraw/zinc/24/99/02/991249902.db2.gz JCIIVFBSWMPNLD-PXNSSMCTSA-N 1 1 412.559 3.869 20 30 HHEDMO N#CCSCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000466726445 992036790 /nfs/dbraw/zinc/03/67/90/992036790.db2.gz BMFVQSURDOOYOV-QFIPXVFZSA-N 1 1 411.546 3.558 20 30 HHEDMO N#CCSCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000466726445 992036803 /nfs/dbraw/zinc/03/68/03/992036803.db2.gz BMFVQSURDOOYOV-QFIPXVFZSA-N 1 1 411.546 3.558 20 30 HHEDMO N#Cc1cccc(CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000466806294 992115298 /nfs/dbraw/zinc/11/52/98/992115298.db2.gz LGWRCBBYGIUHLX-DNQXCXABSA-N 1 1 402.542 3.797 20 30 HHEDMO Cn1c2ccc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2nc1C(F)F ZINC000466984257 992293756 /nfs/dbraw/zinc/29/37/56/992293756.db2.gz MTCIRSCZWLDBQH-UHFFFAOYSA-N 1 1 423.467 3.731 20 30 HHEDMO Cn1c2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2nc1C(F)F ZINC000466984257 992293762 /nfs/dbraw/zinc/29/37/62/992293762.db2.gz MTCIRSCZWLDBQH-UHFFFAOYSA-N 1 1 423.467 3.731 20 30 HHEDMO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467023727 992331712 /nfs/dbraw/zinc/33/17/12/992331712.db2.gz LTVWNTWKWAZKLH-ZDUSSCGKSA-N 1 1 402.292 3.788 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467046129 992354896 /nfs/dbraw/zinc/35/48/96/992354896.db2.gz MVWUXWCOEMZBKZ-WIYYLYMNSA-N 1 1 407.514 3.505 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000467135853 992452689 /nfs/dbraw/zinc/45/26/89/992452689.db2.gz KWEKVSOPPAPTCJ-QAPCUYQASA-N 1 1 419.497 3.510 20 30 HHEDMO COC[C@H]1CCCC[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000467280621 992603277 /nfs/dbraw/zinc/60/32/77/992603277.db2.gz RITPKLTZLMNGBF-IBGZPJMESA-N 1 1 412.534 3.695 20 30 HHEDMO Cc1nc(SCC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755813 993001050 /nfs/dbraw/zinc/00/10/50/993001050.db2.gz SRCLSCFNAGFJKN-QRWLVFNGSA-N 1 1 408.571 3.750 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOC3(CCCCC3)C2)c1C#N ZINC000472232942 993262069 /nfs/dbraw/zinc/26/20/69/993262069.db2.gz VTGOXWIRCNLKDA-UHFFFAOYSA-N 1 1 424.545 3.982 20 30 HHEDMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(C#N)ccc3OC)CC[N@H+]2C2CC2)c1 ZINC000472310599 993321986 /nfs/dbraw/zinc/32/19/86/993321986.db2.gz GQJTZQREUHCFSH-UGKGYDQZSA-N 1 1 406.486 3.675 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472459640 993461554 /nfs/dbraw/zinc/46/15/54/993461554.db2.gz OIYPONPNOSPWBY-PKOBYXMFSA-N 1 1 400.592 3.683 20 30 HHEDMO C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000472753369 993689233 /nfs/dbraw/zinc/68/92/33/993689233.db2.gz RKDLUOOKTRQFLU-QGZVFWFLSA-N 1 1 400.486 3.551 20 30 HHEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480855791 993728611 /nfs/dbraw/zinc/72/86/11/993728611.db2.gz IVIONZFHAMGODL-FCHUYYIVSA-N 1 1 409.555 3.542 20 30 HHEDMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481029290 993874767 /nfs/dbraw/zinc/87/47/67/993874767.db2.gz WWGVNTCFFCCMDB-UTKZUKDTSA-N 1 1 415.534 3.685 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481050632 993892751 /nfs/dbraw/zinc/89/27/51/993892751.db2.gz BCVRAHZPKBRYMT-KRWDZBQOSA-N 1 1 415.534 3.691 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c(Br)c1 ZINC000481073244 993912029 /nfs/dbraw/zinc/91/20/29/993912029.db2.gz KOYNVRBOHHUGBN-UHFFFAOYSA-N 1 1 414.303 3.877 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c(Br)c1 ZINC000481110868 993947441 /nfs/dbraw/zinc/94/74/41/993947441.db2.gz FIILZDSIQHWQIH-UHFFFAOYSA-N 1 1 404.352 3.982 20 30 HHEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184753 994016453 /nfs/dbraw/zinc/01/64/53/994016453.db2.gz FLNKXXVDEOVSJW-AWRGLXIESA-N 1 1 404.558 3.822 20 30 HHEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184753 994016467 /nfs/dbraw/zinc/01/64/67/994016467.db2.gz FLNKXXVDEOVSJW-AWRGLXIESA-N 1 1 404.558 3.822 20 30 HHEDMO C[C@@H]1[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCN1c1ccccc1 ZINC000473386908 994241812 /nfs/dbraw/zinc/24/18/12/994241812.db2.gz HRNPYRLDJSPODL-YKSBVNFPSA-N 1 1 402.542 3.508 20 30 HHEDMO C[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCN1c1ccccc1 ZINC000473386908 994241824 /nfs/dbraw/zinc/24/18/24/994241824.db2.gz HRNPYRLDJSPODL-YKSBVNFPSA-N 1 1 402.542 3.508 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000473443185 994292563 /nfs/dbraw/zinc/29/25/63/994292563.db2.gz OOJFWFDLLUGNNU-UHFFFAOYSA-N 1 1 423.532 3.759 20 30 HHEDMO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503781 994351319 /nfs/dbraw/zinc/35/13/19/994351319.db2.gz MULMWOPSUVCXTH-CJFMBICVSA-N 1 1 403.526 3.840 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481571911 994408629 /nfs/dbraw/zinc/40/86/29/994408629.db2.gz OVVXPBYDWNHBTF-LHSJRXKWSA-N 1 1 404.457 3.894 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@H]1CCN(c2sccc2C(=O)OC)C1=O)c1ccc(F)c(F)c1 ZINC000481593867 994441154 /nfs/dbraw/zinc/44/11/54/994441154.db2.gz FZLMODJXWDEIAE-DLBZAZTESA-N 1 1 406.454 3.825 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NC[C@H]1COc2ccccc2O1)c1ccc(F)c(F)c1 ZINC000481609255 994462363 /nfs/dbraw/zinc/46/23/63/994462363.db2.gz YCWKOFZWZIYLFT-ZJTDPSCFSA-N 1 1 402.441 3.516 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000481738162 994594000 /nfs/dbraw/zinc/59/40/00/994594000.db2.gz FOOWGRJEKZFUNW-LJQANCHMSA-N 1 1 421.589 3.895 20 30 HHEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481848633 994704378 /nfs/dbraw/zinc/70/43/78/994704378.db2.gz OZEOJTVCEIVDDB-BPUDTRNYSA-N 1 1 403.526 3.839 20 30 HHEDMO C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000473954695 994933516 /nfs/dbraw/zinc/93/35/16/994933516.db2.gz YMRYRRXMHQUYPM-FQEVSTJZSA-N 1 1 409.368 3.759 20 30 HHEDMO C=C(C)[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000473998790 994988191 /nfs/dbraw/zinc/98/81/91/994988191.db2.gz BHYMTSJPBGQEEO-FQEVSTJZSA-N 1 1 406.385 3.832 20 30 HHEDMO C=CCNc1ncc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)s1 ZINC000474038256 995028207 /nfs/dbraw/zinc/02/82/07/995028207.db2.gz RPNNIPMUJCLYRN-QGZVFWFLSA-N 1 1 400.548 3.707 20 30 HHEDMO C=CCOc1ccc(CN(CC(=O)NC2CC[NH+](C(C)C)CC2)C(C)(C)C)cc1 ZINC000474154001 995136811 /nfs/dbraw/zinc/13/68/11/995136811.db2.gz PAMLPAWACKDKIH-UHFFFAOYSA-N 1 1 401.595 3.841 20 30 HHEDMO COc1cccc([C@@H]2[C@@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)CC[N@H+]2C2CC2)c1 ZINC000474156288 995140036 /nfs/dbraw/zinc/14/00/36/995140036.db2.gz DULDPBMZGGLIKC-XZOQPEGZSA-N 1 1 401.510 3.693 20 30 HHEDMO C=CC[N@@H+](Cc1ccnn1-c1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000474274337 995270496 /nfs/dbraw/zinc/27/04/96/995270496.db2.gz FSFGJUSTEDWQLY-KRWDZBQOSA-N 1 1 403.465 3.736 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3COc4ccc(Cl)cc43)CC2)cc1 ZINC000474363443 995343379 /nfs/dbraw/zinc/34/33/79/995343379.db2.gz UVEUTGUNIJKDKJ-HXUWFJFHSA-N 1 1 410.905 3.563 20 30 HHEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482495150 995505628 /nfs/dbraw/zinc/50/56/28/995505628.db2.gz MTBYOFSOTIBMTK-GGAORHGYSA-N 1 1 408.498 3.680 20 30 HHEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482495369 995505762 /nfs/dbraw/zinc/50/57/62/995505762.db2.gz IJXOHDWYAJJCHI-GGAORHGYSA-N 1 1 408.498 3.680 20 30 HHEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482495152 995505800 /nfs/dbraw/zinc/50/58/00/995505800.db2.gz MTBYOFSOTIBMTK-JTHBVZDNSA-N 1 1 408.498 3.680 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C[C@@H](CC#N)c2ccccc2)C[C@H](C)O1 ZINC000474909578 995794789 /nfs/dbraw/zinc/79/47/89/995794789.db2.gz UKOWCYLHHWCWDA-RZUBCFFCSA-N 1 1 405.542 4.000 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C[C@@H](CC#N)c2ccccc2)C[C@H](C)O1 ZINC000474909578 995794791 /nfs/dbraw/zinc/79/47/91/995794791.db2.gz UKOWCYLHHWCWDA-RZUBCFFCSA-N 1 1 405.542 4.000 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000482907229 995836717 /nfs/dbraw/zinc/83/67/17/995836717.db2.gz UDZCZFDWYRMRFJ-IRXDYDNUSA-N 1 1 424.932 3.681 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000482907229 995836721 /nfs/dbraw/zinc/83/67/21/995836721.db2.gz UDZCZFDWYRMRFJ-IRXDYDNUSA-N 1 1 424.932 3.681 20 30 HHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000482978988 995897392 /nfs/dbraw/zinc/89/73/92/995897392.db2.gz HQCCSWYAZHWCNS-WDEREUQCSA-N 1 1 419.348 3.944 20 30 HHEDMO CC[C@@H]1C[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@]2(CCOC2)O1 ZINC000483138340 995997625 /nfs/dbraw/zinc/99/76/25/995997625.db2.gz BKESOKLGMQMJAH-RCZVLFRGSA-N 1 1 422.525 3.916 20 30 HHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@]2(CCOC2)O1 ZINC000483138340 995997629 /nfs/dbraw/zinc/99/76/29/995997629.db2.gz BKESOKLGMQMJAH-RCZVLFRGSA-N 1 1 422.525 3.916 20 30 HHEDMO N#Cc1ccc(OCCNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475221099 996005955 /nfs/dbraw/zinc/00/59/55/996005955.db2.gz TUAPSIFPMRQZBJ-VWLOTQADSA-N 1 1 418.541 3.635 20 30 HHEDMO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000483178596 996020877 /nfs/dbraw/zinc/02/08/77/996020877.db2.gz MSBCXIWFWHEOGE-PTUXOGIPSA-N 1 1 405.542 3.762 20 30 HHEDMO C=C(C)[C@H](NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(F)c(F)c1 ZINC000483287904 996081905 /nfs/dbraw/zinc/08/19/05/996081905.db2.gz DAKPAYOGJAZYCB-SVMVAKDDSA-N 1 1 420.548 3.782 20 30 HHEDMO C=C(C)[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000483303933 996088616 /nfs/dbraw/zinc/08/86/16/996088616.db2.gz HXDCKOFOOWMPSS-OAZVVGOESA-N 1 1 407.505 3.865 20 30 HHEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000475570396 996224214 /nfs/dbraw/zinc/22/42/14/996224214.db2.gz CCWFOQSIDZNPDT-UHFFFAOYSA-N 1 1 422.577 3.662 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000483587278 996268609 /nfs/dbraw/zinc/26/86/09/996268609.db2.gz BZZIHMUSPNGDSH-UNMCSNQZSA-N 1 1 405.546 3.637 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1C#N ZINC000475724895 996325345 /nfs/dbraw/zinc/32/53/45/996325345.db2.gz MGNIUSXVHZWLPB-QHCPKHFHSA-N 1 1 400.567 3.903 20 30 HHEDMO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(OC(F)F)c1 ZINC000476032491 996555906 /nfs/dbraw/zinc/55/59/06/996555906.db2.gz KZNZBIAFYWWKIO-UHFFFAOYSA-N 1 1 415.440 3.516 20 30 HHEDMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(OC(F)F)c1 ZINC000476032491 996555924 /nfs/dbraw/zinc/55/59/24/996555924.db2.gz KZNZBIAFYWWKIO-UHFFFAOYSA-N 1 1 415.440 3.516 20 30 HHEDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)C2)cc(OC)c1 ZINC000476259422 996712136 /nfs/dbraw/zinc/71/21/36/996712136.db2.gz LUNVBKJGSXIHSC-FQEVSTJZSA-N 1 1 407.514 3.509 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)C2)cc(OC)c1 ZINC000476259422 996712147 /nfs/dbraw/zinc/71/21/47/996712147.db2.gz LUNVBKJGSXIHSC-FQEVSTJZSA-N 1 1 407.514 3.509 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476315517 996751775 /nfs/dbraw/zinc/75/17/75/996751775.db2.gz SZXCUCDWBXOBRK-NRFANRHFSA-N 1 1 403.592 3.634 20 30 HHEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1cccs1 ZINC000476330184 996760847 /nfs/dbraw/zinc/76/08/47/996760847.db2.gz YHGISAKDJGXJFN-RDTXWAMCSA-N 1 1 409.964 3.635 20 30 HHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000484720530 997061265 /nfs/dbraw/zinc/06/12/65/997061265.db2.gz UPCVUJFIKLPXNY-UHFFFAOYSA-N 1 1 401.580 3.672 20 30 HHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000484720530 997061274 /nfs/dbraw/zinc/06/12/74/997061274.db2.gz UPCVUJFIKLPXNY-UHFFFAOYSA-N 1 1 401.580 3.672 20 30 HHEDMO N#Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000484823779 997185342 /nfs/dbraw/zinc/18/53/42/997185342.db2.gz VDUCSHPFBGRATQ-QFIPXVFZSA-N 1 1 417.534 3.914 20 30 HHEDMO N#Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000484823779 997185345 /nfs/dbraw/zinc/18/53/45/997185345.db2.gz VDUCSHPFBGRATQ-QFIPXVFZSA-N 1 1 417.534 3.914 20 30 HHEDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000484994019 997356347 /nfs/dbraw/zinc/35/63/47/997356347.db2.gz JFFVBBWDZKRATE-IERDGZPVSA-N 1 1 403.486 3.511 20 30 HHEDMO COc1ccc(NC(=O)CC[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1Cl ZINC000485000244 997363836 /nfs/dbraw/zinc/36/38/36/997363836.db2.gz FVEGXKPTXUPIFS-UHFFFAOYSA-N 1 1 412.921 3.761 20 30 HHEDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[C@H](C)C1 ZINC000476850253 997417389 /nfs/dbraw/zinc/41/73/89/997417389.db2.gz KEGCPRRBMABYOG-HZPDHXFCSA-N 1 1 413.905 3.531 20 30 HHEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[C@H](C)C1 ZINC000476850253 997417396 /nfs/dbraw/zinc/41/73/96/997417396.db2.gz KEGCPRRBMABYOG-HZPDHXFCSA-N 1 1 413.905 3.531 20 30 HHEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)[C@@H](C)C1 ZINC000476865629 997438913 /nfs/dbraw/zinc/43/89/13/997438913.db2.gz ZSNZBTDYBGOOJL-HOTGVXAUSA-N 1 1 413.905 3.531 20 30 HHEDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)[C@@H](C)C1 ZINC000476865629 997438924 /nfs/dbraw/zinc/43/89/24/997438924.db2.gz ZSNZBTDYBGOOJL-HOTGVXAUSA-N 1 1 413.905 3.531 20 30 HHEDMO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485237567 997618855 /nfs/dbraw/zinc/61/88/55/997618855.db2.gz ZWBNPCBZNIDHTM-BPUDTRNYSA-N 1 1 402.542 3.554 20 30 HHEDMO Cc1oc(NC(=O)CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477042926 997677909 /nfs/dbraw/zinc/67/79/09/997677909.db2.gz KSKFPGXEUJMRDZ-DEOSSOPVSA-N 1 1 406.530 3.695 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC000477043948 997679446 /nfs/dbraw/zinc/67/94/46/997679446.db2.gz ODJVVKBQMPUFMD-RUZDIDTESA-N 1 1 402.542 3.875 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC000477043948 997679451 /nfs/dbraw/zinc/67/94/51/997679451.db2.gz ODJVVKBQMPUFMD-RUZDIDTESA-N 1 1 402.542 3.875 20 30 HHEDMO CCCCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000477069644 997718607 /nfs/dbraw/zinc/71/86/07/997718607.db2.gz CNMFBMZAUGVQPP-VQTJNVASSA-N 1 1 409.534 3.598 20 30 HHEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(C)C ZINC000477069644 997718617 /nfs/dbraw/zinc/71/86/17/997718617.db2.gz CNMFBMZAUGVQPP-VQTJNVASSA-N 1 1 409.534 3.598 20 30 HHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477076878 997729186 /nfs/dbraw/zinc/72/91/86/997729186.db2.gz POYMVKJXRIYFRM-PGGUUEOZSA-N 1 1 403.935 3.971 20 30 HHEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000477131852 997786908 /nfs/dbraw/zinc/78/69/08/997786908.db2.gz HMSJUDJVWKJWOS-NRFANRHFSA-N 1 1 422.529 3.564 20 30 HHEDMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000485833885 998300051 /nfs/dbraw/zinc/30/00/51/998300051.db2.gz NRDYVRRSFNNPPH-GOSISDBHSA-N 1 1 413.543 3.560 20 30 HHEDMO C[N@H+](CCN(Cc1ccccc1)S(=O)(=O)CC1(C#N)CCC1)Cc1ccccc1 ZINC000477600822 998318190 /nfs/dbraw/zinc/31/81/90/998318190.db2.gz VEUDXJNZLFLEPV-UHFFFAOYSA-N 1 1 411.571 3.644 20 30 HHEDMO C[N@@H+](CCN(Cc1ccccc1)S(=O)(=O)CC1(C#N)CCC1)Cc1ccccc1 ZINC000477600822 998318204 /nfs/dbraw/zinc/31/82/04/998318204.db2.gz VEUDXJNZLFLEPV-UHFFFAOYSA-N 1 1 411.571 3.644 20 30 HHEDMO CCN(C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1)CC(F)(F)F ZINC000477713450 998435211 /nfs/dbraw/zinc/43/52/11/998435211.db2.gz DPEGGOFGOHQRHK-AGYKMIKPSA-N 1 1 416.532 3.512 20 30 HHEDMO C=C(C)[C@@H](NC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(F)c(F)c1 ZINC000477745978 998488795 /nfs/dbraw/zinc/48/87/95/998488795.db2.gz SGEWWIWSHJQWJS-OAQYLSRUSA-N 1 1 415.488 3.957 20 30 HHEDMO C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCN1CCCOc1cccc(C#N)c1 ZINC000477759217 998506320 /nfs/dbraw/zinc/50/63/20/998506320.db2.gz JUTNDQBFVKGMNH-NRFANRHFSA-N 1 1 418.541 3.674 20 30 HHEDMO C[C@H]1CN(CCCOc2cccc(C#N)c2)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000477759217 998506329 /nfs/dbraw/zinc/50/63/29/998506329.db2.gz JUTNDQBFVKGMNH-NRFANRHFSA-N 1 1 418.541 3.674 20 30 HHEDMO C[C@H]1CN(CCCOc2cccc(C#N)c2)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477759217 998506332 /nfs/dbraw/zinc/50/63/32/998506332.db2.gz JUTNDQBFVKGMNH-NRFANRHFSA-N 1 1 418.541 3.674 20 30 HHEDMO C=CCSc1ccccc1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000486210062 998649026 /nfs/dbraw/zinc/64/90/26/998649026.db2.gz ABJBERMTLPFYCX-HXUWFJFHSA-N 1 1 423.582 3.592 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486828253 998959799 /nfs/dbraw/zinc/95/97/99/998959799.db2.gz UARQLPWPEHWMPU-DNRQZRRGSA-N 1 1 423.557 3.544 20 30 HHEDMO N#Cc1ccc(SCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000486985520 999027389 /nfs/dbraw/zinc/02/73/89/999027389.db2.gz OKHCSVFJGORSGA-UHFFFAOYSA-N 1 1 401.482 3.709 20 30 HHEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)c1 ZINC000487416268 999168442 /nfs/dbraw/zinc/16/84/42/999168442.db2.gz QKSYYVVGIBMWPM-UHFFFAOYSA-N 1 1 423.423 3.737 20 30 HHEDMO C=CCN(CCOC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000478854466 999177230 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/nfs/dbraw/zinc/38/33/72/999383372.db2.gz GRRKCJKAEZXYRR-OALUTQOASA-N 1 1 408.546 3.510 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000488305538 999432062 /nfs/dbraw/zinc/43/20/62/999432062.db2.gz FEEKTBHFCZQTOE-SJORKVTESA-N 1 1 402.564 3.655 20 30 HHEDMO C[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488613253 999545722 /nfs/dbraw/zinc/54/57/22/999545722.db2.gz PQWRGVKTVXSFPQ-IGKWTDBASA-N 1 1 418.541 3.552 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCOc4c(F)cccc43)CC2)cc1 ZINC000488616769 999547070 /nfs/dbraw/zinc/54/70/70/999547070.db2.gz WKAHUMMCWMZEBG-JOCHJYFZSA-N 1 1 422.504 3.829 20 30 HHEDMO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488791188 999609018 /nfs/dbraw/zinc/60/90/18/999609018.db2.gz BXKNTPJOBGPMHL-FQEVSTJZSA-N 1 1 415.534 3.763 20 30 HHEDMO CCCN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488791188 999609021 /nfs/dbraw/zinc/60/90/21/999609021.db2.gz BXKNTPJOBGPMHL-FQEVSTJZSA-N 1 1 415.534 3.763 20 30 HHEDMO Cc1ccc2c(ncc(C#N)c2N2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000479903011 999642309 /nfs/dbraw/zinc/64/23/09/999642309.db2.gz ZGANTOHFKFONCD-UHFFFAOYSA-N 1 1 422.330 3.895 20 30 HHEDMO Cc1ncc(S(=O)(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)cc1C#N ZINC000489121384 999705822 /nfs/dbraw/zinc/70/58/22/999705822.db2.gz GTJKOOCYLBMYLW-UHFFFAOYSA-N 1 1 412.559 3.505 20 30 HHEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000480503249 999813560 /nfs/dbraw/zinc/81/35/60/999813560.db2.gz XVFWACJYQZLLAM-OALUTQOASA-N 1 1 421.541 3.641 20 30 HHEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000490031706 999881416 /nfs/dbraw/zinc/88/14/16/999881416.db2.gz ORQLPKUJXSOBAO-QHCPKHFHSA-N 1 1 417.557 3.687 20 30 HHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000490252065 999922008 /nfs/dbraw/zinc/92/20/08/999922008.db2.gz UHGRKPCXJSXHLY-LVWPNOBMSA-N 1 1 413.468 3.944 20 30 HHEDMO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000490252065 999922009 /nfs/dbraw/zinc/92/20/09/999922009.db2.gz UHGRKPCXJSXHLY-LVWPNOBMSA-N 1 1 413.468 3.944 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000490374562 999947186 /nfs/dbraw/zinc/94/71/86/999947186.db2.gz SVMUGGIPIZQTEF-GHTZIAJQSA-N 1 1 406.530 3.635 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000490397446 999950957 /nfs/dbraw/zinc/95/09/57/999950957.db2.gz GMQGCKJBEZKXPZ-QGZVFWFLSA-N 1 1 405.468 3.665 20 30 HHEDMO CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000490744415 999999530 /nfs/dbraw/zinc/99/95/30/999999530.db2.gz HWBTWIPRDZYJDA-IRXDYDNUSA-N 1 1 417.513 3.789 20 30 HHEDMO C=CCN1CCC([NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000491036127 1000037638 /nfs/dbraw/zinc/03/76/38/1000037638.db2.gz KVOSCAUKEVGFLN-QFIPXVFZSA-N 1 1 420.525 3.698 20 30 HHEDMO 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422.367 3.501 20 30 HHEDMO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508881946 1003304488 /nfs/dbraw/zinc/30/44/88/1003304488.db2.gz UIQBIZKCZOOSAF-UHFFFAOYSA-N 1 1 400.486 3.595 20 30 HHEDMO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508892556 1003321724 /nfs/dbraw/zinc/32/17/24/1003321724.db2.gz CSLYDGXFXRODKQ-SFHVURJKSA-N 1 1 406.534 3.954 20 30 HHEDMO Cc1onc(CC(=O)Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)c1C#N ZINC000500039710 1003367910 /nfs/dbraw/zinc/36/79/10/1003367910.db2.gz XYVIHANMFKKPJV-FQEVSTJZSA-N 1 1 410.518 3.815 20 30 HHEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508934823 1003381856 /nfs/dbraw/zinc/38/18/56/1003381856.db2.gz LBEMNHFMGBNLFX-KRWDZBQOSA-N 1 1 404.543 3.947 20 30 HHEDMO C=CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000509010740 1003481632 /nfs/dbraw/zinc/48/16/32/1003481632.db2.gz KPHGALUFAXFOFJ-SJLPKXTDSA-N 1 1 401.942 3.505 20 30 HHEDMO 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ZINC000303799916 972036365 /nfs/dbraw/zinc/03/63/65/972036365.db2.gz GPDHTMBQHRONQX-FQEVSTJZSA-N 1 1 408.542 3.926 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3csc(-c4ccoc4)n3)CC2)cc1 ZINC000303813635 972047383 /nfs/dbraw/zinc/04/73/83/972047383.db2.gz ZLBQGJYBCUKODO-UHFFFAOYSA-N 1 1 406.511 3.552 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3csc(-c4ccoc4)n3)CC2)cc1 ZINC000303813635 972047387 /nfs/dbraw/zinc/04/73/87/972047387.db2.gz ZLBQGJYBCUKODO-UHFFFAOYSA-N 1 1 406.511 3.552 20 30 HHEDMO C=CC[N@@H+](Cc1cnc(-c2ccccn2)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629721 1013183052 /nfs/dbraw/zinc/18/30/52/1013183052.db2.gz YPRLGWPKENSWOU-INIZCTEOSA-N 1 1 403.515 3.930 20 30 HHEDMO C=CC[N@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630228 1013184191 /nfs/dbraw/zinc/18/41/91/1013184191.db2.gz NMRKLPOWJITYAE-DLBZAZTESA-N 1 1 405.502 3.744 20 30 HHEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000303882032 972422797 /nfs/dbraw/zinc/42/27/97/972422797.db2.gz RESRDSDRHUYRAL-VQTJNVASSA-N 1 1 409.534 3.598 20 30 HHEDMO N#Cc1ccncc1N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000537639564 1013196497 /nfs/dbraw/zinc/19/64/97/1013196497.db2.gz XNWQGGROAXJEIS-UHFFFAOYSA-N 1 1 405.483 3.912 20 30 HHEDMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(OC)c1 ZINC000542249203 1013208668 /nfs/dbraw/zinc/20/86/68/1013208668.db2.gz XLRKARRSWWKYAN-HSZRJFAPSA-N 1 1 419.525 3.904 20 30 HHEDMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(OC)c1 ZINC000542249203 1013208677 /nfs/dbraw/zinc/20/86/77/1013208677.db2.gz XLRKARRSWWKYAN-HSZRJFAPSA-N 1 1 419.525 3.904 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000537707095 1013272373 /nfs/dbraw/zinc/27/23/73/1013272373.db2.gz XINFRBAYLDVFLD-GOSISDBHSA-N 1 1 417.488 3.777 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(OCc2ccccc2F)c1 ZINC000537707095 1013272381 /nfs/dbraw/zinc/27/23/81/1013272381.db2.gz XINFRBAYLDVFLD-GOSISDBHSA-N 1 1 417.488 3.777 20 30 HHEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000553334441 1013281319 /nfs/dbraw/zinc/28/13/19/1013281319.db2.gz MGQKROCPKLAGTF-XXUFKVEXSA-N 1 1 405.514 3.813 20 30 HHEDMO COc1cc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)ccc1OCc1ccccc1 ZINC000011432829 962086221 /nfs/dbraw/zinc/08/62/21/962086221.db2.gz JWTFQWUHYUBQMI-XMMPIXPASA-N 1 1 407.514 3.514 20 30 HHEDMO COc1cc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)ccc1OCc1ccccc1 ZINC000011432829 962086234 /nfs/dbraw/zinc/08/62/34/962086234.db2.gz JWTFQWUHYUBQMI-XMMPIXPASA-N 1 1 407.514 3.514 20 30 HHEDMO C=CC[C@H](C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000553377467 1013312018 /nfs/dbraw/zinc/31/20/18/1013312018.db2.gz GJCPUXLTVBDNNH-DQEYMECFSA-N 1 1 403.570 3.765 20 30 HHEDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000553409364 1013335227 /nfs/dbraw/zinc/33/52/27/1013335227.db2.gz XRVBLJKKAYVSCF-INIZCTEOSA-N 1 1 411.775 3.580 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCOc2cccc(C)c2)c1C#N ZINC000015100649 962662650 /nfs/dbraw/zinc/66/26/50/962662650.db2.gz RGMCRRDJADXZOS-UHFFFAOYSA-N 1 1 420.513 3.876 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCOc2cccc(C)c2)c1C#N ZINC000015100649 962662656 /nfs/dbraw/zinc/66/26/56/962662656.db2.gz RGMCRRDJADXZOS-UHFFFAOYSA-N 1 1 420.513 3.876 20 30 HHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OCCOC)C1 ZINC000542425310 1013378138 /nfs/dbraw/zinc/37/81/38/1013378138.db2.gz NHZJBDUHSARNRI-KRWDZBQOSA-N 1 1 402.539 3.606 20 30 HHEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000017306176 963183036 /nfs/dbraw/zinc/18/30/36/963183036.db2.gz FDLVBPIAFVGOOY-MRXNPFEDSA-N 1 1 406.515 3.514 20 30 HHEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000017306176 963183038 /nfs/dbraw/zinc/18/30/38/963183038.db2.gz FDLVBPIAFVGOOY-MRXNPFEDSA-N 1 1 406.515 3.514 20 30 HHEDMO Cc1oc(NC(=O)[C@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000537841985 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HHEDMO C=CCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cc1OC ZINC000023245640 963788819 /nfs/dbraw/zinc/78/88/19/963788819.db2.gz FZIZDFABHPNOBM-UHFFFAOYSA-N 1 1 410.514 3.617 20 30 HHEDMO N#Cc1ccc(CN2CCC[N@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000025934198 964395840 /nfs/dbraw/zinc/39/58/40/964395840.db2.gz UHRTVLZMHLNYPJ-RUZDIDTESA-N 1 1 416.569 3.650 20 30 HHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051052646 964451868 /nfs/dbraw/zinc/45/18/68/964451868.db2.gz KVDLNTTZXIGAMD-WBVHZDCISA-N 1 1 404.942 3.557 20 30 HHEDMO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000051058019 964455315 /nfs/dbraw/zinc/45/53/15/964455315.db2.gz UQYSPQBTCJADSZ-CQSZACIVSA-N 1 1 404.536 3.521 20 30 HHEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000051058019 964455321 /nfs/dbraw/zinc/45/53/21/964455321.db2.gz UQYSPQBTCJADSZ-CQSZACIVSA-N 1 1 404.536 3.521 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026330714 964526121 /nfs/dbraw/zinc/52/61/21/964526121.db2.gz ALRPWJFUKJOKRK-ZDUSSCGKSA-N 1 1 419.266 3.622 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026330714 964526147 /nfs/dbraw/zinc/52/61/47/964526147.db2.gz ALRPWJFUKJOKRK-ZDUSSCGKSA-N 1 1 419.266 3.622 20 30 HHEDMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCOc1cccc(C#N)c1 ZINC000051559414 964619420 /nfs/dbraw/zinc/61/94/20/964619420.db2.gz KMMUDUUZTKYYFM-UHFFFAOYSA-N 1 1 402.292 3.579 20 30 HHEDMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000051559414 964619422 /nfs/dbraw/zinc/61/94/22/964619422.db2.gz KMMUDUUZTKYYFM-UHFFFAOYSA-N 1 1 402.292 3.579 20 30 HHEDMO CCC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccc(C#N)cc1 ZINC000052826006 964995040 /nfs/dbraw/zinc/99/50/40/964995040.db2.gz DGCOLBSKALBJEY-UHFFFAOYSA-N 1 1 405.542 3.635 20 30 HHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953253 965007399 /nfs/dbraw/zinc/00/73/99/965007399.db2.gz RZPXJMXLXGPBTP-QFKVYABISA-N 1 1 410.562 3.656 20 30 HHEDMO N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000057140191 965307145 /nfs/dbraw/zinc/30/71/45/965307145.db2.gz QSYORULOJCPVNQ-RUZDIDTESA-N 1 1 416.569 3.505 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000053979104 965334483 /nfs/dbraw/zinc/33/44/83/965334483.db2.gz FDSXKRPAMVRBHF-UHFFFAOYSA-N 1 1 414.456 3.577 20 30 HHEDMO C[C@H]1C[NH+](CCOC2CCN(c3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000538006303 1013579479 /nfs/dbraw/zinc/57/94/79/1013579479.db2.gz SGGFNJBIRDYQLT-HOTGVXAUSA-N 1 1 411.468 3.672 20 30 HHEDMO N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000030015458 965596804 /nfs/dbraw/zinc/59/68/04/965596804.db2.gz JZFKYSGQRBYACC-UHFFFAOYSA-N 1 1 411.505 3.987 20 30 HHEDMO Cc1noc([C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000054677397 965607267 /nfs/dbraw/zinc/60/72/67/965607267.db2.gz YIJFBLZVYDQRRE-HNNXBMFYSA-N 1 1 413.547 3.788 20 30 HHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000054720113 965621779 /nfs/dbraw/zinc/62/17/79/965621779.db2.gz RNNXYOFSYGTSJX-REWPJTCUSA-N 1 1 417.557 3.615 20 30 HHEDMO CN(C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCc2ccccc21 ZINC000055171773 965774234 /nfs/dbraw/zinc/77/42/34/965774234.db2.gz MXCOEKBXNATTED-VWLOTQADSA-N 1 1 416.569 3.602 20 30 HHEDMO CN(C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCc2ccccc21 ZINC000055171773 965774244 /nfs/dbraw/zinc/77/42/44/965774244.db2.gz MXCOEKBXNATTED-VWLOTQADSA-N 1 1 416.569 3.602 20 30 HHEDMO CN(C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCc2ccccc21 ZINC000055171773 965774250 /nfs/dbraw/zinc/77/42/50/965774250.db2.gz MXCOEKBXNATTED-VWLOTQADSA-N 1 1 416.569 3.602 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000059391077 966021036 /nfs/dbraw/zinc/02/10/36/966021036.db2.gz LXDOCRSCGKEOIH-UHFFFAOYSA-N 1 1 400.567 3.996 20 30 HHEDMO CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469509 966158917 /nfs/dbraw/zinc/15/89/17/966158917.db2.gz FWSUYVXBEZELOJ-HXUWFJFHSA-N 1 1 405.542 3.806 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N2CC[NH+](CCc3cccs3)CC2)c1C#N ZINC000056302478 966295191 /nfs/dbraw/zinc/29/51/91/966295191.db2.gz UEQJKICAUXADRR-UHFFFAOYSA-N 1 1 412.584 3.615 20 30 HHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056761427 966450455 /nfs/dbraw/zinc/45/04/55/966450455.db2.gz DJYSNOKYODHBCN-UHFFFAOYSA-N 1 1 406.530 3.877 20 30 HHEDMO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042684151 966828100 /nfs/dbraw/zinc/82/81/00/966828100.db2.gz STDJQVQEAXLQMG-LJQANCHMSA-N 1 1 413.525 3.641 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000063401910 966845107 /nfs/dbraw/zinc/84/51/07/966845107.db2.gz XGBWCOANNSXEOI-UHFFFAOYSA-N 1 1 408.502 3.741 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063789852 966958356 /nfs/dbraw/zinc/95/83/56/966958356.db2.gz SUFKMFUTGLHIAG-XMMPIXPASA-N 1 1 420.557 3.628 20 30 HHEDMO CC(C)C(=O)Nc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000043674661 967012524 /nfs/dbraw/zinc/01/25/24/967012524.db2.gz PLCJTCGUQRWTAC-UHFFFAOYSA-N 1 1 419.529 3.893 20 30 HHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 ZINC000542837376 1013699275 /nfs/dbraw/zinc/69/92/75/1013699275.db2.gz JQMVLGGUEQWTMP-UHFFFAOYSA-N 1 1 406.465 3.656 20 30 HHEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000064348652 967149837 /nfs/dbraw/zinc/14/98/37/967149837.db2.gz XHVQGVSKMKTRNC-UHFFFAOYSA-N 1 1 409.408 3.799 20 30 HHEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000064348652 967149840 /nfs/dbraw/zinc/14/98/40/967149840.db2.gz XHVQGVSKMKTRNC-UHFFFAOYSA-N 1 1 409.408 3.799 20 30 HHEDMO C=CCc1ccc(OCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(OC)c1 ZINC000064522314 967225053 /nfs/dbraw/zinc/22/50/53/967225053.db2.gz WGMYGUAWSWSFML-IBGZPJMESA-N 1 1 414.571 3.892 20 30 HHEDMO CCCCOc1ncccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000064768580 967289513 /nfs/dbraw/zinc/28/95/13/967289513.db2.gz BSOSXWHLDXGQNK-UHFFFAOYSA-N 1 1 421.545 3.550 20 30 HHEDMO Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)s1 ZINC000065261927 967418808 /nfs/dbraw/zinc/41/88/08/967418808.db2.gz ROFFDSOODDFLPE-SFHVURJKSA-N 1 1 424.570 3.586 20 30 HHEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1)C1CC1 ZINC000065277451 967424614 /nfs/dbraw/zinc/42/46/14/967424614.db2.gz QRMSRJIUVCSOLF-RTWAWAEBSA-N 1 1 412.331 3.937 20 30 HHEDMO C=CCc1cc(CNC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc(OC)c1OC ZINC000065388967 967450557 /nfs/dbraw/zinc/45/05/57/967450557.db2.gz BLIYVEATCNSUHE-UHFFFAOYSA-N 1 1 423.557 3.768 20 30 HHEDMO CCCOc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000045881168 967586160 /nfs/dbraw/zinc/58/61/60/967586160.db2.gz NNAJUCOMJOYASF-UHFFFAOYSA-N 1 1 406.530 3.765 20 30 HHEDMO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518502 967837524 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406.530 3.809 20 30 HHEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000538262488 1013803845 /nfs/dbraw/zinc/80/38/45/1013803845.db2.gz BILRRJFHGSSXIY-XZOQPEGZSA-N 1 1 424.495 3.511 20 30 HHEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000538262488 1013803857 /nfs/dbraw/zinc/80/38/57/1013803857.db2.gz BILRRJFHGSSXIY-XZOQPEGZSA-N 1 1 424.495 3.511 20 30 HHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H](C)C1 ZINC000554128954 1013811244 /nfs/dbraw/zinc/81/12/44/1013811244.db2.gz VWAMRQSBRCPDKO-XLNZFTOWSA-N 1 1 403.526 3.940 20 30 HHEDMO Cc1nc(SCC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(C#N)c(C)c1C ZINC000065826828 968665687 /nfs/dbraw/zinc/66/56/87/968665687.db2.gz KCVYICOZXQMWKF-QUCCMNQESA-N 1 1 408.571 3.922 20 30 HHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000109574354 969536124 /nfs/dbraw/zinc/53/61/24/969536124.db2.gz ZFMXTEQGUIZTBE-SFTDATJTSA-N 1 1 407.558 3.969 20 30 HHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000109574354 969536131 /nfs/dbraw/zinc/53/61/31/969536131.db2.gz ZFMXTEQGUIZTBE-SFTDATJTSA-N 1 1 407.558 3.969 20 30 HHEDMO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000110914035 969740716 /nfs/dbraw/zinc/74/07/16/969740716.db2.gz BEQXYOOVKBVNKA-XMMPIXPASA-N 1 1 402.542 3.508 20 30 HHEDMO C[N@H+](Cc1ccccc1)CC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000110914035 969740719 /nfs/dbraw/zinc/74/07/19/969740719.db2.gz BEQXYOOVKBVNKA-XMMPIXPASA-N 1 1 402.542 3.508 20 30 HHEDMO CN(C(=O)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)C1(C#N)CCCCC1 ZINC000111040884 969765040 /nfs/dbraw/zinc/76/50/40/969765040.db2.gz UPLJAOMMZYYZTI-UHFFFAOYSA-N 1 1 411.525 3.765 20 30 HHEDMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000116401402 969891137 /nfs/dbraw/zinc/89/11/37/969891137.db2.gz FRVFUNUWMXGTJW-FQEVSTJZSA-N 1 1 423.517 3.703 20 30 HHEDMO 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HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCOC4(CCCCC4)C3)CC2)cc1 ZINC000426503000 974492293 /nfs/dbraw/zinc/49/22/93/974492293.db2.gz HDBBAMRWKDQFTO-QFIPXVFZSA-N 1 1 410.562 3.657 20 30 HHEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c2ccccc21 ZINC000426787663 974659336 /nfs/dbraw/zinc/65/93/36/974659336.db2.gz GTHQKFTVVNDPTQ-HXUWFJFHSA-N 1 1 409.530 3.788 20 30 HHEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426797221 974667593 /nfs/dbraw/zinc/66/75/93/974667593.db2.gz APOYJBRAXAVXNU-QGZVFWFLSA-N 1 1 402.947 3.924 20 30 HHEDMO CCc1ccc(C[NH+]2CCN(CC(=O)Nc3sc(C)c(C)c3C#N)CC2)s1 ZINC000427027535 974838029 /nfs/dbraw/zinc/83/80/29/974838029.db2.gz IVXAMVHWGLIFBP-UHFFFAOYSA-N 1 1 402.589 3.617 20 30 HHEDMO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000427480775 975139904 /nfs/dbraw/zinc/13/99/04/975139904.db2.gz QTSRDZSGGAHKQO-VWLOTQADSA-N 1 1 418.541 3.597 20 30 HHEDMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)ccn2)CC1 ZINC000428001105 975381654 /nfs/dbraw/zinc/38/16/54/975381654.db2.gz OBUZKZFBJCHXKS-UHFFFAOYSA-N 1 1 413.481 3.750 20 30 HHEDMO C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000428208236 975532656 /nfs/dbraw/zinc/53/26/56/975532656.db2.gz CSPIXYGGICMYMV-KRWDZBQOSA-N 1 1 419.554 3.702 20 30 HHEDMO C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000428208236 975532668 /nfs/dbraw/zinc/53/26/68/975532668.db2.gz CSPIXYGGICMYMV-KRWDZBQOSA-N 1 1 419.554 3.702 20 30 HHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](C(=O)NCC(F)(F)F)C3)c2)c1 ZINC000428485634 975785001 /nfs/dbraw/zinc/78/50/01/975785001.db2.gz SGXXFFIICQHRHB-LJQANCHMSA-N 1 1 417.431 3.638 20 30 HHEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000428488078 975787528 /nfs/dbraw/zinc/78/75/28/975787528.db2.gz YSESKYQBOMGKTF-SFHVURJKSA-N 1 1 400.544 3.984 20 30 HHEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428701635 975992930 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C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433057858 979054297 /nfs/dbraw/zinc/05/42/97/979054297.db2.gz IOUUIDFSCGIVEM-SJLPKXTDSA-N 1 1 411.571 3.751 20 30 HHEDMO COCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCSC1 ZINC000433187878 979129049 /nfs/dbraw/zinc/12/90/49/979129049.db2.gz AHGCTWOEOGSMHJ-HNNXBMFYSA-N 1 1 407.605 3.671 20 30 HHEDMO COCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCSC1 ZINC000433187878 979129057 /nfs/dbraw/zinc/12/90/57/979129057.db2.gz AHGCTWOEOGSMHJ-HNNXBMFYSA-N 1 1 407.605 3.671 20 30 HHEDMO COc1cc(C[N@@H+](CCO)[C@H]2CCCSC2)ccc1OCc1cccc(C#N)c1 ZINC000433202589 979138033 /nfs/dbraw/zinc/13/80/33/979138033.db2.gz RTZJVIBZRAEFMX-NRFANRHFSA-N 1 1 412.555 3.836 20 30 HHEDMO CCCNc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000434452933 980190405 /nfs/dbraw/zinc/19/04/05/980190405.db2.gz HJBIUWPQQGASBN-UHFFFAOYSA-N 1 1 405.546 3.798 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434754163 980380465 /nfs/dbraw/zinc/38/04/65/980380465.db2.gz HSLQEWFYSUYLJZ-VWLOTQADSA-N 1 1 422.573 3.924 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434754163 980380475 /nfs/dbraw/zinc/38/04/75/980380475.db2.gz HSLQEWFYSUYLJZ-VWLOTQADSA-N 1 1 422.573 3.924 20 30 HHEDMO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1COc2ccccc2O1 ZINC000434834890 980431968 /nfs/dbraw/zinc/43/19/68/980431968.db2.gz WGKJPBASJIUGRO-FQEVSTJZSA-N 1 1 403.486 3.521 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434896506 980477453 /nfs/dbraw/zinc/47/74/53/980477453.db2.gz QWAHLUSVSZBSNW-PZJWPPBQSA-N 1 1 408.546 3.830 20 30 HHEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000434987677 980552125 /nfs/dbraw/zinc/55/21/25/980552125.db2.gz OOSLTCKCQWOZAN-CTNGQTDRSA-N 1 1 423.536 3.602 20 30 HHEDMO COc1cc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000435039485 980588546 /nfs/dbraw/zinc/58/85/46/980588546.db2.gz GWBHFFPCOVIBPO-UHFFFAOYSA-N 1 1 411.933 3.887 20 30 HHEDMO N#CCCn1cc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c(-c2ccncc2)n1 ZINC000435134166 980665604 /nfs/dbraw/zinc/66/56/04/980665604.db2.gz VVIFMSVJXXPJKH-UHFFFAOYSA-N 1 1 420.948 3.830 20 30 HHEDMO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435370222 980819550 /nfs/dbraw/zinc/81/95/50/980819550.db2.gz HZARUFNQRAYRKG-NQIIRXRSSA-N 1 1 415.497 3.608 20 30 HHEDMO C[N@@H+](Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)s1)C1CCCCC1 ZINC000435447931 980868432 /nfs/dbraw/zinc/86/84/32/980868432.db2.gz RSXLNYAZFNDRHS-UHFFFAOYSA-N 1 1 403.573 3.863 20 30 HHEDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436332746 981305747 /nfs/dbraw/zinc/30/57/47/981305747.db2.gz IECRPYUJUUJJNF-OALUTQOASA-N 1 1 420.557 3.773 20 30 HHEDMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)c(C)o1 ZINC000437131641 981782449 /nfs/dbraw/zinc/78/24/49/981782449.db2.gz BJGVGHVKWCUYPZ-UHFFFAOYSA-N 1 1 403.429 3.764 20 30 HHEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448463936 981798230 /nfs/dbraw/zinc/79/82/30/981798230.db2.gz DXXFUXXBOMAXAI-PXNSSMCTSA-N 1 1 405.464 3.715 20 30 HHEDMO C=CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460276092 982051896 /nfs/dbraw/zinc/05/18/96/982051896.db2.gz KDFGTLPCMXUKBI-XZOQPEGZSA-N 1 1 405.542 3.915 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000460341504 982113749 /nfs/dbraw/zinc/11/37/49/982113749.db2.gz BVXRBXLEGYKBEW-DTVZVWBHSA-N 1 1 410.949 3.896 20 30 HHEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460386645 982165713 /nfs/dbraw/zinc/16/57/13/982165713.db2.gz IXKCBDOIQIGAGB-HOCLYGCPSA-N 1 1 421.387 3.921 20 30 HHEDMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C#N)cs2)c1 ZINC000437659149 982275940 /nfs/dbraw/zinc/27/59/40/982275940.db2.gz PBAFBPVBOXOEBT-ZDUSSCGKSA-N 1 1 400.479 3.824 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C#N)cs2)c1 ZINC000437659149 982275949 /nfs/dbraw/zinc/27/59/49/982275949.db2.gz PBAFBPVBOXOEBT-ZDUSSCGKSA-N 1 1 400.479 3.824 20 30 HHEDMO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460542151 982328976 /nfs/dbraw/zinc/32/89/76/982328976.db2.gz IJJKLWXJPUOYLH-IEBWSBKVSA-N 1 1 413.566 3.705 20 30 HHEDMO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460562387 982347726 /nfs/dbraw/zinc/34/77/26/982347726.db2.gz SFQMVROMPKNKKN-CTNGQTDRSA-N 1 1 411.594 3.957 20 30 HHEDMO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000460568044 982352593 /nfs/dbraw/zinc/35/25/93/982352593.db2.gz RPILWEKLUAASDG-QFIPXVFZSA-N 1 1 414.642 3.583 20 30 HHEDMO CCOCCCn1c(C2CCC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460685426 982449061 /nfs/dbraw/zinc/44/90/61/982449061.db2.gz AIKAPZQLMYUECQ-UHFFFAOYSA-N 1 1 422.577 3.556 20 30 HHEDMO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460786677 982539492 /nfs/dbraw/zinc/53/94/92/982539492.db2.gz LCAMFNGPVXEEGW-WFXMLNOXSA-N 1 1 411.550 3.676 20 30 HHEDMO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460786675 982539641 /nfs/dbraw/zinc/53/96/41/982539641.db2.gz LCAMFNGPVXEEGW-OPYAIIAOSA-N 1 1 411.550 3.676 20 30 HHEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000438051298 982552737 /nfs/dbraw/zinc/55/27/37/982552737.db2.gz GKUYMHLAOHAMGJ-WDSOQIARSA-N 1 1 411.468 3.560 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460956267 982689484 /nfs/dbraw/zinc/68/94/84/982689484.db2.gz FEJSLZFUWHCCBY-MSOLQXFVSA-N 1 1 413.566 3.847 20 30 HHEDMO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461214684 982927660 /nfs/dbraw/zinc/92/76/60/982927660.db2.gz YXFZCADIPURHKZ-SFHVURJKSA-N 1 1 407.539 3.504 20 30 HHEDMO CCC(CC)[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000438643115 982961543 /nfs/dbraw/zinc/96/15/43/982961543.db2.gz SGYMDQTXGCFKOM-GOSISDBHSA-N 1 1 412.456 3.836 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000438659216 982976892 /nfs/dbraw/zinc/97/68/92/982976892.db2.gz XQOIBBSFRGUZMM-DENIHFKCSA-N 1 1 421.541 3.874 20 30 HHEDMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438780828 983067342 /nfs/dbraw/zinc/06/73/42/983067342.db2.gz IWHVPMSUNQNOQQ-MRXNPFEDSA-N 1 1 416.294 3.685 20 30 HHEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)o2)cc1 ZINC000438784250 983069004 /nfs/dbraw/zinc/06/90/04/983069004.db2.gz RXQCIBULCFYODF-UHFFFAOYSA-N 1 1 422.876 3.507 20 30 HHEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461424399 983087608 /nfs/dbraw/zinc/08/76/08/983087608.db2.gz GDTDTVZWSZDXDY-LSQMVHIFSA-N 1 1 417.553 3.942 20 30 HHEDMO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cc(F)cc(C#N)c1 ZINC000461458971 983125644 /nfs/dbraw/zinc/12/56/44/983125644.db2.gz XKRFZEWQDBTDHM-NHCUHLMSSA-N 1 1 405.517 3.955 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000439231764 983321602 /nfs/dbraw/zinc/32/16/02/983321602.db2.gz WBFADEKWFOLGHR-SFHVURJKSA-N 1 1 417.962 3.744 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1C#N ZINC000439302037 983353582 /nfs/dbraw/zinc/35/35/82/983353582.db2.gz MQHGGOHAADGGFL-QFIPXVFZSA-N 1 1 424.520 3.934 20 30 HHEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439432808 983406651 /nfs/dbraw/zinc/40/66/51/983406651.db2.gz WGEIMMWWYDMJIE-HNNXBMFYSA-N 1 1 403.935 3.945 20 30 HHEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439432808 983406654 /nfs/dbraw/zinc/40/66/54/983406654.db2.gz WGEIMMWWYDMJIE-HNNXBMFYSA-N 1 1 403.935 3.945 20 30 HHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000439437635 983408469 /nfs/dbraw/zinc/40/84/69/983408469.db2.gz ZOTWOBRMITUPML-QZTJIDSGSA-N 1 1 416.591 3.504 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c1 ZINC000439831321 983552920 /nfs/dbraw/zinc/55/29/20/983552920.db2.gz OSGVNYBDZXGQKP-UHFFFAOYSA-N 1 1 401.894 3.934 20 30 HHEDMO COc1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)ccc1C#N ZINC000440828042 983926449 /nfs/dbraw/zinc/92/64/49/983926449.db2.gz SHAZAKIEQTVKKA-UHFFFAOYSA-N 1 1 418.463 3.627 20 30 HHEDMO N#CC1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000441012735 984021959 /nfs/dbraw/zinc/02/19/59/984021959.db2.gz RRNORHOLGPYFIH-LADRWXRNSA-N 1 1 408.468 3.909 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)sc2c1CCCCC2 ZINC000441286760 984159838 /nfs/dbraw/zinc/15/98/38/984159838.db2.gz OVAOYVARRVPRQJ-IRXDYDNUSA-N 1 1 401.576 3.966 20 30 HHEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)[C@H](C)C1 ZINC000441327798 984186880 /nfs/dbraw/zinc/18/68/80/984186880.db2.gz BQZFQRRUEJYRFD-FOIQADDNSA-N 1 1 412.509 3.602 20 30 HHEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)[C@H](C)C1 ZINC000441327798 984186883 /nfs/dbraw/zinc/18/68/83/984186883.db2.gz BQZFQRRUEJYRFD-FOIQADDNSA-N 1 1 412.509 3.602 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000441332390 984190190 /nfs/dbraw/zinc/19/01/90/984190190.db2.gz JVMWRYRIXMBUBT-UNMCSNQZSA-N 1 1 421.541 3.869 20 30 HHEDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000441379565 984219491 /nfs/dbraw/zinc/21/94/91/984219491.db2.gz JIHHMCLNNDUOIQ-GOSISDBHSA-N 1 1 417.513 3.713 20 30 HHEDMO CCOc1ccccc1C[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000441379565 984219496 /nfs/dbraw/zinc/21/94/96/984219496.db2.gz JIHHMCLNNDUOIQ-GOSISDBHSA-N 1 1 417.513 3.713 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C#N ZINC000441394117 984228138 /nfs/dbraw/zinc/22/81/38/984228138.db2.gz NYGBVQKOWSUIPX-WMZHIEFXSA-N 1 1 423.605 3.979 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C#N ZINC000441394114 984228249 /nfs/dbraw/zinc/22/82/49/984228249.db2.gz NYGBVQKOWSUIPX-CVDCTZTESA-N 1 1 423.605 3.979 20 30 HHEDMO C[C@H]1CCCN(c2cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccn2)C1 ZINC000461793104 984781456 /nfs/dbraw/zinc/78/14/56/984781456.db2.gz ARVWYKCEKBFTND-FQEVSTJZSA-N 1 1 417.557 3.538 20 30 HHEDMO C[C@H]1CCCN(c2cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)ccn2)C1 ZINC000461793104 984781460 /nfs/dbraw/zinc/78/14/60/984781460.db2.gz ARVWYKCEKBFTND-FQEVSTJZSA-N 1 1 417.557 3.538 20 30 HHEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccco1 ZINC000443036195 985347007 /nfs/dbraw/zinc/34/70/07/985347007.db2.gz LQPIATLNFVMBMF-HNNXBMFYSA-N 1 1 415.437 3.531 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1cccs1 ZINC000443239730 985457673 /nfs/dbraw/zinc/45/76/73/985457673.db2.gz ZHFJIOVGYOOYMH-SCLBCKFNSA-N 1 1 409.964 3.635 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNc2ccc(C(F)(F)F)c(C#N)n2)C[C@H](C)O1 ZINC000443511421 985683175 /nfs/dbraw/zinc/68/31/75/985683175.db2.gz SPSXZWRHRSLZKW-GASCZTMLSA-N 1 1 404.436 4.193 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000463017288 985973587 /nfs/dbraw/zinc/97/35/87/985973587.db2.gz ZPKDCZXSOGYJRT-DVECYGJZSA-N 1 1 400.526 3.877 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC000463017160 985974154 /nfs/dbraw/zinc/97/41/54/985974154.db2.gz XGLUZIJLMOCAPJ-RPWUZVMVSA-N 1 1 418.541 3.696 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C(C)C)[C@H]2CCOC2)c1C#N ZINC000463224329 986194313 /nfs/dbraw/zinc/19/43/13/986194313.db2.gz WQRHDHPLKRKAHG-FQEVSTJZSA-N 1 1 412.509 3.602 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444176257 986353830 /nfs/dbraw/zinc/35/38/30/986353830.db2.gz NYXSPZVXWZNGNQ-FUHWJXTLSA-N 1 1 409.555 3.974 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000444176257 986353843 /nfs/dbraw/zinc/35/38/43/986353843.db2.gz NYXSPZVXWZNGNQ-FUHWJXTLSA-N 1 1 409.555 3.974 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000463509554 986485211 /nfs/dbraw/zinc/48/52/11/986485211.db2.gz OOGJDIHAUCMCKN-RTBURBONSA-N 1 1 413.443 3.814 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000463509554 986485218 /nfs/dbraw/zinc/48/52/18/986485218.db2.gz OOGJDIHAUCMCKN-RTBURBONSA-N 1 1 413.443 3.814 20 30 HHEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1 ZINC000469015381 986722621 /nfs/dbraw/zinc/72/26/21/986722621.db2.gz PZEUNTDTSUNNCW-GOSISDBHSA-N 1 1 407.514 3.657 20 30 HHEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1 ZINC000469015381 986722630 /nfs/dbraw/zinc/72/26/30/986722630.db2.gz PZEUNTDTSUNNCW-GOSISDBHSA-N 1 1 407.514 3.657 20 30 HHEDMO N#CC(CC[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)(c1ccccc1)c1ccccc1 ZINC000444600809 986787354 /nfs/dbraw/zinc/78/73/54/986787354.db2.gz CUOCAOXUIVZYQE-QHCPKHFHSA-N 1 1 419.594 3.926 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000469120316 986837346 /nfs/dbraw/zinc/83/73/46/986837346.db2.gz ZNBBEGZUCKKVID-IBGZPJMESA-N 1 1 413.525 3.922 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000469120316 986837356 /nfs/dbraw/zinc/83/73/56/986837356.db2.gz ZNBBEGZUCKKVID-IBGZPJMESA-N 1 1 413.525 3.922 20 30 HHEDMO C=CCC[C@@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000444683753 986863776 /nfs/dbraw/zinc/86/37/76/986863776.db2.gz ISFQIMNKFDOTEI-GOSISDBHSA-N 1 1 409.456 3.916 20 30 HHEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CCCC1(C)C ZINC000444782594 986939387 /nfs/dbraw/zinc/93/93/87/986939387.db2.gz JQFCMMXMPZAHKA-IBGZPJMESA-N 1 1 412.513 3.684 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469268439 986987627 /nfs/dbraw/zinc/98/76/27/986987627.db2.gz SRKBNGXRVGKMOY-ZWKOTPCHSA-N 1 1 400.482 3.948 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469268439 986987633 /nfs/dbraw/zinc/98/76/33/986987633.db2.gz SRKBNGXRVGKMOY-ZWKOTPCHSA-N 1 1 400.482 3.948 20 30 HHEDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469268422 986987839 /nfs/dbraw/zinc/98/78/39/986987839.db2.gz SRKBNGXRVGKMOY-ROUUACIJSA-N 1 1 400.482 3.948 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469268422 986987845 /nfs/dbraw/zinc/98/78/45/986987845.db2.gz SRKBNGXRVGKMOY-ROUUACIJSA-N 1 1 400.482 3.948 20 30 HHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000469634218 987293447 /nfs/dbraw/zinc/29/34/47/987293447.db2.gz RXBFQMMRRHSLSH-QFIPXVFZSA-N 1 1 420.557 3.699 20 30 HHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000469988634 987604827 /nfs/dbraw/zinc/60/48/27/987604827.db2.gz BQDZAUPLIGMWFJ-HNNXBMFYSA-N 1 1 406.370 3.836 20 30 HHEDMO 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ZINC000465954295 991094601 /nfs/dbraw/zinc/09/46/01/991094601.db2.gz KVPFNRCYNLIFQQ-YADHBBJMSA-N 1 1 403.530 3.840 20 30 HHEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000465978063 991133824 /nfs/dbraw/zinc/13/38/24/991133824.db2.gz ZWBPNCDEJNZJGO-NRFANRHFSA-N 1 1 419.573 3.691 20 30 HHEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000466005974 991171364 /nfs/dbraw/zinc/17/13/64/991171364.db2.gz FCDUKZOIPDTYHG-UHFFFAOYSA-N 1 1 416.485 3.917 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)[C@H]1c1cccs1 ZINC000466072584 991245724 /nfs/dbraw/zinc/24/57/24/991245724.db2.gz BRHUPRCCBVSNKM-UGKGYDQZSA-N 1 1 423.586 3.534 20 30 HHEDMO C[C@H]1C[C@@H](N(C)C(=O)NCCOc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000466107802 991285482 /nfs/dbraw/zinc/28/54/82/991285482.db2.gz OKJZAXIWSZHXIQ-UGKGYDQZSA-N 1 1 406.530 3.632 20 30 HHEDMO CCO[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C12CCCC2 ZINC000466435277 991723401 /nfs/dbraw/zinc/72/34/01/991723401.db2.gz XHQDNPGILWMOHD-FCHUYYIVSA-N 1 1 410.562 3.513 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CCC2CCOCC2)c1C#N ZINC000466490655 991779940 /nfs/dbraw/zinc/77/99/40/991779940.db2.gz MYRGHMFELTWEDR-UHFFFAOYSA-N 1 1 412.534 3.695 20 30 HHEDMO CC[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466623933 991939272 /nfs/dbraw/zinc/93/92/72/991939272.db2.gz YSMLKDVPFZQRJG-HXUWFJFHSA-N 1 1 407.518 3.892 20 30 HHEDMO C[NH+](C)Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1Br ZINC000467073364 992378832 /nfs/dbraw/zinc/37/88/32/992378832.db2.gz QZHVTXZMTJNULV-IBGZPJMESA-N 1 1 424.339 3.711 20 30 HHEDMO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C[C@H]1CCCOC1 ZINC000467151739 992468081 /nfs/dbraw/zinc/46/80/81/992468081.db2.gz LVMVARQPFIIYMZ-GOSISDBHSA-N 1 1 406.530 3.525 20 30 HHEDMO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000467551585 992831496 /nfs/dbraw/zinc/83/14/96/992831496.db2.gz BQAZJFUYJMCNLC-GBXCKJPGSA-N 1 1 406.530 3.903 20 30 HHEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000467558570 992839618 /nfs/dbraw/zinc/83/96/18/992839618.db2.gz CCTNYEQINJTBAX-GBXCKJPGSA-N 1 1 421.545 3.803 20 30 HHEDMO CN1CCN(CCC(C)(C)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000472138120 993191633 /nfs/dbraw/zinc/19/16/33/993191633.db2.gz JMFOXUFNRZNPHH-UHFFFAOYSA-N 1 1 406.574 3.643 20 30 HHEDMO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)c1C#N ZINC000472173313 993217871 /nfs/dbraw/zinc/21/78/71/993217871.db2.gz OQAKMNPMXBZEGD-LJQANCHMSA-N 1 1 414.351 3.562 20 30 HHEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000472207246 993240657 /nfs/dbraw/zinc/24/06/57/993240657.db2.gz LUOMVLIAGVIIMP-QHCPKHFHSA-N 1 1 412.493 3.782 20 30 HHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000472207246 993240665 /nfs/dbraw/zinc/24/06/65/993240665.db2.gz LUOMVLIAGVIIMP-QHCPKHFHSA-N 1 1 412.493 3.782 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](N3CCCCC3)C2)c1C#N ZINC000472251246 993278056 /nfs/dbraw/zinc/27/80/56/993278056.db2.gz XMUIIQOMUJKDBJ-HXUWFJFHSA-N 1 1 423.561 3.507 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](N3CCCCC3)C2)c1C#N ZINC000472251246 993278061 /nfs/dbraw/zinc/27/80/61/993278061.db2.gz XMUIIQOMUJKDBJ-HXUWFJFHSA-N 1 1 423.561 3.507 20 30 HHEDMO CC[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000472433878 993435170 /nfs/dbraw/zinc/43/51/70/993435170.db2.gz BDXHZSOJWBMCCZ-DHIUTWEWSA-N 1 1 423.582 3.587 20 30 HHEDMO CC[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000472433878 993435173 /nfs/dbraw/zinc/43/51/73/993435173.db2.gz BDXHZSOJWBMCCZ-DHIUTWEWSA-N 1 1 423.582 3.587 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000472503404 993501998 /nfs/dbraw/zinc/50/19/98/993501998.db2.gz RVQBVEVQJTWKJR-XMZFGDCGSA-N 1 1 421.589 3.619 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]([C@H](C)CO)C2CCCC2)c1C#N ZINC000472611238 993560656 /nfs/dbraw/zinc/56/06/56/993560656.db2.gz KAVSHLBYXMOEER-OAHLLOKOSA-N 1 1 412.509 3.669 20 30 HHEDMO CC[N@@H+](CCC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1)CC(C)C ZINC000480736379 993602366 /nfs/dbraw/zinc/60/23/66/993602366.db2.gz NBEIKJUCCLTOQZ-UHFFFAOYSA-N 1 1 409.571 3.607 20 30 HHEDMO N#CC(CC[NH+]1CCC(CN2CCOCC2)CC1)(c1ccccc1)c1ccccc1 ZINC000472755763 993692299 /nfs/dbraw/zinc/69/22/99/993692299.db2.gz SUHPUOTZPDOAFZ-UHFFFAOYSA-N 1 1 403.570 3.931 20 30 HHEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480839378 993713777 /nfs/dbraw/zinc/71/37/77/993713777.db2.gz DVUPEJXHYAEYMD-YADHBBJMSA-N 1 1 409.555 3.542 20 30 HHEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472893685 993820047 /nfs/dbraw/zinc/82/00/47/993820047.db2.gz CHFFBRKUNMDNTK-UXHICEINSA-N 1 1 419.573 3.611 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c(Br)c1 ZINC000481092057 993930213 /nfs/dbraw/zinc/93/02/13/993930213.db2.gz MBXVSPVFFBDPEH-UHFFFAOYSA-N 1 1 419.367 3.917 20 30 HHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481181200 994011288 /nfs/dbraw/zinc/01/12/88/994011288.db2.gz NHORDUZOEYYYDP-UHFFFAOYSA-N 1 1 410.865 3.708 20 30 HHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481181200 994011296 /nfs/dbraw/zinc/01/12/96/994011296.db2.gz NHORDUZOEYYYDP-UHFFFAOYSA-N 1 1 410.865 3.708 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCSC4(CCOCC4)C3)sc2C1 ZINC000473178123 994044730 /nfs/dbraw/zinc/04/47/30/994044730.db2.gz ZGDYFHBMWQIBPP-HNNXBMFYSA-N 1 1 419.616 3.671 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000481408387 994242979 /nfs/dbraw/zinc/24/29/79/994242979.db2.gz MWPTVNXWXDWIJH-DYESRHJHSA-N 1 1 412.509 3.526 20 30 HHEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473497005 994342956 /nfs/dbraw/zinc/34/29/56/994342956.db2.gz PTVZGUXBDRCFFU-NLFFAJNJSA-N 1 1 403.526 3.840 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1cc(OC)c(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481591424 994436592 /nfs/dbraw/zinc/43/65/92/994436592.db2.gz KTKNYIQAPOEWRJ-OAQYLSRUSA-N 1 1 420.456 3.514 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@H]1CCN(c2sccc2C(=O)OC)C1=O)c1ccc(F)c(F)c1 ZINC000481593871 994440658 /nfs/dbraw/zinc/44/06/58/994440658.db2.gz FZLMODJXWDEIAE-IRXDYDNUSA-N 1 1 406.454 3.825 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCN(c2sccc2C(=O)OC)C1=O)c1ccc(F)c(F)c1 ZINC000481593869 994440959 /nfs/dbraw/zinc/44/09/59/994440959.db2.gz FZLMODJXWDEIAE-IAGOWNOFSA-N 1 1 406.454 3.825 20 30 HHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000481611367 994467153 /nfs/dbraw/zinc/46/71/53/994467153.db2.gz KGFOIMQLBPFIPC-HXUWFJFHSA-N 1 1 411.468 3.851 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481613397 994470293 /nfs/dbraw/zinc/47/02/93/994470293.db2.gz IUINKNVOMNONPE-IBGZPJMESA-N 1 1 409.505 3.530 20 30 HHEDMO N#Cc1ccc(C2(C(=O)NCCC[NH+]3CCN(c4ccccc4Cl)CC3)CC2)cc1 ZINC000473637063 994518622 /nfs/dbraw/zinc/51/86/22/994518622.db2.gz IPOSRHIMYMKYKG-UHFFFAOYSA-N 1 1 422.960 3.572 20 30 HHEDMO COc1cccc([C@H]2[C@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)CC[N@H+]2C2CC2)c1 ZINC000474156286 995139880 /nfs/dbraw/zinc/13/98/80/995139880.db2.gz DULDPBMZGGLIKC-PKTZIBPZSA-N 1 1 401.510 3.693 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)NCC[N@@H+]2CCCC[C@H]2CC)nnc1-c1ccco1 ZINC000482197606 995175719 /nfs/dbraw/zinc/17/57/19/995175719.db2.gz ITCSKVLETIVBNA-QGZVFWFLSA-N 1 1 417.579 3.587 20 30 HHEDMO C=CC[C@H](C)NC(=O)CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000482202586 995184072 /nfs/dbraw/zinc/18/40/72/995184072.db2.gz ZUILVQOYQSEHHH-IBGZPJMESA-N 1 1 417.553 3.762 20 30 HHEDMO CSc1nc(C(C)C)nc(C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000474339367 995319622 /nfs/dbraw/zinc/31/96/22/995319622.db2.gz GMNAXOPTYQURJF-UHFFFAOYSA-N 1 1 423.586 3.850 20 30 HHEDMO CSc1nc(C(C)C)nc(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000474339367 995319627 /nfs/dbraw/zinc/31/96/27/995319627.db2.gz GMNAXOPTYQURJF-UHFFFAOYSA-N 1 1 423.586 3.850 20 30 HHEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000482558345 995564904 /nfs/dbraw/zinc/56/49/04/995564904.db2.gz UTIPDRIBUDGULX-HDICACEKSA-N 1 1 418.541 3.600 20 30 HHEDMO C=C(C)COCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474805423 995717466 /nfs/dbraw/zinc/71/74/66/995717466.db2.gz TYBVFVCHEUZHTO-MJGOQNOKSA-N 1 1 413.484 3.980 20 30 HHEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000474868647 995764295 /nfs/dbraw/zinc/76/42/95/995764295.db2.gz KTPDCDPJLJRYBW-UHFFFAOYSA-N 1 1 404.558 3.555 20 30 HHEDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(Br)cn1 ZINC000482961893 995883663 /nfs/dbraw/zinc/88/36/63/995883663.db2.gz PDBCUWGCAIIBNS-CABCVRRESA-N 1 1 401.308 3.830 20 30 HHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)N(C)C1(C#N)CCC(C)CC1 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N#C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000505934473 1001111670 /nfs/dbraw/zinc/11/16/70/1001111670.db2.gz ZXXJKDFSMZPSEZ-QUCCMNQESA-N 1 1 405.395 3.961 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCOc3cccc(Cl)c3)CC2)cc1 ZINC000505962300 1001130126 /nfs/dbraw/zinc/13/01/26/1001130126.db2.gz LACFCMCEUQLLTJ-UHFFFAOYSA-N 1 1 412.921 3.508 20 30 HHEDMO C=CCOc1ccc(CNC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1 ZINC000506175614 1001261190 /nfs/dbraw/zinc/26/11/90/1001261190.db2.gz UGLRHWTVVHGYCF-SFHVURJKSA-N 1 1 421.541 3.866 20 30 HHEDMO C[N@H+]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](c2ccccc2)C1 ZINC000497402451 1001340701 /nfs/dbraw/zinc/34/07/01/1001340701.db2.gz CQJPTXFSIVQSHG-ZEQRLZLVSA-N 1 1 411.505 3.965 20 30 HHEDMO C[N@H+]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](c2ccccc2)C1 ZINC000497418948 1001352709 /nfs/dbraw/zinc/35/27/09/1001352709.db2.gz SKINSXWCSIATSY-DQEYMECFSA-N 1 1 411.505 3.965 20 30 HHEDMO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000506633929 1001477917 /nfs/dbraw/zinc/47/79/17/1001477917.db2.gz QXJRADIQZUQLSK-UHFFFAOYSA-N 1 1 400.530 3.759 20 30 HHEDMO N#Cc1ccnc(N2CC[NH+](Cc3cccc(OCc4ccc(F)cc4)c3)CC2)c1 ZINC000506663496 1001487126 /nfs/dbraw/zinc/48/71/26/1001487126.db2.gz RSSNNYVRXJXBCM-UHFFFAOYSA-N 1 1 402.473 3.994 20 30 HHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000497750890 1001503922 /nfs/dbraw/zinc/50/39/22/1001503922.db2.gz RHRWDBJOUBHAOT-MSOLQXFVSA-N 1 1 418.969 3.603 20 30 HHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000497750890 1001503926 /nfs/dbraw/zinc/50/39/26/1001503926.db2.gz RHRWDBJOUBHAOT-MSOLQXFVSA-N 1 1 418.969 3.603 20 30 HHEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)C1 ZINC000506745907 1001512113 /nfs/dbraw/zinc/51/21/13/1001512113.db2.gz ZNJMNOVYZWWWMW-UZUQRXQVSA-N 1 1 415.534 3.607 20 30 HHEDMO N#Cc1cccc(COc2cccc(C[NH+]3CCC(CN4CCOCC4)CC3)c2)c1 ZINC000506885624 1001579899 /nfs/dbraw/zinc/57/98/99/1001579899.db2.gz QXCMYHWSLSCHKH-UHFFFAOYSA-N 1 1 405.542 3.681 20 30 HHEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000498433020 1001863289 /nfs/dbraw/zinc/86/32/89/1001863289.db2.gz BUKIHZAIBZATSA-FQEVSTJZSA-N 1 1 420.557 3.548 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000498864112 1002250143 /nfs/dbraw/zinc/25/01/43/1002250143.db2.gz IOYKGOUDAKGRNG-HXUWFJFHSA-N 1 1 419.550 3.968 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000507693950 1002285819 /nfs/dbraw/zinc/28/58/19/1002285819.db2.gz UPSCVGPBMKKJKP-OAQYLSRUSA-N 1 1 424.589 3.663 20 30 HHEDMO COc1cccc([C@@H](C)[NH+]2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000507702430 1002293880 /nfs/dbraw/zinc/29/38/80/1002293880.db2.gz CGTLLAIBPOWSNB-RTWAWAEBSA-N 1 1 420.557 3.709 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000507777390 1002338730 /nfs/dbraw/zinc/33/87/30/1002338730.db2.gz PISUUZSJNJRRGW-PXDATVDWSA-N 1 1 403.526 3.843 20 30 HHEDMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507835742 1002377359 /nfs/dbraw/zinc/37/73/59/1002377359.db2.gz XLMDOTZRBIHMDV-INIZCTEOSA-N 1 1 413.468 3.899 20 30 HHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000499064724 1002448464 /nfs/dbraw/zinc/44/84/64/1002448464.db2.gz MEXRJYSMTKXLSB-BZSISCHUSA-N 1 1 401.576 3.919 20 30 HHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000499064724 1002448471 /nfs/dbraw/zinc/44/84/71/1002448471.db2.gz MEXRJYSMTKXLSB-BZSISCHUSA-N 1 1 401.576 3.919 20 30 HHEDMO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000508452179 1002936349 /nfs/dbraw/zinc/93/63/49/1002936349.db2.gz DMKVJSZOCDIRID-MRXNPFEDSA-N 1 1 406.921 3.890 20 30 HHEDMO C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000508462950 1002948201 /nfs/dbraw/zinc/94/82/01/1002948201.db2.gz BOUQOTVGPHUAEY-UHFFFAOYSA-N 1 1 418.932 3.978 20 30 HHEDMO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508487678 1002971159 /nfs/dbraw/zinc/97/11/59/1002971159.db2.gz GSTNUZOIYKFSBY-ZWKOTPCHSA-N 1 1 401.530 3.911 20 30 HHEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508499459 1002981996 /nfs/dbraw/zinc/98/19/96/1002981996.db2.gz ZNBZCMFNHYEICD-DENIHFKCSA-N 1 1 407.562 3.805 20 30 HHEDMO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508503979 1002986129 /nfs/dbraw/zinc/98/61/29/1002986129.db2.gz IKPNLQAOKVNFOI-FKBYEOEOSA-N 1 1 407.562 3.807 20 30 HHEDMO Cc1cc(-c2nnc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2C)c2ccccc2n1 ZINC000508710340 1003147596 /nfs/dbraw/zinc/14/75/96/1003147596.db2.gz ACTBXWUKAXGRIS-UHFFFAOYSA-N 1 1 423.524 3.533 20 30 HHEDMO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508791367 1003219984 /nfs/dbraw/zinc/21/99/84/1003219984.db2.gz APGPSEYACYNKHD-UTKZUKDTSA-N 1 1 423.561 3.601 20 30 HHEDMO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508791363 1003220107 /nfs/dbraw/zinc/22/01/07/1003220107.db2.gz APGPSEYACYNKHD-DYESRHJHSA-N 1 1 423.561 3.601 20 30 HHEDMO C=CCn1c(-c2ccc(C)s2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508815229 1003240274 /nfs/dbraw/zinc/24/02/74/1003240274.db2.gz YPPVHTPYHFJYFJ-CALCHBBNSA-N 1 1 415.607 3.827 20 30 HHEDMO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508893444 1003322647 /nfs/dbraw/zinc/32/26/47/1003322647.db2.gz HLINBXQZRRXLPH-UHFFFAOYSA-N 1 1 413.909 3.708 20 30 HHEDMO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000508908838 1003348954 /nfs/dbraw/zinc/34/89/54/1003348954.db2.gz WDOVGKCYYXMUKT-DENIHFKCSA-N 1 1 409.578 3.696 20 30 HHEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000508912246 1003351962 /nfs/dbraw/zinc/35/19/62/1003351962.db2.gz KTQZZSBWZWTJQG-UHFFFAOYSA-N 1 1 421.520 3.525 20 30 HHEDMO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000508913548 1003352632 /nfs/dbraw/zinc/35/26/32/1003352632.db2.gz PIJDEUFFLBTZFZ-NQIIRXRSSA-N 1 1 413.566 3.779 20 30 HHEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508934825 1003381009 /nfs/dbraw/zinc/38/10/09/1003381009.db2.gz LBEMNHFMGBNLFX-QGZVFWFLSA-N 1 1 404.543 3.947 20 30 HHEDMO C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508960036 1003421579 /nfs/dbraw/zinc/42/15/79/1003421579.db2.gz IKXLEPOKCIJCJQ-QUCCMNQESA-N 1 1 423.561 3.601 20 30 HHEDMO Cc1onc(CC(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)c1C#N ZINC000500108497 1003469875 /nfs/dbraw/zinc/46/98/75/1003469875.db2.gz GXCLQIWUVNNLMS-UHFFFAOYSA-N 1 1 402.498 3.558 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000509149376 1003586666 /nfs/dbraw/zinc/58/66/66/1003586666.db2.gz FNUOPVARBUBOLV-UHFFFAOYSA-N 1 1 401.413 3.601 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000509149376 1003586658 /nfs/dbraw/zinc/58/66/58/1003586658.db2.gz FNUOPVARBUBOLV-UHFFFAOYSA-N 1 1 401.413 3.601 20 30 HHEDMO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511823168 1003793153 /nfs/dbraw/zinc/79/31/53/1003793153.db2.gz KMFFLVADHVWTOJ-KXBFYZLASA-N 1 1 417.431 3.735 20 30 HHEDMO Cc1onc(CC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1C#N ZINC000500592439 1003805602 /nfs/dbraw/zinc/80/56/02/1003805602.db2.gz ORPCZQVAAHWDOL-MGPUTAFESA-N 1 1 420.435 3.615 20 30 HHEDMO N#CCCn1cc(C[NH2+]Cc2ccsc2Br)c(-c2ccncc2)n1 ZINC000509439509 1003862729 /nfs/dbraw/zinc/86/27/29/1003862729.db2.gz PCNKWHUDORZKPD-UHFFFAOYSA-N 1 1 402.321 3.973 20 30 HHEDMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500648977 1003862882 /nfs/dbraw/zinc/86/28/82/1003862882.db2.gz GDUCAQVIHMBHNJ-LAUBAEHRSA-N 1 1 415.534 3.685 20 30 HHEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500834223 1003990741 /nfs/dbraw/zinc/99/07/41/1003990741.db2.gz ABILOEDQUBBSPL-GHTZIAJQSA-N 1 1 407.514 3.678 20 30 HHEDMO CCCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000509738327 1004063277 /nfs/dbraw/zinc/06/32/77/1004063277.db2.gz PKTMNVUFKGYGAP-SFHVURJKSA-N 1 1 421.545 3.640 20 30 HHEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000500968683 1004085311 /nfs/dbraw/zinc/08/53/11/1004085311.db2.gz SHURYJZETZOSQV-UWJYYQICSA-N 1 1 415.534 3.512 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512236092 1004136919 /nfs/dbraw/zinc/13/69/19/1004136919.db2.gz FJQUJQQDRSZXQB-ATIYNZHBSA-N 1 1 416.569 3.920 20 30 HHEDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 ZINC000512276972 1004178393 /nfs/dbraw/zinc/17/83/93/1004178393.db2.gz MGIZEZBNODPQRN-WIYYLYMNSA-N 1 1 408.571 3.683 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H](N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)C2=O)cc1 ZINC000512292355 1004196035 /nfs/dbraw/zinc/19/60/35/1004196035.db2.gz GWJLLPKMPUFPGC-AZGAKELHSA-N 1 1 414.553 3.652 20 30 HHEDMO N#Cc1cccc(-c2csc(NC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000501173742 1004254613 /nfs/dbraw/zinc/25/46/13/1004254613.db2.gz LQAIJGSBNKREIZ-HXUWFJFHSA-N 1 1 418.522 3.911 20 30 HHEDMO N#Cc1cccc(-c2csc(NC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c1 ZINC000501173742 1004254618 /nfs/dbraw/zinc/25/46/18/1004254618.db2.gz LQAIJGSBNKREIZ-HXUWFJFHSA-N 1 1 418.522 3.911 20 30 HHEDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000512421723 1004288057 /nfs/dbraw/zinc/28/80/57/1004288057.db2.gz USDAQPOVZSIXCM-UHFFFAOYSA-N 1 1 401.466 3.687 20 30 HHEDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000512463060 1004321613 /nfs/dbraw/zinc/32/16/13/1004321613.db2.gz 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C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520466282 1009575056 /nfs/dbraw/zinc/57/50/56/1009575056.db2.gz BNUBQATTWCJHEA-CVDCTZTESA-N 1 1 411.521 3.813 20 30 HHEDMO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520466282 1009575077 /nfs/dbraw/zinc/57/50/77/1009575077.db2.gz BNUBQATTWCJHEA-CVDCTZTESA-N 1 1 411.521 3.813 20 30 HHEDMO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C[C@@H]1CC=CCC1 ZINC000544106511 1009715895 /nfs/dbraw/zinc/71/58/95/1009715895.db2.gz OGXYTXRBFOAYOZ-MOPGFXCFSA-N 1 1 410.562 3.644 20 30 HHEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000550179494 1009757276 /nfs/dbraw/zinc/75/72/76/1009757276.db2.gz SHWMLMXCIMPFGZ-UHFFFAOYSA-N 1 1 416.447 3.956 20 30 HHEDMO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238194 1009795850 /nfs/dbraw/zinc/79/58/50/1009795850.db2.gz XFUDTCCJGXJVRV-JOCHJYFZSA-N 1 1 400.592 3.635 20 30 HHEDMO CN1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238194 1009795921 /nfs/dbraw/zinc/79/59/21/1009795921.db2.gz XFUDTCCJGXJVRV-JOCHJYFZSA-N 1 1 400.592 3.635 20 30 HHEDMO CN1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238194 1009795935 /nfs/dbraw/zinc/79/59/35/1009795935.db2.gz XFUDTCCJGXJVRV-JOCHJYFZSA-N 1 1 400.592 3.635 20 30 HHEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000550572749 1010036727 /nfs/dbraw/zinc/03/67/27/1010036727.db2.gz JRFJSELJYAZKDA-INIZCTEOSA-N 1 1 410.909 3.812 20 30 HHEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000550572749 1010036741 /nfs/dbraw/zinc/03/67/41/1010036741.db2.gz JRFJSELJYAZKDA-INIZCTEOSA-N 1 1 410.909 3.812 20 30 HHEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000544471227 1010095611 /nfs/dbraw/zinc/09/56/11/1010095611.db2.gz MFLYZGAHZPTXQK-NWDGAFQWSA-N 1 1 406.939 3.823 20 30 HHEDMO C[N@@H+](CCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Cc1ccccc1 ZINC000521089218 1010106109 /nfs/dbraw/zinc/10/61/09/1010106109.db2.gz DFXGUJVAALFLGL-UHFFFAOYSA-N 1 1 400.482 3.997 20 30 HHEDMO COc1ccccc1[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+](C)C ZINC000521106920 1010126685 /nfs/dbraw/zinc/12/66/85/1010126685.db2.gz VMXULMPKZZNSLD-OAQYLSRUSA-N 1 1 416.481 3.787 20 30 HHEDMO COc1ccccc1[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+](C)C ZINC000521106918 1010126712 /nfs/dbraw/zinc/12/67/12/1010126712.db2.gz VMXULMPKZZNSLD-NRFANRHFSA-N 1 1 416.481 3.787 20 30 HHEDMO CCC(CC)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C)[NH+]1CCOCC1 ZINC000521152818 1010180025 /nfs/dbraw/zinc/18/00/25/1010180025.db2.gz CBAHUYJTRAFCQP-QHCPKHFHSA-N 1 1 414.594 3.863 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000521739556 1010584690 /nfs/dbraw/zinc/58/46/90/1010584690.db2.gz HKUXNHCFXHHECW-HDICACEKSA-N 1 1 416.591 3.505 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000521853229 1010662077 /nfs/dbraw/zinc/66/20/77/1010662077.db2.gz NMVHOSSZARUYNR-NRFANRHFSA-N 1 1 413.562 3.741 20 30 HHEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CCCCOc3cccc(C#N)c3)c2)CCO1 ZINC000521960380 1010738492 /nfs/dbraw/zinc/73/84/92/1010738492.db2.gz RONBJDRUGOWENS-FQEVSTJZSA-N 1 1 421.541 3.644 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CCCCOc3cccc(C#N)c3)c2)CCO1 ZINC000521960380 1010738502 /nfs/dbraw/zinc/73/85/02/1010738502.db2.gz RONBJDRUGOWENS-FQEVSTJZSA-N 1 1 421.541 3.644 20 30 HHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548930469 1010766041 /nfs/dbraw/zinc/76/60/41/1010766041.db2.gz BXJSXKTYGGOAIT-RPWUZVMVSA-N 1 1 416.569 3.944 20 30 HHEDMO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548930469 1010766046 /nfs/dbraw/zinc/76/60/46/1010766046.db2.gz BXJSXKTYGGOAIT-RPWUZVMVSA-N 1 1 416.569 3.944 20 30 HHEDMO N#CCCN(C(=O)C[NH+]1CCC(c2nnc3ccccn32)CC1)c1cccc(Cl)c1 ZINC000522134281 1010828367 /nfs/dbraw/zinc/82/83/67/1010828367.db2.gz MTDSUGFGSFSJHH-UHFFFAOYSA-N 1 1 422.920 3.509 20 30 HHEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H](C)C1 ZINC000522365478 1010960468 /nfs/dbraw/zinc/96/04/68/1010960468.db2.gz XQZKUTXCMDRAMW-GCJKJVERSA-N 1 1 422.529 3.612 20 30 HHEDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000522648104 1011136325 /nfs/dbraw/zinc/13/63/25/1011136325.db2.gz WWKORDUQCUKDRE-QGZVFWFLSA-N 1 1 413.905 3.845 20 30 HHEDMO C[N@@H+](CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CCCC1 ZINC000522787698 1011221053 /nfs/dbraw/zinc/22/10/53/1011221053.db2.gz RVKLUQRDKRDDJA-UHFFFAOYSA-N 1 1 416.576 3.698 20 30 HHEDMO N#Cc1ccc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(F)c1 ZINC000540734689 1011385774 /nfs/dbraw/zinc/38/57/74/1011385774.db2.gz SDCXYJPAKQQGQS-IBGZPJMESA-N 1 1 405.395 3.997 20 30 HHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000523071718 1011541713 /nfs/dbraw/zinc/54/17/13/1011541713.db2.gz LOMOUEIPSUYPQP-KRWDZBQOSA-N 1 1 424.570 3.787 20 30 HHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000540866069 1011543316 /nfs/dbraw/zinc/54/33/16/1011543316.db2.gz YBSNCTAOPSWTEZ-KRWDZBQOSA-N 1 1 406.515 3.613 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1C ZINC000536344532 1011550668 /nfs/dbraw/zinc/55/06/68/1011550668.db2.gz OZFPNOQNJQETCP-UXHICEINSA-N 1 1 401.576 3.537 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1C ZINC000536344532 1011550679 /nfs/dbraw/zinc/55/06/79/1011550679.db2.gz OZFPNOQNJQETCP-UXHICEINSA-N 1 1 401.576 3.537 20 30 HHEDMO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000540947987 1011596594 /nfs/dbraw/zinc/59/65/94/1011596594.db2.gz YYFYJYYCMDZOFQ-XMSQKQJNSA-N 1 1 419.953 3.855 20 30 HHEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)cc1OC ZINC000523197132 1011685317 /nfs/dbraw/zinc/68/53/17/1011685317.db2.gz BSWKDLDYFYGOMU-QFIPXVFZSA-N 1 1 421.541 3.679 20 30 HHEDMO C[C@H](CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@@H+](C)Cc1ccccc1 ZINC000541101202 1011747895 /nfs/dbraw/zinc/74/78/95/1011747895.db2.gz MULNCPWPKANAPK-QGZVFWFLSA-N 1 1 420.492 3.915 20 30 HHEDMO Cc1ccnc(OC2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000541120695 1011775623 /nfs/dbraw/zinc/77/56/23/1011775623.db2.gz XEDCCHIWGKLJPI-GOSISDBHSA-N 1 1 410.493 3.708 20 30 HHEDMO C[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000523583838 1012133346 /nfs/dbraw/zinc/13/33/46/1012133346.db2.gz OOPFSYAITFHSHI-NWLLBJEDSA-N 1 1 403.526 3.811 20 30 HHEDMO C[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000523583838 1012133357 /nfs/dbraw/zinc/13/33/57/1012133357.db2.gz OOPFSYAITFHSHI-NWLLBJEDSA-N 1 1 403.526 3.811 20 30 HHEDMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1)CC(C)C ZINC000536900918 1012160246 /nfs/dbraw/zinc/16/02/46/1012160246.db2.gz LMXWBCJIXHAASI-UHFFFAOYSA-N 1 1 411.999 3.980 20 30 HHEDMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1[C@@H](C)C1CC1 ZINC000541460338 1012221963 /nfs/dbraw/zinc/22/19/63/1012221963.db2.gz PWXAHDDXBGDJFV-SFHVURJKSA-N 1 1 406.534 3.774 20 30 HHEDMO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1[C@@H](C)C1CC1 ZINC000541460338 1012221978 /nfs/dbraw/zinc/22/19/78/1012221978.db2.gz PWXAHDDXBGDJFV-SFHVURJKSA-N 1 1 406.534 3.774 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000541523281 1012305668 /nfs/dbraw/zinc/30/56/68/1012305668.db2.gz CIHMEDDDTRAZLY-LJQANCHMSA-N 1 1 421.541 3.865 20 30 HHEDMO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1c(C)noc1C ZINC000541649315 1012471251 /nfs/dbraw/zinc/47/12/51/1012471251.db2.gz QKIPGHBKSGUXRU-LJQANCHMSA-N 1 1 409.490 3.902 20 30 HHEDMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108449 1012479151 /nfs/dbraw/zinc/47/91/51/1012479151.db2.gz UHBAWZVQZCBOKJ-QZTJIDSGSA-N 1 1 423.536 3.517 20 30 HHEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](COCc2ccccc2)c2ccccc2)cc1 ZINC000537141614 1012532852 /nfs/dbraw/zinc/53/28/52/1012532852.db2.gz CWJXQQASNZRNCG-XMMPIXPASA-N 1 1 420.534 3.880 20 30 HHEDMO CCc1ccc([C@H]2CN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC[NH2+]2)cc1 ZINC000552590903 1012595619 /nfs/dbraw/zinc/59/56/19/1012595619.db2.gz ABHAHYKQWJGJIQ-HSZRJFAPSA-N 1 1 420.532 3.649 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@]2(C)CCCO)c1C#N ZINC000537411178 1012892801 /nfs/dbraw/zinc/89/28/01/1012892801.db2.gz KNTFSIMZCNVDKP-QHCPKHFHSA-N 1 1 412.534 3.574 20 30 HHEDMO C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@@H+]1CCc2sccc2C1 ZINC000542030836 1012927580 /nfs/dbraw/zinc/92/75/80/1012927580.db2.gz STOIELFEXBXBPG-CQSZACIVSA-N 1 1 424.505 3.513 20 30 HHEDMO C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@H+]1CCc2sccc2C1 ZINC000542030836 1012927596 /nfs/dbraw/zinc/92/75/96/1012927596.db2.gz STOIELFEXBXBPG-CQSZACIVSA-N 1 1 424.505 3.513 20 30 HHEDMO Cc1cc(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)nn1CCC#N ZINC000537512217 1013024823 /nfs/dbraw/zinc/02/48/23/1013024823.db2.gz BRAULCFWAXVQLW-UHFFFAOYSA-N 1 1 402.502 3.608 20 30 HHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cccc(N3CCOCC3)c2)no1 ZINC001211975885 1071829512 /nfs/dbraw/zinc/82/95/12/1071829512.db2.gz SANONSYQPBMOAV-SFTDATJTSA-N 1 1 414.550 3.651 20 30 HHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC001211975693 1071829682 /nfs/dbraw/zinc/82/96/82/1071829682.db2.gz NQOJXDQPGOZJLA-SJORKVTESA-N 1 1 419.522 3.841 20 30 HHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cncc(Br)c2)no1 ZINC001211975317 1071829131 /nfs/dbraw/zinc/82/91/31/1071829131.db2.gz CYRIAJOIOIODAV-HOTGVXAUSA-N 1 1 409.328 3.972 20 30 HHEDMO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCc2nc(C(C)(C)C)cs2)CC1=O ZINC000729693509 1071882904 /nfs/dbraw/zinc/88/29/04/1071882904.db2.gz BRTJLVLQGSADGE-UHFFFAOYSA-N 1 1 409.559 3.643 20 30 HHEDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000614922594 1071986660 /nfs/dbraw/zinc/98/66/60/1071986660.db2.gz YBSIRSMNMWYUIO-GOSISDBHSA-N 1 1 415.481 3.870 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000729812244 1072127213 /nfs/dbraw/zinc/12/72/13/1072127213.db2.gz POXUWRZNNKSMEV-FQEVSTJZSA-N 1 1 410.539 3.964 20 30 HHEDMO Cc1ccc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c(N2CCCC2)[nH+]1 ZINC000586805777 1072429272 /nfs/dbraw/zinc/42/92/72/1072429272.db2.gz AIEQZOQNGYQARI-UHFFFAOYSA-N 1 1 421.520 3.534 20 30 HHEDMO Cc1cc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)cc(F)c1F ZINC001143600219 1072437837 /nfs/dbraw/zinc/43/78/37/1072437837.db2.gz QIQIQXOYNALIEG-HSZRJFAPSA-N 1 1 412.484 3.659 20 30 HHEDMO CC[NH+]1CCN(c2ccc(-c3noc(Cc4c(F)cccc4C#N)n3)cc2F)CC1 ZINC000571033912 1072537324 /nfs/dbraw/zinc/53/73/24/1072537324.db2.gz DFXFTYITXPQGGK-UHFFFAOYSA-N 1 1 409.440 3.619 20 30 HHEDMO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571803702 1072858443 /nfs/dbraw/zinc/85/84/43/1072858443.db2.gz NEJUPIRNHSASBD-NZQKXSOJSA-N 1 1 411.590 3.608 20 30 HHEDMO CC1(C2CC2)CC[NH+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000554952992 1073000607 /nfs/dbraw/zinc/00/06/07/1073000607.db2.gz ORTPQKPDMBPZIQ-LJQANCHMSA-N 1 1 424.589 3.868 20 30 HHEDMO CC1(C2CC2)CC[NH+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000554952991 1073000686 /nfs/dbraw/zinc/00/06/86/1073000686.db2.gz ORTPQKPDMBPZIQ-IBGZPJMESA-N 1 1 424.589 3.868 20 30 HHEDMO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000588666764 1073083324 /nfs/dbraw/zinc/08/33/24/1073083324.db2.gz WVEGAVJSIGFICU-UKILVPOCSA-N 1 1 400.526 3.853 20 30 HHEDMO CCOc1ccc(C[NH+]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC)CC2)cc1 ZINC000572374637 1073258366 /nfs/dbraw/zinc/25/83/66/1073258366.db2.gz KOBQSXNRGYMJAK-UHFFFAOYSA-N 1 1 416.529 3.558 20 30 HHEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000555243551 1073286746 /nfs/dbraw/zinc/28/67/46/1073286746.db2.gz XMUYCWNHYROMPT-UHFFFAOYSA-N 1 1 421.545 3.563 20 30 HHEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000555265320 1073298633 /nfs/dbraw/zinc/29/86/33/1073298633.db2.gz HSPBBFUXTZOKCT-PZJWPPBQSA-N 1 1 401.599 3.839 20 30 HHEDMO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298464 1073318267 /nfs/dbraw/zinc/31/82/67/1073318267.db2.gz OAKGYSXBVZRWQC-DVECYGJZSA-N 1 1 420.532 3.567 20 30 HHEDMO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298464 1073318272 /nfs/dbraw/zinc/31/82/72/1073318272.db2.gz OAKGYSXBVZRWQC-DVECYGJZSA-N 1 1 420.532 3.567 20 30 HHEDMO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298464 1073318278 /nfs/dbraw/zinc/31/82/78/1073318278.db2.gz OAKGYSXBVZRWQC-DVECYGJZSA-N 1 1 420.532 3.567 20 30 HHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000555294438 1073326056 /nfs/dbraw/zinc/32/60/56/1073326056.db2.gz XJEJHXUMGGXLDA-HXUWFJFHSA-N 1 1 424.932 3.567 20 30 HHEDMO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000555343867 1073355469 /nfs/dbraw/zinc/35/54/69/1073355469.db2.gz DIGXMTDBFYZTME-IFMALSPDSA-N 1 1 404.562 3.926 20 30 HHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000589978992 1073456680 /nfs/dbraw/zinc/45/66/80/1073456680.db2.gz OCLBTRVVLAQTFU-FQEVSTJZSA-N 1 1 403.979 3.905 20 30 HHEDMO N#Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2n1 ZINC000590145512 1073585863 /nfs/dbraw/zinc/58/58/63/1073585863.db2.gz CHVUXQZALWDQFX-OAQYLSRUSA-N 1 1 412.537 3.869 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000555597027 1073662788 /nfs/dbraw/zinc/66/27/88/1073662788.db2.gz ADGDJXDKILBOHM-AOMKIAJQSA-N 1 1 400.592 3.633 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1C#N ZINC000555793000 1073835108 /nfs/dbraw/zinc/83/51/08/1073835108.db2.gz XTIMEXNGCGVWNV-OAQYLSRUSA-N 1 1 412.509 3.790 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCCO[C@@H](C(C)C)C2)c1C#N ZINC000555793000 1073835122 /nfs/dbraw/zinc/83/51/22/1073835122.db2.gz XTIMEXNGCGVWNV-OAQYLSRUSA-N 1 1 412.509 3.790 20 30 HHEDMO CC(C)[C@@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000590615036 1073942294 /nfs/dbraw/zinc/94/22/94/1073942294.db2.gz ICPPLBZBMHQIEL-RUZDIDTESA-N 1 1 422.548 3.719 20 30 HHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000573040056 1074070225 /nfs/dbraw/zinc/07/02/25/1074070225.db2.gz NRULGURFQLCEDD-LJQANCHMSA-N 1 1 406.530 3.632 20 30 HHEDMO C#CCNC(=O)C1CC[NH+]([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000760831140 1074316720 /nfs/dbraw/zinc/31/67/20/1074316720.db2.gz RFZPQZSMWMSXRU-GFCCVEGCSA-N 1 1 407.301 3.566 20 30 HHEDMO O=C(C[N@@H+]1CCCO[C@@H](c2ccccc2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000591812885 1074590814 /nfs/dbraw/zinc/59/08/14/1074590814.db2.gz CCRRGPIUMYEKSB-OAQYLSRUSA-N 1 1 416.443 3.637 20 30 HHEDMO O=C(C[N@H+]1CCCO[C@@H](c2ccccc2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000591812885 1074590820 /nfs/dbraw/zinc/59/08/20/1074590820.db2.gz CCRRGPIUMYEKSB-OAQYLSRUSA-N 1 1 416.443 3.637 20 30 HHEDMO C=CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213495 1075544490 /nfs/dbraw/zinc/54/44/90/1075544490.db2.gz RPQSRBXLUYVIFC-DVECYGJZSA-N 1 1 418.545 3.725 20 30 HHEDMO C=CC[N@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213495 1075544494 /nfs/dbraw/zinc/54/44/94/1075544494.db2.gz RPQSRBXLUYVIFC-DVECYGJZSA-N 1 1 418.545 3.725 20 30 HHEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(CC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213400 1075544924 /nfs/dbraw/zinc/54/49/24/1075544924.db2.gz KISSOSOXQURLDG-RBUKOAKNSA-N 1 1 418.545 3.651 20 30 HHEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(CC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213400 1075544928 /nfs/dbraw/zinc/54/49/28/1075544928.db2.gz KISSOSOXQURLDG-RBUKOAKNSA-N 1 1 418.545 3.651 20 30 HHEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(CC)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213398 1075544935 /nfs/dbraw/zinc/54/49/35/1075544935.db2.gz KISSOSOXQURLDG-MOPGFXCFSA-N 1 1 418.545 3.651 20 30 HHEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(CC)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213398 1075544938 /nfs/dbraw/zinc/54/49/38/1075544938.db2.gz KISSOSOXQURLDG-MOPGFXCFSA-N 1 1 418.545 3.651 20 30 HHEDMO CCOC(=O)c1cc(C)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1C#N ZINC001164629894 719068459 /nfs/dbraw/zinc/06/84/59/719068459.db2.gz ZVMSCCTXRZIVID-DENIHFKCSA-N 1 1 404.514 3.539 20 30 HHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(Cl)c1C#N)CC2 ZINC001164711155 720106691 /nfs/dbraw/zinc/10/66/91/720106691.db2.gz OTQHAVPZOMZYIT-SFHVURJKSA-N 1 1 411.937 3.509 20 30 HHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(Cl)c1C#N)C2 ZINC001164816034 720160598 /nfs/dbraw/zinc/16/05/98/720160598.db2.gz JWGHTPLAOIMSRF-UZUQRXQVSA-N 1 1 410.949 3.945 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)[C@@H]2C ZINC001164853970 720925049 /nfs/dbraw/zinc/92/50/49/720925049.db2.gz DGFGSVUWAGPUMB-CYBMUJFWSA-N 1 1 408.884 3.769 20 30 HHEDMO N#Cc1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164900445 721512880 /nfs/dbraw/zinc/51/28/80/721512880.db2.gz RCAKDBNRGFKALO-NVXWUHKLSA-N 1 1 422.838 3.633 20 30 HHEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898536 721517717 /nfs/dbraw/zinc/51/77/17/721517717.db2.gz ILGVWXNOEPKPKS-AEFFLSMTSA-N 1 1 423.879 3.636 20 30 HHEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898539 721518308 /nfs/dbraw/zinc/51/83/08/721518308.db2.gz ILGVWXNOEPKPKS-WMZOPIPTSA-N 1 1 423.879 3.636 20 30 HHEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900086 721526267 /nfs/dbraw/zinc/52/62/67/721526267.db2.gz NWYFKYGETNCZFI-HOCLYGCPSA-N 1 1 422.838 3.633 20 30 HHEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912401 721536424 /nfs/dbraw/zinc/53/64/24/721536424.db2.gz ZPKHVUKKDWNFAK-DOTOQJQBSA-N 1 1 422.838 3.633 20 30 HHEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905251 721536570 /nfs/dbraw/zinc/53/65/70/721536570.db2.gz HHETXDPSXCWHRT-WBVHZDCISA-N 1 1 422.838 3.633 20 30 HHEDMO N#Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164904031 721586325 /nfs/dbraw/zinc/58/63/25/721586325.db2.gz CPQQTDJPDLSBHX-IBGZPJMESA-N 1 1 403.864 3.739 20 30 HHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C#N)c(Cl)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810187 721587790 /nfs/dbraw/zinc/58/77/90/721587790.db2.gz VBTWIMHSEDFFNX-IPMKNSEASA-N 1 1 418.328 3.523 20 30 HHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(C#N)c(Cl)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810187 721587791 /nfs/dbraw/zinc/58/77/91/721587791.db2.gz VBTWIMHSEDFFNX-IPMKNSEASA-N 1 1 418.328 3.523 20 30 HHEDMO N#Cc1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906229 721691523 /nfs/dbraw/zinc/69/15/23/721691523.db2.gz MLKXZYOFFDFJPK-QFIPXVFZSA-N 1 1 420.467 3.634 20 30 HHEDMO N#Cc1cc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906275 721699367 /nfs/dbraw/zinc/69/93/67/721699367.db2.gz NBUZDPNOVGBPOI-IBGZPJMESA-N 1 1 403.864 3.739 20 30 HHEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(cc3C#N)CCCC4)C[C@H]21 ZINC001165027393 721823449 /nfs/dbraw/zinc/82/34/49/721823449.db2.gz SAFFLIJWYAJKCG-ZFJSRUIDSA-N 1 1 401.558 3.964 20 30 HHEDMO CSc1nc(Cl)c(C#N)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953692 722012316 /nfs/dbraw/zinc/01/23/16/722012316.db2.gz GAHAYSBUAQTWPY-UHFFFAOYSA-N 1 1 414.966 3.611 20 30 HHEDMO N#Cc1ccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(Br)c1 ZINC000301832037 971079637 /nfs/dbraw/zinc/07/96/37/971079637.db2.gz ITTJPTKERBSMQB-UHFFFAOYSA-N 1 1 413.319 3.836 20 30 HHEDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000302969054 971425486 /nfs/dbraw/zinc/42/54/86/971425486.db2.gz GDAPJMMVXVTYJZ-AWEZNQCLSA-N 1 1 419.934 3.637 20 30 HHEDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000302969054 971425493 /nfs/dbraw/zinc/42/54/93/971425493.db2.gz GDAPJMMVXVTYJZ-AWEZNQCLSA-N 1 1 419.934 3.637 20 30 HHEDMO CN(Cc1cccc(C#N)c1)C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000303101125 971503534 /nfs/dbraw/zinc/50/35/34/971503534.db2.gz HTAAVGDAIDSSMC-OAQYLSRUSA-N 1 1 401.432 3.971 20 30 HHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)o2)cc1 ZINC000537562667 1013097347 /nfs/dbraw/zinc/09/73/47/1013097347.db2.gz CRUIDPXTJAKGAL-LJQANCHMSA-N 1 1 411.469 3.773 20 30 HHEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)CC1 ZINC000303346221 971646401 /nfs/dbraw/zinc/64/64/01/971646401.db2.gz PYUMLPMZJDMEFF-QFIPXVFZSA-N 1 1 414.594 3.562 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000303565672 971859776 /nfs/dbraw/zinc/85/97/76/971859776.db2.gz INURLHVGXZQYLT-YMPZKCBVSA-N 1 1 416.606 3.750 20 30 HHEDMO CC(C)(CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000303695313 971968992 /nfs/dbraw/zinc/96/89/92/971968992.db2.gz NAAKCSXMKUYDQX-UHFFFAOYSA-N 1 1 408.521 3.892 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000537706755 1013272606 /nfs/dbraw/zinc/27/26/06/1013272606.db2.gz XWMMNBWGCVFINE-GOSISDBHSA-N 1 1 417.488 3.777 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000537706755 1013272621 /nfs/dbraw/zinc/27/26/21/1013272621.db2.gz XWMMNBWGCVFINE-GOSISDBHSA-N 1 1 417.488 3.777 20 30 HHEDMO CSc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000009852733 961693317 /nfs/dbraw/zinc/69/33/17/961693317.db2.gz NJYIEURNBCOXDL-UHFFFAOYSA-N 1 1 410.499 3.536 20 30 HHEDMO CSc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000009852733 961693323 /nfs/dbraw/zinc/69/33/23/961693323.db2.gz NJYIEURNBCOXDL-UHFFFAOYSA-N 1 1 410.499 3.536 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 ZINC000010762738 961906057 /nfs/dbraw/zinc/90/60/57/961906057.db2.gz SHPAZRFQJOYJCN-XNTDXEJSSA-N 1 1 415.946 3.720 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 ZINC000010762738 961906059 /nfs/dbraw/zinc/90/60/59/961906059.db2.gz SHPAZRFQJOYJCN-XNTDXEJSSA-N 1 1 415.946 3.720 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000542423405 1013375242 /nfs/dbraw/zinc/37/52/42/1013375242.db2.gz ZFVSLCBXKOMUTP-ICSRJNTNSA-N 1 1 414.550 3.702 20 30 HHEDMO COc1ccc([C@H](CNC(=O)CN2CC[NH+](C)CC2)c2c[nH]c3ccccc32)cc1 ZINC000022771660 963712256 /nfs/dbraw/zinc/71/22/56/963712256.db2.gz IZLZYIRKUINVIU-NRFANRHFSA-N 1 1 406.530 3.512 20 30 HHEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025038296 964150770 /nfs/dbraw/zinc/15/07/70/964150770.db2.gz HIVGDXLVMSWNRJ-LBPRGKRZSA-N 1 1 406.939 3.529 20 30 HHEDMO 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COc1ccc(C([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccc(OC)cc2)cc1 ZINC000029645013 965443731 /nfs/dbraw/zinc/44/37/31/965443731.db2.gz UHFCAKHEHKFTCU-UHFFFAOYSA-N 1 1 401.466 3.893 20 30 HHEDMO Cn1nc(CCC[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1-c1ccc(F)cc1 ZINC000054392929 965500986 /nfs/dbraw/zinc/50/09/86/965500986.db2.gz HMFLFRLHVGWIPY-UHFFFAOYSA-N 1 1 419.504 3.991 20 30 HHEDMO C[C@@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054454800 965524840 /nfs/dbraw/zinc/52/48/40/965524840.db2.gz ZXGSTPWXGHKZCL-GOSISDBHSA-N 1 1 410.949 3.597 20 30 HHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000029850676 965527064 /nfs/dbraw/zinc/52/70/64/965527064.db2.gz ILGAIYFMKHYXTI-INIZCTEOSA-N 1 1 416.447 3.722 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3nnc(-c4ccsc4)s3)CC2)cc1 ZINC000057788521 965547281 /nfs/dbraw/zinc/54/72/81/965547281.db2.gz RGKLHHIHZHSSTD-UHFFFAOYSA-N 1 1 424.555 3.878 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nnc(-c4ccsc4)s3)CC2)cc1 ZINC000057788521 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C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000062047679 966606955 /nfs/dbraw/zinc/60/69/55/966606955.db2.gz CSNKNNRSKWTZFA-MRXNPFEDSA-N 1 1 424.932 3.698 20 30 HHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000063750843 966946570 /nfs/dbraw/zinc/94/65/70/966946570.db2.gz JYVVWBKVBOLOLA-LJQANCHMSA-N 1 1 403.320 3.971 20 30 HHEDMO CC(C)Oc1ccc([C@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)[NH+](C)C)cc1 ZINC000553912395 1013696038 /nfs/dbraw/zinc/69/60/38/1013696038.db2.gz UEBHLNTWLWVEFZ-IBGZPJMESA-N 1 1 421.950 3.580 20 30 HHEDMO N#Cc1cccc(-n2ccc(C(=O)Nc3ccccc3C[NH+]3CCSCC3)n2)c1 ZINC000542863636 1013717990 /nfs/dbraw/zinc/71/79/90/1013717990.db2.gz NWNSQSQDMTXKLD-UHFFFAOYSA-N 1 1 403.511 3.545 20 30 HHEDMO Cc1cccc(CN2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000045705125 967537614 /nfs/dbraw/zinc/53/76/14/967537614.db2.gz ZHRAIPXRCJMFSO-UHFFFAOYSA-N 1 1 408.571 3.563 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)cc(Br)c3)CC2)cc1 ZINC000046784470 967964990 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C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110003318 969608241 /nfs/dbraw/zinc/60/82/41/969608241.db2.gz IDKGHTHBGSMGHG-YJBOKZPZSA-N 1 1 419.460 3.954 20 30 HHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110003318 969608245 /nfs/dbraw/zinc/60/82/45/969608245.db2.gz IDKGHTHBGSMGHG-YJBOKZPZSA-N 1 1 419.460 3.954 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000110988537 969755005 /nfs/dbraw/zinc/75/50/05/969755005.db2.gz MMAZZGBCUJTWGN-GOSISDBHSA-N 1 1 419.460 3.956 20 30 HHEDMO C#CC[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000111047615 969766793 /nfs/dbraw/zinc/76/67/93/969766793.db2.gz MZBXNCFUPGPCJD-GGAORHGYSA-N 1 1 401.535 3.971 20 30 HHEDMO C#CC[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000111047615 969766796 /nfs/dbraw/zinc/76/67/96/969766796.db2.gz MZBXNCFUPGPCJD-GGAORHGYSA-N 1 1 401.535 3.971 20 30 HHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000116676012 969913636 /nfs/dbraw/zinc/91/36/36/969913636.db2.gz XWKRSZVMVUHNRC-ZBFHGGJFSA-N 1 1 406.552 3.716 20 30 HHEDMO C[N@@H+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1 ZINC000195633019 969921384 /nfs/dbraw/zinc/92/13/84/969921384.db2.gz ZWPFQHQRZQDVKC-FQEVSTJZSA-N 1 1 401.432 3.755 20 30 HHEDMO C[N@H+]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1 ZINC000195633019 969921386 /nfs/dbraw/zinc/92/13/86/969921386.db2.gz ZWPFQHQRZQDVKC-FQEVSTJZSA-N 1 1 401.432 3.755 20 30 HHEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237268269 970251425 /nfs/dbraw/zinc/25/14/25/970251425.db2.gz PKCDBKGVKJILEV-HSZRJFAPSA-N 1 1 406.507 3.850 20 30 HHEDMO C=C(C)COc1cc(CNCc2ccccc2C[NH+]2CCC(O)CC2)ccc1OC ZINC000237437649 970288771 /nfs/dbraw/zinc/28/87/71/970288771.db2.gz HTVWFYVYMMLUTL-UHFFFAOYSA-N 1 1 410.558 3.897 20 30 HHEDMO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000237501462 970302656 /nfs/dbraw/zinc/30/26/56/970302656.db2.gz DRRRBJUANWJNNM-LJQANCHMSA-N 1 1 409.553 3.778 20 30 HHEDMO N#Cc1ccc2ncc(C[NH2+]Cc3cc(Br)ccc3OC(F)F)n2c1 ZINC000237801514 970370261 /nfs/dbraw/zinc/37/02/61/970370261.db2.gz NYRFBTLMYSMFBY-UHFFFAOYSA-N 1 1 407.218 3.860 20 30 HHEDMO N#CCc1cccc(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000195629821 970572255 /nfs/dbraw/zinc/57/22/55/970572255.db2.gz JRLFYQNMKHYWGQ-UHFFFAOYSA-N 1 1 410.521 3.805 20 30 HHEDMO CC[N@H+]1C[C@@H](C)N(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@H]1C ZINC000554738590 1014035206 /nfs/dbraw/zinc/03/52/06/1014035206.db2.gz PDZNRHIPAYOBKH-IAGOWNOFSA-N 1 1 402.970 3.759 20 30 HHEDMO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000304488840 972601532 /nfs/dbraw/zinc/60/15/32/972601532.db2.gz MTPVPOIRMOEJDQ-MRXNPFEDSA-N 1 1 412.481 3.888 20 30 HHEDMO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000305644319 972613301 /nfs/dbraw/zinc/61/33/01/972613301.db2.gz CBDJPBVBVNFDDL-XOBRGWDASA-N 1 1 420.916 3.916 20 30 HHEDMO CC[N@@H+](CCC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1)CC(C)C ZINC000409899364 973362311 /nfs/dbraw/zinc/36/23/11/973362311.db2.gz CXHMUWAAKLKQMB-UHFFFAOYSA-N 1 1 407.562 3.964 20 30 HHEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1Br ZINC000409972387 973441932 /nfs/dbraw/zinc/44/19/32/973441932.db2.gz UMMZBFOLYPPKRL-UHFFFAOYSA-N 1 1 424.302 3.820 20 30 HHEDMO CN1CC[N@@H+](CCCNC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000426130894 974252348 /nfs/dbraw/zinc/25/23/48/974252348.db2.gz MBWWMHPSFULJSZ-OAQYLSRUSA-N 1 1 411.937 3.712 20 30 HHEDMO C[N@@H+]1CCN(CCCNC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000426130894 974252355 /nfs/dbraw/zinc/25/23/55/974252355.db2.gz MBWWMHPSFULJSZ-OAQYLSRUSA-N 1 1 411.937 3.712 20 30 HHEDMO C[N@H+]1CCN(CCCNC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000426130894 974252359 /nfs/dbraw/zinc/25/23/59/974252359.db2.gz MBWWMHPSFULJSZ-OAQYLSRUSA-N 1 1 411.937 3.712 20 30 HHEDMO CN1CC[N@@H+](CCCNC(=O)Nc2ccc(C#N)cc2Cl)[C@H](c2ccccc2)C1 ZINC000426130892 974252724 /nfs/dbraw/zinc/25/27/24/974252724.db2.gz MBWWMHPSFULJSZ-NRFANRHFSA-N 1 1 411.937 3.712 20 30 HHEDMO C[N@@H+]1CCN(CCCNC(=O)Nc2ccc(C#N)cc2Cl)[C@H](c2ccccc2)C1 ZINC000426130892 974252730 /nfs/dbraw/zinc/25/27/30/974252730.db2.gz MBWWMHPSFULJSZ-NRFANRHFSA-N 1 1 411.937 3.712 20 30 HHEDMO C[N@H+]1CCN(CCCNC(=O)Nc2ccc(C#N)cc2Cl)[C@H](c2ccccc2)C1 ZINC000426130892 974252733 /nfs/dbraw/zinc/25/27/33/974252733.db2.gz MBWWMHPSFULJSZ-NRFANRHFSA-N 1 1 411.937 3.712 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000426788305 974660113 /nfs/dbraw/zinc/66/01/13/974660113.db2.gz LYXUUNTZEKFYQU-DNVCBOLYSA-N 1 1 405.926 3.589 20 30 HHEDMO N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)c2)c1 ZINC000427902143 975340663 /nfs/dbraw/zinc/34/06/63/975340663.db2.gz MWDQLOAYCLIWEO-HSZRJFAPSA-N 1 1 405.498 3.719 20 30 HHEDMO CCCn1cc(C[N@@H+]2CCCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)cn1 ZINC000428132273 975467213 /nfs/dbraw/zinc/46/72/13/975467213.db2.gz TVSFYFAHDFOYAI-UHFFFAOYSA-N 1 1 406.578 3.886 20 30 HHEDMO CCCn1cc(C[N@H+]2CCCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)cn1 ZINC000428132273 975467217 /nfs/dbraw/zinc/46/72/17/975467217.db2.gz TVSFYFAHDFOYAI-UHFFFAOYSA-N 1 1 406.578 3.886 20 30 HHEDMO C[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000428208241 975532623 /nfs/dbraw/zinc/53/26/23/975532623.db2.gz CSPIXYGGICMYMV-QGZVFWFLSA-N 1 1 419.554 3.702 20 30 HHEDMO C[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000428208241 975532632 /nfs/dbraw/zinc/53/26/32/975532632.db2.gz CSPIXYGGICMYMV-QGZVFWFLSA-N 1 1 419.554 3.702 20 30 HHEDMO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000428795336 976071731 /nfs/dbraw/zinc/07/17/31/976071731.db2.gz RAUKETFEELOVOC-CZUORRHYSA-N 1 1 419.312 3.591 20 30 HHEDMO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000428795336 976071743 /nfs/dbraw/zinc/07/17/43/976071743.db2.gz RAUKETFEELOVOC-CZUORRHYSA-N 1 1 419.312 3.591 20 30 HHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@@H](C)C1 ZINC000428988722 976270048 /nfs/dbraw/zinc/27/00/48/976270048.db2.gz CBMHHZOCSBJDHG-WOCWXWTJSA-N 1 1 414.619 3.735 20 30 HHEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429039336 976325013 /nfs/dbraw/zinc/32/50/13/976325013.db2.gz DLUITNYUUOFGRP-DEOSSOPVSA-N 1 1 423.557 3.684 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)c1ccccc1F ZINC000429253471 976542536 /nfs/dbraw/zinc/54/25/36/976542536.db2.gz IJRKWKUJQKEALH-UHFFFAOYSA-N 1 1 400.498 3.616 20 30 HHEDMO CCCn1ccnc1CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000429259419 976547720 /nfs/dbraw/zinc/54/77/20/976547720.db2.gz YAMYJSZHZSEULO-UHFFFAOYSA-N 1 1 413.591 3.998 20 30 HHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429388000 976661607 /nfs/dbraw/zinc/66/16/07/976661607.db2.gz MROADSVMSAKVIS-UHFFFAOYSA-N 1 1 405.542 3.925 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1C#N ZINC000429394717 976669535 /nfs/dbraw/zinc/66/95/35/976669535.db2.gz PBSURXAQBWQODU-SFHVURJKSA-N 1 1 419.573 3.711 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1Cl ZINC000429394536 976669644 /nfs/dbraw/zinc/66/96/44/976669644.db2.gz QBCOBICLPHRPJU-KRWDZBQOSA-N 1 1 402.970 3.701 20 30 HHEDMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000429395043 976669701 /nfs/dbraw/zinc/66/97/01/976669701.db2.gz AYFOSXMGVXPVHS-ZCYQVOJMSA-N 1 1 412.622 3.706 20 30 HHEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cn2c(n1)CCCC2 ZINC000429526730 976784502 /nfs/dbraw/zinc/78/45/02/976784502.db2.gz IIOYHTRBTXLULC-UHFFFAOYSA-N 1 1 411.575 3.882 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cn2c(n1)CCCC2 ZINC000429526730 976784513 /nfs/dbraw/zinc/78/45/13/976784513.db2.gz IIOYHTRBTXLULC-UHFFFAOYSA-N 1 1 411.575 3.882 20 30 HHEDMO N#CCSc1cccc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c1 ZINC000429814899 977089149 /nfs/dbraw/zinc/08/91/49/977089149.db2.gz XVQLGVFVRAJJGY-UHFFFAOYSA-N 1 1 420.538 3.841 20 30 HHEDMO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)o1 ZINC000429855395 977127961 /nfs/dbraw/zinc/12/79/61/977127961.db2.gz BYXWEJZXCPXKSR-UHFFFAOYSA-N 1 1 400.482 3.721 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430329310 977479883 /nfs/dbraw/zinc/47/98/83/977479883.db2.gz GVBVULSDDIZEFI-DOTOQJQBSA-N 1 1 410.905 3.524 20 30 HHEDMO COc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1OCCCC#N ZINC000430875974 977841611 /nfs/dbraw/zinc/84/16/11/977841611.db2.gz PLYRSTRPMZJQPT-FQEVSTJZSA-N 1 1 407.514 3.863 20 30 HHEDMO C=CCN1C(=O)N(Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000431036164 977969218 /nfs/dbraw/zinc/96/92/18/977969218.db2.gz VOPICUVPYZAHHQ-JOCHJYFZSA-N 1 1 418.472 3.881 20 30 HHEDMO C[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000431810901 978530905 /nfs/dbraw/zinc/53/09/05/978530905.db2.gz ICGFVKLHJDZAIT-ZJSXRUAMSA-N 1 1 419.573 3.931 20 30 HHEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431977749 978627674 /nfs/dbraw/zinc/62/76/74/978627674.db2.gz PMQZUIYWWJYXTJ-QPPBQGQZSA-N 1 1 419.573 3.931 20 30 HHEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000431982836 978630296 /nfs/dbraw/zinc/63/02/96/978630296.db2.gz SLAOJAVHUHZCKQ-FQEVSTJZSA-N 1 1 424.932 3.630 20 30 HHEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000431982836 978630298 /nfs/dbraw/zinc/63/02/98/978630298.db2.gz SLAOJAVHUHZCKQ-FQEVSTJZSA-N 1 1 424.932 3.630 20 30 HHEDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)C1 ZINC000432787753 978974306 /nfs/dbraw/zinc/97/43/06/978974306.db2.gz IBXLFOZEASQFHC-QHCPKHFHSA-N 1 1 408.477 3.836 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433067468 979057214 /nfs/dbraw/zinc/05/72/14/979057214.db2.gz NLMVXTMFTARGGS-OAQYLSRUSA-N 1 1 408.546 3.831 20 30 HHEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433067468 979057219 /nfs/dbraw/zinc/05/72/19/979057219.db2.gz NLMVXTMFTARGGS-OAQYLSRUSA-N 1 1 408.546 3.831 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](CCO)[C@H]2CCCSC2)c1C#N ZINC000433202259 979137989 /nfs/dbraw/zinc/13/79/89/979137989.db2.gz ZUEVKWHAFVENJO-IBGZPJMESA-N 1 1 418.607 3.610 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](CCO)[C@H]2CCCSC2)c1C#N ZINC000433202259 979137993 /nfs/dbraw/zinc/13/79/93/979137993.db2.gz ZUEVKWHAFVENJO-IBGZPJMESA-N 1 1 418.607 3.610 20 30 HHEDMO N#CCCn1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c(-c2ccncc2)n1 ZINC000433305257 979226155 /nfs/dbraw/zinc/22/61/55/979226155.db2.gz PFOYEUXPVCXMFI-UHFFFAOYSA-N 1 1 423.524 3.823 20 30 HHEDMO C[C@H]1C[N@@H+](CCCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CCCO1 ZINC000433386961 979268685 /nfs/dbraw/zinc/26/86/85/979268685.db2.gz FOSQDGSNSGLLTI-IBGZPJMESA-N 1 1 406.530 3.525 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000434227398 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415.497 3.967 20 30 HHEDMO C=CCC[C@@H](NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000434964304 980535861 /nfs/dbraw/zinc/53/58/61/980535861.db2.gz WGBPNQPTYGGTSN-HSZRJFAPSA-N 1 1 420.557 3.581 20 30 HHEDMO N#CCCn1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435132137 980663049 /nfs/dbraw/zinc/66/30/49/980663049.db2.gz IAAOYXPADIZMFW-OAQYLSRUSA-N 1 1 401.514 3.897 20 30 HHEDMO C=CCC[C@@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000435140540 980672145 /nfs/dbraw/zinc/67/21/45/980672145.db2.gz ITUUPTVJSUXYIG-FGZHOGPDSA-N 1 1 406.530 3.965 20 30 HHEDMO C=CCC[C@@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000435140540 980672152 /nfs/dbraw/zinc/67/21/52/980672152.db2.gz ITUUPTVJSUXYIG-FGZHOGPDSA-N 1 1 406.530 3.965 20 30 HHEDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000448256266 981657444 /nfs/dbraw/zinc/65/74/44/981657444.db2.gz NLVVRXHQZPKMMZ-UHFFFAOYSA-N 1 1 414.509 3.966 20 30 HHEDMO 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HHEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460955180 982688296 /nfs/dbraw/zinc/68/82/96/982688296.db2.gz BMKOTYADLMCFGE-SIKLNZKXSA-N 1 1 420.561 3.536 20 30 HHEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460959839 982691424 /nfs/dbraw/zinc/69/14/24/982691424.db2.gz PWIARTDFZLBVBQ-DENIHFKCSA-N 1 1 419.577 3.744 20 30 HHEDMO C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460963248 982693625 /nfs/dbraw/zinc/69/36/25/982693625.db2.gz YDCJFGYMOXYIMC-INIZCTEOSA-N 1 1 416.367 3.957 20 30 HHEDMO C=CCOc1ccc(CNC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461217308 982929372 /nfs/dbraw/zinc/92/93/72/982929372.db2.gz HGXUXCIUARIUNC-DHIUTWEWSA-N 1 1 405.542 3.915 20 30 HHEDMO N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000438614743 982938818 /nfs/dbraw/zinc/93/88/18/982938818.db2.gz QADAWQSGKVBXNP-HRTMPFAESA-N 1 1 422.504 3.563 20 30 HHEDMO N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000438614743 982938823 /nfs/dbraw/zinc/93/88/23/982938823.db2.gz QADAWQSGKVBXNP-HRTMPFAESA-N 1 1 422.504 3.563 20 30 HHEDMO CCC(CC)[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000438643117 982961448 /nfs/dbraw/zinc/96/14/48/982961448.db2.gz SGYMDQTXGCFKOM-SFHVURJKSA-N 1 1 412.456 3.836 20 30 HHEDMO CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000438661794 982980054 /nfs/dbraw/zinc/98/00/54/982980054.db2.gz AQRIZXGVRNWLII-QFBILLFUSA-N 1 1 424.932 3.834 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cccc(C#N)c1 ZINC000438858439 983124477 /nfs/dbraw/zinc/12/44/77/983124477.db2.gz OFORLWDKZNDVNT-FDDCHVKYSA-N 1 1 405.546 3.704 20 30 HHEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCc1cccc(C#N)c1 ZINC000438858439 983124480 /nfs/dbraw/zinc/12/44/80/983124480.db2.gz OFORLWDKZNDVNT-FDDCHVKYSA-N 1 1 405.546 3.704 20 30 HHEDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000438950189 983173469 /nfs/dbraw/zinc/17/34/69/983173469.db2.gz FYTCUZNLDJCVRT-UHFFFAOYSA-N 1 1 412.877 3.845 20 30 HHEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000439231428 983321001 /nfs/dbraw/zinc/32/10/01/983321001.db2.gz BDMBMZDWWOPENR-SFHVURJKSA-N 1 1 417.962 3.744 20 30 HHEDMO CSCCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000439485420 983426388 /nfs/dbraw/zinc/42/63/88/983426388.db2.gz SNHMYVFEXXIVEZ-UHFFFAOYSA-N 1 1 402.539 3.787 20 30 HHEDMO CSCCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000439485420 983426393 /nfs/dbraw/zinc/42/63/93/983426393.db2.gz SNHMYVFEXXIVEZ-UHFFFAOYSA-N 1 1 402.539 3.787 20 30 HHEDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000439882621 983568411 /nfs/dbraw/zinc/56/84/11/983568411.db2.gz KKMYHWXXZISAHM-UHFFFAOYSA-N 1 1 422.529 3.723 20 30 HHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000439979406 983603182 /nfs/dbraw/zinc/60/31/82/983603182.db2.gz LZFHULSAAXIMTH-HKKHYUGTSA-N 1 1 410.562 3.681 20 30 HHEDMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]2CCCC[C@H]12 ZINC000439979702 983603597 /nfs/dbraw/zinc/60/35/97/983603597.db2.gz MOYUVZABGIVWMC-BHEBFOIGSA-N 1 1 416.591 3.742 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000440515605 983782598 /nfs/dbraw/zinc/78/25/98/983782598.db2.gz PSNSZAPYWMGHHM-UNMCSNQZSA-N 1 1 424.541 3.575 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000440515605 983782602 /nfs/dbraw/zinc/78/26/02/983782602.db2.gz PSNSZAPYWMGHHM-UNMCSNQZSA-N 1 1 424.541 3.575 20 30 HHEDMO COc1cc(NC2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc(OC)c1 ZINC000440549655 983793129 /nfs/dbraw/zinc/79/31/29/983793129.db2.gz PFZRUEZPFIVXJF-UHFFFAOYSA-N 1 1 419.485 3.702 20 30 HHEDMO N#Cc1cnc2c(Br)cccc2c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000440662098 983843250 /nfs/dbraw/zinc/84/32/50/983843250.db2.gz KRVXKJOHUZITMO-UHFFFAOYSA-N 1 1 408.303 3.586 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CCc3ccccc3[C@@H]2CO)sc2c1CCCCC2 ZINC000440909877 983966527 /nfs/dbraw/zinc/96/65/27/983966527.db2.gz GSRYDCWSYPTXRE-FQEVSTJZSA-N 1 1 409.555 3.809 20 30 HHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440935358 983988380 /nfs/dbraw/zinc/98/83/80/983988380.db2.gz KTVSFZTYORBJNY-IBGZPJMESA-N 1 1 419.481 3.586 20 30 HHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440935358 983988394 /nfs/dbraw/zinc/98/83/94/983988394.db2.gz KTVSFZTYORBJNY-IBGZPJMESA-N 1 1 419.481 3.586 20 30 HHEDMO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)Cc2ccccc21 ZINC000441104015 984069829 /nfs/dbraw/zinc/06/98/29/984069829.db2.gz MMLKFYDOXDOUSC-IBGZPJMESA-N 1 1 411.889 3.703 20 30 HHEDMO C[N@H+](CCOc1ccc(Br)cc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441184694 984105614 /nfs/dbraw/zinc/10/56/14/984105614.db2.gz WQHPVYPNBFJWKE-UHFFFAOYSA-N 1 1 413.275 3.882 20 30 HHEDMO C[N@@H+](CCOc1ccc(Br)cc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441184694 984105618 /nfs/dbraw/zinc/10/56/18/984105618.db2.gz WQHPVYPNBFJWKE-UHFFFAOYSA-N 1 1 413.275 3.882 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000441195417 984109952 /nfs/dbraw/zinc/10/99/52/984109952.db2.gz HPOTXIATBREZRF-OPAMFIHVSA-N 1 1 423.561 3.643 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000441195417 984109957 /nfs/dbraw/zinc/10/99/57/984109957.db2.gz HPOTXIATBREZRF-OPAMFIHVSA-N 1 1 423.561 3.643 20 30 HHEDMO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441315926 984177117 /nfs/dbraw/zinc/17/71/17/984177117.db2.gz DCVDFDUBSCJLMJ-INIZCTEOSA-N 1 1 410.547 3.837 20 30 HHEDMO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441315926 984177122 /nfs/dbraw/zinc/17/71/22/984177122.db2.gz DCVDFDUBSCJLMJ-INIZCTEOSA-N 1 1 410.547 3.837 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441401832 984232732 /nfs/dbraw/zinc/23/27/32/984232732.db2.gz GRRFRIIINIQKER-LQWHRVPQSA-N 1 1 412.603 3.968 20 30 HHEDMO COc1cccc(C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C2CCC(O)CC2)c1 ZINC000441401434 984232760 /nfs/dbraw/zinc/23/27/60/984232760.db2.gz MXPJQUVTPDXSER-UHFFFAOYSA-N 1 1 418.497 3.923 20 30 HHEDMO COc1cccc(C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C2CCC(O)CC2)c1 ZINC000441401434 984232763 /nfs/dbraw/zinc/23/27/63/984232763.db2.gz MXPJQUVTPDXSER-UHFFFAOYSA-N 1 1 418.497 3.923 20 30 HHEDMO N#CCCN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000441411915 984238137 /nfs/dbraw/zinc/23/81/37/984238137.db2.gz OGNVIQPHJHKRPV-LAUBAEHRSA-N 1 1 400.954 3.535 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C[C@@H]1C ZINC000461675922 984693070 /nfs/dbraw/zinc/69/30/70/984693070.db2.gz ZYFYPYROJUTNSU-YUXAGFNASA-N 1 1 422.577 3.695 20 30 HHEDMO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[NH+](C)C ZINC000442208490 984728214 /nfs/dbraw/zinc/72/82/14/984728214.db2.gz MXCLQOJICIQSMR-MRXNPFEDSA-N 1 1 422.407 3.890 20 30 HHEDMO N#Cc1ccc(OC2CN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)cc1 ZINC000461728418 984743231 /nfs/dbraw/zinc/74/32/31/984743231.db2.gz OKQLLNGBLRVCSZ-LJQANCHMSA-N 1 1 404.514 3.655 20 30 HHEDMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCO1 ZINC000461843291 984852738 /nfs/dbraw/zinc/85/27/38/984852738.db2.gz SICOPPPYQRUBKB-QFIPXVFZSA-N 1 1 422.577 3.555 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000462090717 985061643 /nfs/dbraw/zinc/06/16/43/985061643.db2.gz XAKCWIAJQOSBFB-GOSISDBHSA-N 1 1 421.549 3.647 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000462190523 985172705 /nfs/dbraw/zinc/17/27/05/985172705.db2.gz LXHYKBOFEZWFQB-MBSDFSHPSA-N 1 1 412.493 3.996 20 30 HHEDMO COc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)ccc1C#N ZINC000442853688 985247120 /nfs/dbraw/zinc/24/71/20/985247120.db2.gz VDBWRUCZWVKQCF-FQEVSTJZSA-N 1 1 415.497 3.922 20 30 HHEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccco1 ZINC000443036198 985347196 /nfs/dbraw/zinc/34/71/96/985347196.db2.gz LQPIATLNFVMBMF-OAHLLOKOSA-N 1 1 415.437 3.531 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443136612 985399762 /nfs/dbraw/zinc/39/97/62/985399762.db2.gz XMOKUULDDPJOJR-AEFFLSMTSA-N 1 1 417.962 3.885 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1C#N ZINC000443343875 985508530 /nfs/dbraw/zinc/50/85/30/985508530.db2.gz KFPLQWOAYYTSIW-KLHJMIIUSA-N 1 1 400.567 3.902 20 30 HHEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1C#N ZINC000443343875 985508543 /nfs/dbraw/zinc/50/85/43/985508543.db2.gz KFPLQWOAYYTSIW-KLHJMIIUSA-N 1 1 400.567 3.902 20 30 HHEDMO C[C@@H](c1cccc(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c1)[NH+]1CCOCC1 ZINC000443444704 985607066 /nfs/dbraw/zinc/60/70/66/985607066.db2.gz IAZLEZVUPFIUIH-HNNXBMFYSA-N 1 1 403.442 4.151 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000462807408 985738460 /nfs/dbraw/zinc/73/84/60/985738460.db2.gz AYKMQOXFIHZJLH-QVKFZJNVSA-N 1 1 406.555 3.803 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000463203104 986174739 /nfs/dbraw/zinc/17/47/39/986174739.db2.gz JKADYILHQIIMJX-DNVJHFABSA-N 1 1 413.562 3.738 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1C ZINC000468479530 986175429 /nfs/dbraw/zinc/17/54/29/986175429.db2.gz OWPVAIZMPAPPIT-NRFANRHFSA-N 1 1 407.562 3.931 20 30 HHEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO ZINC000463362184 986328438 /nfs/dbraw/zinc/32/84/38/986328438.db2.gz SATYGWAHHJYYBU-CQSZACIVSA-N 1 1 419.319 3.941 20 30 HHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO ZINC000463362183 986328512 /nfs/dbraw/zinc/32/85/12/986328512.db2.gz SATYGWAHHJYYBU-AWEZNQCLSA-N 1 1 419.319 3.941 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@](CO)(Cc3ccccc3)C1)CCC2 ZINC000463457384 986437990 /nfs/dbraw/zinc/43/79/90/986437990.db2.gz VJHQBSKNPRSMPB-DEOSSOPVSA-N 1 1 423.582 3.754 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000463772825 986763655 /nfs/dbraw/zinc/76/36/55/986763655.db2.gz AZQBYISLSUVMSL-KRWDZBQOSA-N 1 1 400.544 3.964 20 30 HHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000469099786 986814718 /nfs/dbraw/zinc/81/47/18/986814718.db2.gz VPOXYJHCIQRVOF-AWEZNQCLSA-N 1 1 417.282 3.706 20 30 HHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000469099786 986814726 /nfs/dbraw/zinc/81/47/26/986814726.db2.gz VPOXYJHCIQRVOF-AWEZNQCLSA-N 1 1 417.282 3.706 20 30 HHEDMO CC(C)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCC1 ZINC000444771515 986931603 /nfs/dbraw/zinc/93/16/03/986931603.db2.gz PNSQLCHPKZYRMQ-LJQANCHMSA-N 1 1 412.578 3.867 20 30 HHEDMO C=CC[C@H]1[N@@H+](CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CCCC1(C)C ZINC000444774006 986932054 /nfs/dbraw/zinc/93/20/54/986932054.db2.gz HDWCYIQUCCFTTD-TZIWHRDSSA-N 1 1 403.611 3.550 20 30 HHEDMO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000444773284 986932583 /nfs/dbraw/zinc/93/25/83/986932583.db2.gz QXZVVJAJWHOPLH-UHFFFAOYSA-N 1 1 416.916 3.806 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444786116 986942818 /nfs/dbraw/zinc/94/28/18/986942818.db2.gz NDPNXBQCGYSELI-QGZVFWFLSA-N 1 1 423.582 3.753 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000444806738 986962780 /nfs/dbraw/zinc/96/27/80/986962780.db2.gz WZOUWWAEXWRFGO-SJORKVTESA-N 1 1 409.452 3.776 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000444806738 986962783 /nfs/dbraw/zinc/96/27/83/986962783.db2.gz WZOUWWAEXWRFGO-SJORKVTESA-N 1 1 409.452 3.776 20 30 HHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000444806738 986962786 /nfs/dbraw/zinc/96/27/86/986962786.db2.gz WZOUWWAEXWRFGO-SJORKVTESA-N 1 1 409.452 3.776 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C1 ZINC000469429445 987116383 /nfs/dbraw/zinc/11/63/83/987116383.db2.gz DHRISEGSVYHEJG-SIKLNZKXSA-N 1 1 410.562 3.812 20 30 HHEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000469584280 987249992 /nfs/dbraw/zinc/24/99/92/987249992.db2.gz FBNXCIBCKFWGQQ-KRWDZBQOSA-N 1 1 411.525 3.811 20 30 HHEDMO N#Cc1cccc(OCCCCC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000469861182 987498832 /nfs/dbraw/zinc/49/88/32/987498832.db2.gz WKFRDVNBCFYBPS-QFIPXVFZSA-N 1 1 423.582 3.841 20 30 HHEDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000470043985 987932330 /nfs/dbraw/zinc/93/23/30/987932330.db2.gz HBEMHCIBZVBOHB-MRXNPFEDSA-N 1 1 413.905 3.533 20 30 HHEDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000470051382 987941426 /nfs/dbraw/zinc/94/14/26/987941426.db2.gz REIYIAXVPDTTTF-INIZCTEOSA-N 1 1 413.905 3.533 20 30 HHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000470216314 988142132 /nfs/dbraw/zinc/14/21/32/988142132.db2.gz RBYAOWOHXXJXGS-NRFANRHFSA-N 1 1 403.526 3.941 20 30 HHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000470217417 988144320 /nfs/dbraw/zinc/14/43/20/988144320.db2.gz ZIBLBNZOPVSXTD-UEXGIBASSA-N 1 1 402.970 3.924 20 30 HHEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464135974 988256765 /nfs/dbraw/zinc/25/67/65/988256765.db2.gz KIQCILOXPRGXEJ-SFHVURJKSA-N 1 1 422.577 3.797 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000470553743 988568108 /nfs/dbraw/zinc/56/81/08/988568108.db2.gz QEVLRUBGVZKNNZ-RBZQAINGSA-N 1 1 403.526 3.576 20 30 HHEDMO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000470553743 988568112 /nfs/dbraw/zinc/56/81/12/988568112.db2.gz QEVLRUBGVZKNNZ-RBZQAINGSA-N 1 1 403.526 3.576 20 30 HHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000464773009 988997899 /nfs/dbraw/zinc/99/78/99/988997899.db2.gz KHVACMLIRCQUQD-QZTJIDSGSA-N 1 1 406.596 3.558 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000464825036 989063712 /nfs/dbraw/zinc/06/37/12/989063712.db2.gz WJJNVSBKAFDTBX-RBUKOAKNSA-N 1 1 406.442 3.665 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000464825036 989063718 /nfs/dbraw/zinc/06/37/18/989063718.db2.gz WJJNVSBKAFDTBX-RBUKOAKNSA-N 1 1 406.442 3.665 20 30 HHEDMO Cc1ccc([C@H]2CC[N@@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)c(C)c1 ZINC000471012621 989081824 /nfs/dbraw/zinc/08/18/24/989081824.db2.gz RJEISHRDROYLMO-RBBKRZOGSA-N 1 1 422.598 3.563 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000464842573 989089281 /nfs/dbraw/zinc/08/92/81/989089281.db2.gz JBZJCJCOZCANLZ-ZJSXRUAMSA-N 1 1 424.585 3.760 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)c(OC)c1 ZINC000464842573 989089289 /nfs/dbraw/zinc/08/92/89/989089289.db2.gz JBZJCJCOZCANLZ-ZJSXRUAMSA-N 1 1 424.585 3.760 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)c(OC)c1 ZINC000464842573 989089299 /nfs/dbraw/zinc/08/92/99/989089299.db2.gz JBZJCJCOZCANLZ-ZJSXRUAMSA-N 1 1 424.585 3.760 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1C#N ZINC000464846868 989097539 /nfs/dbraw/zinc/09/75/39/989097539.db2.gz BESPBGYDBUJCRA-UGKGYDQZSA-N 1 1 424.520 3.603 20 30 HHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000464854984 989107678 /nfs/dbraw/zinc/10/76/78/989107678.db2.gz HNHQUEBJJIFHNZ-KDURUIRLSA-N 1 1 407.514 3.888 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000471225738 989368898 /nfs/dbraw/zinc/36/88/98/989368898.db2.gz DXQZOTXSWQHOMR-HTAPYJJXSA-N 1 1 407.562 3.566 20 30 HHEDMO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC000465153288 989482944 /nfs/dbraw/zinc/48/29/44/989482944.db2.gz GBPACRIRWUMHEZ-KKSFZXQISA-N 1 1 405.502 3.661 20 30 HHEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000465158932 989489352 /nfs/dbraw/zinc/48/93/52/989489352.db2.gz YGOAUFQNNHWWIA-IBGZPJMESA-N 1 1 419.529 3.910 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465182811 989517862 /nfs/dbraw/zinc/51/78/62/989517862.db2.gz HQDLZXHXGHGGAO-SFHVURJKSA-N 1 1 423.561 3.706 20 30 HHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000465637964 990024671 /nfs/dbraw/zinc/02/46/71/990024671.db2.gz QTGDGGRBVFISEB-BJKOFHAPSA-N 1 1 418.541 3.500 20 30 HHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCCN(c4nc(C)ccc4C#N)C3)c2C1 ZINC000471889494 990063615 /nfs/dbraw/zinc/06/36/15/990063615.db2.gz WYPHSNLHSKXBOU-FQEVSTJZSA-N 1 1 403.530 3.842 20 30 HHEDMO CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCCN(c4nc(C)ccc4C#N)C3)c2C1 ZINC000471889494 990063622 /nfs/dbraw/zinc/06/36/22/990063622.db2.gz WYPHSNLHSKXBOU-FQEVSTJZSA-N 1 1 403.530 3.842 20 30 HHEDMO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)nn1CCC#N ZINC000471929155 990095917 /nfs/dbraw/zinc/09/59/17/990095917.db2.gz CRWWCLFNJAPSSW-UYAOXDASSA-N 1 1 416.476 3.729 20 30 HHEDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)nn1CCC#N ZINC000471929155 990095925 /nfs/dbraw/zinc/09/59/25/990095925.db2.gz CRWWCLFNJAPSSW-UYAOXDASSA-N 1 1 416.476 3.729 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1c1ccccc1 ZINC000471956794 990121553 /nfs/dbraw/zinc/12/15/53/990121553.db2.gz GDULFOCPFIJWEI-GHTZIAJQSA-N 1 1 420.904 3.964 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H]1c1ccccc1 ZINC000471957432 990122487 /nfs/dbraw/zinc/12/24/87/990122487.db2.gz VFLMFPKFEZXESX-RXVVDRJESA-N 1 1 420.904 3.964 20 30 HHEDMO CN(C)[C@@H](CNc1nc(NC[C@H](c2ccco2)[NH+](C)C)ccc1C#N)c1ccco1 ZINC000472040797 990211301 /nfs/dbraw/zinc/21/13/01/990211301.db2.gz AETYTWVUMVEWMR-MSOLQXFVSA-N 1 1 408.506 3.569 20 30 HHEDMO CC(C)[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000466593539 991909096 /nfs/dbraw/zinc/90/90/96/991909096.db2.gz QVRAXERODXOWIH-NRFANRHFSA-N 1 1 421.545 3.969 20 30 HHEDMO CN(C(=O)Nc1ncccc1OCCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466603117 991919471 /nfs/dbraw/zinc/91/94/71/991919471.db2.gz AJGPZQZMRHTEED-FQEVSTJZSA-N 1 1 407.518 3.892 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ncccc1OCCCC#N ZINC000466621670 991937629 /nfs/dbraw/zinc/93/76/29/991937629.db2.gz SUACFQYTYINCOA-RBUKOAKNSA-N 1 1 407.518 3.891 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCc1cccc(C#N)c1 ZINC000466808209 992117821 /nfs/dbraw/zinc/11/78/21/992117821.db2.gz XJZWWCKVHWKSLK-DVECYGJZSA-N 1 1 419.573 3.746 20 30 HHEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCc1cccc(C#N)c1 ZINC000466808209 992117829 /nfs/dbraw/zinc/11/78/29/992117829.db2.gz XJZWWCKVHWKSLK-DVECYGJZSA-N 1 1 419.573 3.746 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCc1cccc(C#N)c1 ZINC000466808210 992117924 /nfs/dbraw/zinc/11/79/24/992117924.db2.gz XJZWWCKVHWKSLK-NTKDMRAZSA-N 1 1 419.573 3.746 20 30 HHEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCc1cccc(C#N)c1 ZINC000466808210 992117932 /nfs/dbraw/zinc/11/79/32/992117932.db2.gz XJZWWCKVHWKSLK-NTKDMRAZSA-N 1 1 419.573 3.746 20 30 HHEDMO COC[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000467121248 992435319 /nfs/dbraw/zinc/43/53/19/992435319.db2.gz VXIOWJLBILHDLE-NRFANRHFSA-N 1 1 408.546 3.712 20 30 HHEDMO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2)c1 ZINC000467597263 992869101 /nfs/dbraw/zinc/86/91/01/992869101.db2.gz SUQCCSLQPJCFSB-PKTZIBPZSA-N 1 1 417.509 3.573 20 30 HHEDMO C=CCC(CC=C)C(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000467823399 993056573 /nfs/dbraw/zinc/05/65/73/993056573.db2.gz OIFVJKBOCFWZNX-UHFFFAOYSA-N 1 1 408.546 3.890 20 30 HHEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000472440167 993443514 /nfs/dbraw/zinc/44/35/14/993443514.db2.gz WNBGAOAHAVPQPP-OALUTQOASA-N 1 1 408.546 3.754 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)c1C#N ZINC000472609585 993560348 /nfs/dbraw/zinc/56/03/48/993560348.db2.gz HSIZQDADBPTIIG-HNNXBMFYSA-N 1 1 412.509 3.669 20 30 HHEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000480743030 993609558 /nfs/dbraw/zinc/60/95/58/993609558.db2.gz FQDNBYSWYVNMGE-PXNSSMCTSA-N 1 1 401.919 3.517 20 30 HHEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000472846671 993780951 /nfs/dbraw/zinc/78/09/51/993780951.db2.gz ILSZCHJXVRVZEU-UHFFFAOYSA-N 1 1 404.558 3.576 20 30 HHEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000472846671 993780961 /nfs/dbraw/zinc/78/09/61/993780961.db2.gz ILSZCHJXVRVZEU-UHFFFAOYSA-N 1 1 404.558 3.576 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)NCC[N@H+](C)C2CCCCC2)nnc1-c1ccco1 ZINC000481154980 993988313 /nfs/dbraw/zinc/98/83/13/993988313.db2.gz IQQHHCJNPJEIHB-UHFFFAOYSA-N 1 1 417.579 3.587 20 30 HHEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169845 994001432 /nfs/dbraw/zinc/00/14/32/994001432.db2.gz JDRRPDFRWUGIIY-JXALWOEJSA-N 1 1 422.548 3.961 20 30 HHEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169845 994001445 /nfs/dbraw/zinc/00/14/45/994001445.db2.gz JDRRPDFRWUGIIY-JXALWOEJSA-N 1 1 422.548 3.961 20 30 HHEDMO C=CCOc1ccc(C(=O)N[C@@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1OC ZINC000473198190 994061035 /nfs/dbraw/zinc/06/10/35/994061035.db2.gz PGEIXMKDECQIQI-URXFXBBRSA-N 1 1 424.541 3.669 20 30 HHEDMO C=CCOc1ccc(C(=O)N[C@@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1OC ZINC000473198190 994061043 /nfs/dbraw/zinc/06/10/43/994061043.db2.gz PGEIXMKDECQIQI-URXFXBBRSA-N 1 1 424.541 3.669 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c1C#N ZINC000481269815 994087473 /nfs/dbraw/zinc/08/74/73/994087473.db2.gz PMBHVRXXGXIAIF-LJQANCHMSA-N 1 1 406.490 3.507 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]2c2ncc[nH]2)c1C#N ZINC000481269815 994087487 /nfs/dbraw/zinc/08/74/87/994087487.db2.gz PMBHVRXXGXIAIF-LJQANCHMSA-N 1 1 406.490 3.507 20 30 HHEDMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000481440462 994275819 /nfs/dbraw/zinc/27/58/19/994275819.db2.gz TYMQDWOMRSXOND-JTSKRJEESA-N 1 1 405.477 3.574 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1C#N ZINC000481484607 994317205 /nfs/dbraw/zinc/31/72/05/994317205.db2.gz LDEFCFIJWSYWBW-LAUBAEHRSA-N 1 1 412.509 3.526 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C)c1ccc(F)c(F)c1 ZINC000481566832 994402488 /nfs/dbraw/zinc/40/24/88/994402488.db2.gz BHZXIQAVEYWKPG-HRAATJIYSA-N 1 1 415.484 3.932 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000481633864 994500188 /nfs/dbraw/zinc/50/01/88/994500188.db2.gz XUQDZBYWSSVEED-DJJJIMSYSA-N 1 1 408.470 3.602 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(CCOCc4ccccc4)CC3)CC2)cc1 ZINC000473628971 994509919 /nfs/dbraw/zinc/50/99/19/994509919.db2.gz HJVHALGVMSTSNI-UHFFFAOYSA-N 1 1 417.553 3.980 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(CCOCc4ccccc4)CC3)CC2)cc1 ZINC000473628971 994509926 /nfs/dbraw/zinc/50/99/26/994509926.db2.gz HJVHALGVMSTSNI-UHFFFAOYSA-N 1 1 417.553 3.980 20 30 HHEDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000481834092 994684190 /nfs/dbraw/zinc/68/41/90/994684190.db2.gz BIKZHWSCIUXIHL-LJQANCHMSA-N 1 1 414.347 3.890 20 30 HHEDMO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481891305 994760053 /nfs/dbraw/zinc/76/00/53/994760053.db2.gz JQUGBAWAAGVYQW-WWPVKYPJSA-N 1 1 403.526 3.839 20 30 HHEDMO COc1c(F)cc(F)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000473840334 994775543 /nfs/dbraw/zinc/77/55/43/994775543.db2.gz DXAYVFCLKCMAML-UHFFFAOYSA-N 1 1 400.429 3.585 20 30 HHEDMO COc1c(F)cc(F)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000473840334 994775555 /nfs/dbraw/zinc/77/55/55/994775555.db2.gz DXAYVFCLKCMAML-UHFFFAOYSA-N 1 1 400.429 3.585 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000473988204 994976109 /nfs/dbraw/zinc/97/61/09/994976109.db2.gz SFQNLMNGZDKXOF-NFBKMPQASA-N 1 1 409.530 3.646 20 30 HHEDMO Cc1oc(NC(=O)CN[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c(C#N)c1C ZINC000482136365 995086167 /nfs/dbraw/zinc/08/61/67/995086167.db2.gz PIABXQRIVXTNSQ-OAQYLSRUSA-N 1 1 408.546 3.769 20 30 HHEDMO Cc1oc(NC(=O)CN[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c(C#N)c1C ZINC000482136365 995086170 /nfs/dbraw/zinc/08/61/70/995086170.db2.gz PIABXQRIVXTNSQ-OAQYLSRUSA-N 1 1 408.546 3.769 20 30 HHEDMO Cc1oc(NC(=O)CN[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)c(C#N)c1C ZINC000482136364 995086289 /nfs/dbraw/zinc/08/62/89/995086289.db2.gz PIABXQRIVXTNSQ-NRFANRHFSA-N 1 1 408.546 3.769 20 30 HHEDMO Cc1oc(NC(=O)CN[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c(C#N)c1C ZINC000482136364 995086296 /nfs/dbraw/zinc/08/62/96/995086296.db2.gz PIABXQRIVXTNSQ-NRFANRHFSA-N 1 1 408.546 3.769 20 30 HHEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000474209993 995204821 /nfs/dbraw/zinc/20/48/21/995204821.db2.gz KOPCDCHPZFGGFC-QHCPKHFHSA-N 1 1 409.555 3.544 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000474231044 995226940 /nfs/dbraw/zinc/22/69/40/995226940.db2.gz LWZAANUXRPVDKF-HSZRJFAPSA-N 1 1 404.558 3.756 20 30 HHEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000474792244 995712735 /nfs/dbraw/zinc/71/27/35/995712735.db2.gz VBDCEBBUOXOQQQ-LJQANCHMSA-N 1 1 422.598 3.606 20 30 HHEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)C[C@H](CC#N)c3ccccc3)cc2)CC1 ZINC000474906361 995792335 /nfs/dbraw/zinc/79/23/35/995792335.db2.gz OHLWQWMEOOTIJU-DEOSSOPVSA-N 1 1 404.558 3.528 20 30 HHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000482968991 995889370 /nfs/dbraw/zinc/88/93/70/995889370.db2.gz ZPXAVEAZNJTLIF-YYHKSVKZSA-N 1 1 407.356 3.814 20 30 HHEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)CSc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000482999458 995910957 /nfs/dbraw/zinc/91/09/57/995910957.db2.gz YMQPIBUBKWAZER-ROUUACIJSA-N 1 1 409.555 3.576 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCC[C@@](C)(OC)CC2)cc1 ZINC000483035335 995933142 /nfs/dbraw/zinc/93/31/42/995933142.db2.gz JGLIVOXGOOMHFN-XMMPIXPASA-N 1 1 424.545 3.804 20 30 HHEDMO C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)C(=O)N(CCC#N)c1ccccc1 ZINC000483099954 995973464 /nfs/dbraw/zinc/97/34/64/995973464.db2.gz FWYQMXRJZPUTCL-YJBOKZPZSA-N 1 1 421.419 3.544 20 30 HHEDMO N#Cc1ccc(OCCNC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000475221098 996005561 /nfs/dbraw/zinc/00/55/61/996005561.db2.gz TUAPSIFPMRQZBJ-RUZDIDTESA-N 1 1 418.541 3.635 20 30 HHEDMO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000483178600 996021074 /nfs/dbraw/zinc/02/10/74/996021074.db2.gz MSBCXIWFWHEOGE-VJBMBRPKSA-N 1 1 405.542 3.762 20 30 HHEDMO COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000483179709 996021445 /nfs/dbraw/zinc/02/14/45/996021445.db2.gz CAVBUMMHBNCNCX-MHECFPHRSA-N 1 1 408.498 3.526 20 30 HHEDMO COc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000483179709 996021452 /nfs/dbraw/zinc/02/14/52/996021452.db2.gz CAVBUMMHBNCNCX-MHECFPHRSA-N 1 1 408.498 3.526 20 30 HHEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483257566 996065077 /nfs/dbraw/zinc/06/50/77/996065077.db2.gz VPMKYMIHKVYYIR-ZDUSSCGKSA-N 1 1 403.813 3.554 20 30 HHEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483257565 996065166 /nfs/dbraw/zinc/06/51/66/996065166.db2.gz VPMKYMIHKVYYIR-CYBMUJFWSA-N 1 1 403.813 3.554 20 30 HHEDMO Cn1cc(C[NH+]2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)cc1C#N ZINC000483270503 996072575 /nfs/dbraw/zinc/07/25/75/996072575.db2.gz VBSIUWGKCVNIRM-UHFFFAOYSA-N 1 1 404.489 3.937 20 30 HHEDMO C=C(C)[C@@H](NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000483315044 996093910 /nfs/dbraw/zinc/09/39/10/996093910.db2.gz NAXBLZMQTVCCDK-FYYLOGMGSA-N 1 1 415.484 3.518 20 30 HHEDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000475406852 996119686 /nfs/dbraw/zinc/11/96/86/996119686.db2.gz KVDLYEVTPGCBQW-LAUBAEHRSA-N 1 1 408.498 3.777 20 30 HHEDMO COc1ccccc1-c1nc(C2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)no1 ZINC000483426387 996171271 /nfs/dbraw/zinc/17/12/71/996171271.db2.gz CXUVWERFXWTVII-UHFFFAOYSA-N 1 1 414.469 3.644 20 30 HHEDMO 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BGQIPNAIMKFBBW-UHFFFAOYSA-N 1 1 409.534 3.863 20 30 HHEDMO C=CCOc1ccc(CNC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000508400912 1002889875 /nfs/dbraw/zinc/88/98/75/1002889875.db2.gz HWHOWHXFPCWANI-JOCHJYFZSA-N 1 1 408.546 3.843 20 30 HHEDMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000508452178 1002936820 /nfs/dbraw/zinc/93/68/20/1002936820.db2.gz DMKVJSZOCDIRID-INIZCTEOSA-N 1 1 406.921 3.890 20 30 HHEDMO C=CCn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000508480004 1002964347 /nfs/dbraw/zinc/96/43/47/1002964347.db2.gz CMSGDECNDOFGEC-GOSISDBHSA-N 1 1 422.964 3.987 20 30 HHEDMO N#CC1(CCC[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CCOCC1 ZINC000499620454 1002989626 /nfs/dbraw/zinc/98/96/26/1002989626.db2.gz SUBDLCGHCXDPPS-HXUWFJFHSA-N 1 1 421.545 3.942 20 30 HHEDMO Cc1cccc(-c2n[nH]cc2C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000508618863 1003072741 /nfs/dbraw/zinc/07/27/41/1003072741.db2.gz LFUIOWDMMHJVFI-UHFFFAOYSA-N 1 1 414.469 3.827 20 30 HHEDMO Cc1ccc(NC(=O)Cc2c(F)cccc2C#N)cc1NC(=O)C[NH+]1CCCCC1 ZINC000508690185 1003127681 /nfs/dbraw/zinc/12/76/81/1003127681.db2.gz PXNBZLAVUUGKNY-UHFFFAOYSA-N 1 1 408.477 3.611 20 30 HHEDMO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508791365 1003219860 /nfs/dbraw/zinc/21/98/60/1003219860.db2.gz APGPSEYACYNKHD-LAUBAEHRSA-N 1 1 423.561 3.601 20 30 HHEDMO CCC[C@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[N@H+]1CCOC ZINC000499890823 1003225610 /nfs/dbraw/zinc/22/56/10/1003225610.db2.gz AKJZHTQKBLCKGJ-ROUUACIJSA-N 1 1 404.580 3.903 20 30 HHEDMO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508807988 1003234869 /nfs/dbraw/zinc/23/48/69/1003234869.db2.gz FUMHRRRFHKYYKB-UNMCSNQZSA-N 1 1 407.562 3.634 20 30 HHEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508816467 1003241377 /nfs/dbraw/zinc/24/13/77/1003241377.db2.gz ITZJOAJKUUJDKK-JOCHJYFZSA-N 1 1 412.541 3.961 20 30 HHEDMO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 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/nfs/dbraw/zinc/35/28/26/1003352826.db2.gz PIJDEUFFLBTZFZ-GHTZIAJQSA-N 1 1 413.566 3.779 20 30 HHEDMO C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508935700 1003381524 /nfs/dbraw/zinc/38/15/24/1003381524.db2.gz OLIYKPFPTSFIMR-YLJYHZDGSA-N 1 1 423.561 3.601 20 30 HHEDMO C=CCn1c(CCc2ccco2)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508951713 1003407685 /nfs/dbraw/zinc/40/76/85/1003407685.db2.gz NMSMHVIXKUMISP-NRFANRHFSA-N 1 1 405.546 3.801 20 30 HHEDMO C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000509010741 1003481417 /nfs/dbraw/zinc/48/14/17/1003481417.db2.gz KPHGALUFAXFOFJ-WMZOPIPTSA-N 1 1 401.942 3.505 20 30 HHEDMO O=C(NCC#Cc1cccc(F)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000512189132 1004090574 /nfs/dbraw/zinc/09/05/74/1004090574.db2.gz HTKSJBYQFLAVFL-ISKFKSNPSA-N 1 1 405.517 3.873 20 30 HHEDMO O=C(NCC#Cc1cccc(F)c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000512196130 1004097429 /nfs/dbraw/zinc/09/74/29/1004097429.db2.gz MAPZPIRUJOJGMX-VWLOTQADSA-N 1 1 405.517 3.875 20 30 HHEDMO CCCN(C(=O)[C@@H](C)Oc1ccccc1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000509811135 1004116114 /nfs/dbraw/zinc/11/61/14/1004116114.db2.gz UPXUMOQABWEEDM-GOSISDBHSA-N 1 1 421.545 3.640 20 30 HHEDMO C[N@H+]1CCCC[C@H]1CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501065952 1004168556 /nfs/dbraw/zinc/16/85/56/1004168556.db2.gz BLGHQTPLBBEIDV-PMACEKPBSA-N 1 1 405.384 3.506 20 30 HHEDMO C=CCn1c(Cc2ccccc2)nnc1SC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000512504324 1004347362 /nfs/dbraw/zinc/34/73/62/1004347362.db2.gz QHDCFHHTXZMWDM-JOCHJYFZSA-N 1 1 420.582 3.566 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000512542672 1004372597 /nfs/dbraw/zinc/37/25/97/1004372597.db2.gz SVCNPYQMZWXSEN-XLIONFOSSA-N 1 1 411.468 3.718 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000512542672 1004372607 /nfs/dbraw/zinc/37/26/07/1004372607.db2.gz SVCNPYQMZWXSEN-XLIONFOSSA-N 1 1 411.468 3.718 20 30 HHEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000510240735 1004418336 /nfs/dbraw/zinc/41/83/36/1004418336.db2.gz HQYMJTUSOWGWGU-UHFFFAOYSA-N 1 1 420.561 3.675 20 30 HHEDMO N#Cc1ccc(OC2CC[NH+]([C@H]3CCCN(c4cccc(F)c4)C3=O)CC2)c(F)c1 ZINC000512800671 1004565919 /nfs/dbraw/zinc/56/59/19/1004565919.db2.gz GBJCSERKFAVHMJ-NRFANRHFSA-N 1 1 411.452 3.875 20 30 HHEDMO C[C@H](CNC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000512800758 1004566333 /nfs/dbraw/zinc/56/63/33/1004566333.db2.gz HKTRKKFODJMTBS-MSOLQXFVSA-N 1 1 409.505 3.849 20 30 HHEDMO C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512800914 1004566664 /nfs/dbraw/zinc/56/66/64/1004566664.db2.gz IKAGYOWBNPVICC-QGZVFWFLSA-N 1 1 407.489 3.514 20 30 HHEDMO C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806402 1004570261 /nfs/dbraw/zinc/57/02/61/1004570261.db2.gz VETXAWZKMNIAIP-HNNXBMFYSA-N 1 1 413.518 3.575 20 30 HHEDMO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512828864 1004587163 /nfs/dbraw/zinc/58/71/63/1004587163.db2.gz RZUJHSXQPPOOHK-QGZVFWFLSA-N 1 1 407.489 3.908 20 30 HHEDMO N#Cc1ccc(OC2CC[NH+](CC(=O)N[C@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000512831345 1004589683 /nfs/dbraw/zinc/58/96/83/1004589683.db2.gz CCGDVOLCRCGQHS-QFIPXVFZSA-N 1 1 407.489 3.734 20 30 HHEDMO N#Cc1cccc(CNC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000510551100 1004687184 /nfs/dbraw/zinc/68/71/84/1004687184.db2.gz QUUHRTJZCGYAFG-UHFFFAOYSA-N 1 1 415.497 3.677 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1C ZINC000501836561 1004767642 /nfs/dbraw/zinc/76/76/42/1004767642.db2.gz KTAVZHQMZZETMI-UHFFFAOYSA-N 1 1 422.548 3.897 20 30 HHEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)CCCC(=O)NC)sc2C1 ZINC000510748374 1004831299 /nfs/dbraw/zinc/83/12/99/1004831299.db2.gz IDPWEFHAAGYIMB-HNNXBMFYSA-N 1 1 418.607 3.557 20 30 HHEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)CCCC(=O)NC)sc2C1 ZINC000510748374 1004831303 /nfs/dbraw/zinc/83/13/03/1004831303.db2.gz IDPWEFHAAGYIMB-HNNXBMFYSA-N 1 1 418.607 3.557 20 30 HHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000510762059 1004837462 /nfs/dbraw/zinc/83/74/62/1004837462.db2.gz GZPAZJRVTRZOPO-ZNMIVQPWSA-N 1 1 412.456 3.987 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCOc3cc(O)ccc3C2)sc2c1CCCCC2 ZINC000513174082 1004845072 /nfs/dbraw/zinc/84/50/72/1004845072.db2.gz OJCRTMTVTMMUGQ-UHFFFAOYSA-N 1 1 411.527 3.817 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CCOc3cc(O)ccc3C2)sc2c1CCCCC2 ZINC000513174082 1004845080 /nfs/dbraw/zinc/84/50/80/1004845080.db2.gz OJCRTMTVTMMUGQ-UHFFFAOYSA-N 1 1 411.527 3.817 20 30 HHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000513241051 1004876834 /nfs/dbraw/zinc/87/68/34/1004876834.db2.gz GLGVQNSIJBEWKD-GIVPXCGWSA-N 1 1 408.571 3.540 20 30 HHEDMO C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000510872138 1004903525 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FDSMVQLRHJIFJN-HKUYNNGSSA-N 1 1 415.582 3.531 20 30 HHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502329595 1005015028 /nfs/dbraw/zinc/01/50/28/1005015028.db2.gz FDSMVQLRHJIFJN-HKUYNNGSSA-N 1 1 415.582 3.531 20 30 HHEDMO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)nn1-c1cccc(C#N)c1 ZINC000502531333 1005105229 /nfs/dbraw/zinc/10/52/29/1005105229.db2.gz POHCFEBHVJSMRX-NRFANRHFSA-N 1 1 403.486 3.602 20 30 HHEDMO C[C@@H]1CCC[C@H]([N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000513959647 1005203272 /nfs/dbraw/zinc/20/32/72/1005203272.db2.gz QUPXAWFSTHKLNF-ODNSNXTGSA-N 1 1 411.546 3.850 20 30 HHEDMO CO[C@H](C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 ZINC000514091919 1005261548 /nfs/dbraw/zinc/26/15/48/1005261548.db2.gz ZMIGRHYWEBGHOS-LJQANCHMSA-N 1 1 412.877 3.969 20 30 HHEDMO CO[C@@H](C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(Cl)cc1 ZINC000514091918 1005261668 /nfs/dbraw/zinc/26/16/68/1005261668.db2.gz ZMIGRHYWEBGHOS-IBGZPJMESA-N 1 1 412.877 3.969 20 30 HHEDMO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000502943256 1005286013 /nfs/dbraw/zinc/28/60/13/1005286013.db2.gz ZKPKXTMCNZXNFG-UHFFFAOYSA-N 1 1 414.444 3.616 20 30 HHEDMO C[C@H]1C[C@@H](CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[N@H+]1Cc1ccccc1 ZINC000511745774 1005304709 /nfs/dbraw/zinc/30/47/09/1005304709.db2.gz OKOPMLWUIXJPLN-QFBILLFUSA-N 1 1 424.932 3.567 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)C2=O)cc1 ZINC000511776443 1005321129 /nfs/dbraw/zinc/32/11/29/1005321129.db2.gz KIJZNSLTZCOMDJ-YCAMKHIRSA-N 1 1 401.510 3.558 20 30 HHEDMO Cc1nccn1CCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000503048899 1005327607 /nfs/dbraw/zinc/32/76/07/1005327607.db2.gz QQVXJPHLSUUABY-UHFFFAOYSA-N 1 1 422.508 3.570 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511805266 1005337286 /nfs/dbraw/zinc/33/72/86/1005337286.db2.gz GHSDQYXOVOSCRK-HSZRJFAPSA-N 1 1 421.589 3.763 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](c3ncc4n3CCCC4)C1)CCC2 ZINC000503379200 1005402839 /nfs/dbraw/zinc/40/28/39/1005402839.db2.gz RWOQYWSUNDQYLW-MRXNPFEDSA-N 1 1 423.586 3.849 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000503885597 1005504749 /nfs/dbraw/zinc/50/47/49/1005504749.db2.gz OQAZWUVEVDLFKF-INIZCTEOSA-N 1 1 409.983 3.877 20 30 HHEDMO COc1ccccc1[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000504078222 1005547843 /nfs/dbraw/zinc/54/78/43/1005547843.db2.gz BZHRGGVQMLQHKR-JOCHJYFZSA-N 1 1 404.514 3.668 20 30 HHEDMO C=CC[N@H+](CCCc1nc(-c2ccccc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000531346133 1006138288 /nfs/dbraw/zinc/13/82/88/1006138288.db2.gz SEDYZJSFMYYCSD-SFHVURJKSA-N 1 1 415.501 3.894 20 30 HHEDMO Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000514828488 1006158157 /nfs/dbraw/zinc/15/81/57/1006158157.db2.gz LCDMVLQUVXELFP-UHFFFAOYSA-N 1 1 409.490 3.686 20 30 HHEDMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000514924803 1006206612 /nfs/dbraw/zinc/20/66/12/1006206612.db2.gz DIVOAJSQBLRRJX-ABYRGBDGSA-N 1 1 420.601 3.539 20 30 HHEDMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000514924803 1006206627 /nfs/dbraw/zinc/20/66/27/1006206627.db2.gz DIVOAJSQBLRRJX-ABYRGBDGSA-N 1 1 420.601 3.539 20 30 HHEDMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000514924803 1006206638 /nfs/dbraw/zinc/20/66/38/1006206638.db2.gz DIVOAJSQBLRRJX-ABYRGBDGSA-N 1 1 420.601 3.539 20 30 HHEDMO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000515020050 1006255004 /nfs/dbraw/zinc/25/50/04/1006255004.db2.gz MOGMJTORTJXZHM-RTWAWAEBSA-N 1 1 404.514 3.943 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C3CCOCC3)C2)sc2c1CCCCC2 ZINC000534381420 1006352243 /nfs/dbraw/zinc/35/22/43/1006352243.db2.gz XECGIHQPHXGQLE-QGZVFWFLSA-N 1 1 401.576 3.966 20 30 HHEDMO C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000534384201 1006355943 /nfs/dbraw/zinc/35/59/43/1006355943.db2.gz KWLQHHQDYULJNK-TZYHBYERSA-N 1 1 411.594 3.598 20 30 HHEDMO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356264 1006414880 /nfs/dbraw/zinc/41/48/80/1006414880.db2.gz HLOFLPBQKSAEHB-SFTDATJTSA-N 1 1 418.585 3.894 20 30 HHEDMO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356264 1006414883 /nfs/dbraw/zinc/41/48/83/1006414883.db2.gz HLOFLPBQKSAEHB-SFTDATJTSA-N 1 1 418.585 3.894 20 30 HHEDMO CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356264 1006414892 /nfs/dbraw/zinc/41/48/92/1006414892.db2.gz HLOFLPBQKSAEHB-SFTDATJTSA-N 1 1 418.585 3.894 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)c1C#N ZINC000515396490 1006436680 /nfs/dbraw/zinc/43/66/80/1006436680.db2.gz OJSXTCCCEJYLPK-OAQYLSRUSA-N 1 1 424.451 3.506 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531869348 1006489618 /nfs/dbraw/zinc/48/96/18/1006489618.db2.gz FXTHMVBMSUFXAH-ZWKOTPCHSA-N 1 1 417.525 3.905 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531869348 1006489621 /nfs/dbraw/zinc/48/96/21/1006489621.db2.gz FXTHMVBMSUFXAH-ZWKOTPCHSA-N 1 1 417.525 3.905 20 30 HHEDMO CC(C)OCc1ccccc1CNC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000531899576 1006506591 /nfs/dbraw/zinc/50/65/91/1006506591.db2.gz SOMUPDDHLVGIJF-UHFFFAOYSA-N 1 1 421.541 3.643 20 30 HHEDMO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccc(Cl)cc1 ZINC000538349973 1006616916 /nfs/dbraw/zinc/61/69/16/1006616916.db2.gz ZCNBYRASJLFRNL-LJQANCHMSA-N 1 1 416.978 3.632 20 30 HHEDMO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccc(Cl)cc1 ZINC000538349973 1006616927 /nfs/dbraw/zinc/61/69/27/1006616927.db2.gz ZCNBYRASJLFRNL-LJQANCHMSA-N 1 1 416.978 3.632 20 30 HHEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000538360052 1006629646 /nfs/dbraw/zinc/62/96/46/1006629646.db2.gz MQDNXFJNDKITRZ-GOTSBHOMSA-N 1 1 424.495 3.511 20 30 HHEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000538360052 1006629653 /nfs/dbraw/zinc/62/96/53/1006629653.db2.gz MQDNXFJNDKITRZ-GOTSBHOMSA-N 1 1 424.495 3.511 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532179577 1006700399 /nfs/dbraw/zinc/70/03/99/1006700399.db2.gz LHJIYUSFRNIENX-ZIFCJYIRSA-N 1 1 402.564 3.703 20 30 HHEDMO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000532523779 1006960849 /nfs/dbraw/zinc/96/08/49/1006960849.db2.gz NGMXOOIHYDTPEQ-NRFANRHFSA-N 1 1 407.514 3.636 20 30 HHEDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000532523779 1006960853 /nfs/dbraw/zinc/96/08/53/1006960853.db2.gz NGMXOOIHYDTPEQ-NRFANRHFSA-N 1 1 407.514 3.636 20 30 HHEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+](C1CC1)C1CCCC1)CCCC2 ZINC000532563307 1006994836 /nfs/dbraw/zinc/99/48/36/1006994836.db2.gz XQCFAHQDEYUAFC-LJQANCHMSA-N 1 1 410.562 3.763 20 30 HHEDMO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534956277 1006999974 /nfs/dbraw/zinc/99/99/74/1006999974.db2.gz GMGDNICHWQAFQG-FQEVSTJZSA-N 1 1 403.526 3.840 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1C#N ZINC000532570804 1007003087 /nfs/dbraw/zinc/00/30/87/1007003087.db2.gz HGALDBATLTWWJW-QGZVFWFLSA-N 1 1 408.546 3.913 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c1C#N ZINC000532570804 1007003100 /nfs/dbraw/zinc/00/31/00/1007003100.db2.gz HGALDBATLTWWJW-QGZVFWFLSA-N 1 1 408.546 3.913 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000516305819 1007006305 /nfs/dbraw/zinc/00/63/05/1007006305.db2.gz YHBYRMJFHMRMET-IBGZPJMESA-N 1 1 421.541 3.881 20 30 HHEDMO CCc1ccc(C[NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)s1 ZINC000532581207 1007015384 /nfs/dbraw/zinc/01/53/84/1007015384.db2.gz VSIBERZZIZHOLL-UHFFFAOYSA-N 1 1 402.951 3.592 20 30 HHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000538788665 1007071832 /nfs/dbraw/zinc/07/18/32/1007071832.db2.gz ULRLLVMVKZFIIX-SFHVURJKSA-N 1 1 401.551 3.847 20 30 HHEDMO N#Cc1cccc(NC(=O)C2CC[NH+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)c1 ZINC000532670854 1007086305 /nfs/dbraw/zinc/08/63/05/1007086305.db2.gz HWPACHUIPCSFLB-OAQYLSRUSA-N 1 1 422.916 3.668 20 30 HHEDMO C[NH+]1CCN(C(=O)Cc2ccc(NC3CCC(C#N)(c4ccccc4)CC3)cc2)CC1 ZINC000538822692 1007096203 /nfs/dbraw/zinc/09/62/03/1007096203.db2.gz BUAHTLCCJFUIBC-UHFFFAOYSA-N 1 1 416.569 3.819 20 30 HHEDMO C[N@@H+](CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)Cc1ccccc1 ZINC000516622261 1007199302 /nfs/dbraw/zinc/19/93/02/1007199302.db2.gz JGLZICRDJRGRRV-UHFFFAOYSA-N 1 1 405.527 3.859 20 30 HHEDMO C[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC12CCC2 ZINC000538943601 1007227233 /nfs/dbraw/zinc/22/72/33/1007227233.db2.gz KBHHMICUDUBCAL-RBUKOAKNSA-N 1 1 424.589 3.868 20 30 HHEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC12CCC2 ZINC000538943601 1007227245 /nfs/dbraw/zinc/22/72/45/1007227245.db2.gz KBHHMICUDUBCAL-RBUKOAKNSA-N 1 1 424.589 3.868 20 30 HHEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000538965882 1007255758 /nfs/dbraw/zinc/25/57/58/1007255758.db2.gz YGSPXNSLZRHFKY-KRWDZBQOSA-N 1 1 414.941 3.639 20 30 HHEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000538965882 1007255768 /nfs/dbraw/zinc/25/57/68/1007255768.db2.gz YGSPXNSLZRHFKY-KRWDZBQOSA-N 1 1 414.941 3.639 20 30 HHEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000535207637 1007256406 /nfs/dbraw/zinc/25/64/06/1007256406.db2.gz RIWBCBLZFBZIQA-OAQYLSRUSA-N 1 1 401.514 3.756 20 30 HHEDMO CCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000535208022 1007257427 /nfs/dbraw/zinc/25/74/27/1007257427.db2.gz WAJMHXWESAIELG-UHFFFAOYSA-N 1 1 419.525 3.862 20 30 HHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000532907946 1007283054 /nfs/dbraw/zinc/28/30/54/1007283054.db2.gz ONXTXXAWYPLPOW-OAQYLSRUSA-N 1 1 420.557 3.538 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](c3ccccc3)[C@@H]3CCOC3)CC2)cc1 ZINC000538999061 1007295860 /nfs/dbraw/zinc/29/58/60/1007295860.db2.gz KJZUGCQTPLCEPV-DNQXCXABSA-N 1 1 418.541 3.553 20 30 HHEDMO CC[C@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)[N@H+]1CCc2ccccc2C1 ZINC000516843505 1007320097 /nfs/dbraw/zinc/32/00/97/1007320097.db2.gz SLZZVGWBBQMSHI-OAQYLSRUSA-N 1 1 422.598 3.924 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1C ZINC000535282326 1007334027 /nfs/dbraw/zinc/33/40/27/1007334027.db2.gz USWBJFWVHFBJPF-HSZRJFAPSA-N 1 1 413.525 3.997 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1C ZINC000535282326 1007334044 /nfs/dbraw/zinc/33/40/44/1007334044.db2.gz USWBJFWVHFBJPF-HSZRJFAPSA-N 1 1 413.525 3.997 20 30 HHEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000532979823 1007351461 /nfs/dbraw/zinc/35/14/61/1007351461.db2.gz BDOCMJPWIBQHRG-FUHWJXTLSA-N 1 1 403.461 3.700 20 30 HHEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000532979823 1007351472 /nfs/dbraw/zinc/35/14/72/1007351472.db2.gz BDOCMJPWIBQHRG-FUHWJXTLSA-N 1 1 403.461 3.700 20 30 HHEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CC#Cc2cccc(Cl)c2)C(C)C)cc1 ZINC000533003199 1007370504 /nfs/dbraw/zinc/37/05/04/1007370504.db2.gz GVLIRAJIPCDENO-QFIPXVFZSA-N 1 1 414.933 3.800 20 30 HHEDMO C[C@H]1C[NH+](CCOC2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000539106575 1007394004 /nfs/dbraw/zinc/39/40/04/1007394004.db2.gz DMDVURIWOKBFGA-HOTGVXAUSA-N 1 1 411.468 3.672 20 30 HHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533047843 1007409479 /nfs/dbraw/zinc/40/94/79/1007409479.db2.gz QXMRFBHWUGMUGD-AEFFLSMTSA-N 1 1 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CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000439776280 983534190 /nfs/dbraw/zinc/53/41/90/983534190.db2.gz SBFDNHHABAFXLB-CYFREDJKSA-N 1 1 404.558 3.953 20 30 HHEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C[C@H](C)O1 ZINC000440252082 983697956 /nfs/dbraw/zinc/69/79/56/983697956.db2.gz DUJKNNCGMQHENM-ZRCGQRJVSA-N 1 1 412.578 3.952 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000440515595 983782126 /nfs/dbraw/zinc/78/21/26/983782126.db2.gz PSNSZAPYWMGHHM-IRLDBZIGSA-N 1 1 424.541 3.575 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000440515595 983782127 /nfs/dbraw/zinc/78/21/27/983782127.db2.gz PSNSZAPYWMGHHM-IRLDBZIGSA-N 1 1 424.541 3.575 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCO)[C@H]2CCCc3ccccc32)c1C ZINC000440648279 983837600 /nfs/dbraw/zinc/83/76/00/983837600.db2.gz WSBUOBHVIWVKMD-DEOSSOPVSA-N 1 1 405.542 3.922 20 30 HHEDMO C=CCC[C@H](NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440865772 983942045 /nfs/dbraw/zinc/94/20/45/983942045.db2.gz QCCJYQOGFHGXKG-APWZRJJASA-N 1 1 412.500 3.648 20 30 HHEDMO C=CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440865775 983942080 /nfs/dbraw/zinc/94/20/80/983942080.db2.gz QCCJYQOGFHGXKG-QFBILLFUSA-N 1 1 412.500 3.648 20 30 HHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441063564 984050517 /nfs/dbraw/zinc/05/05/17/984050517.db2.gz MFFCCIKSMISIFI-IGCXYCKISA-N 1 1 402.486 3.784 20 30 HHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441063564 984050524 /nfs/dbraw/zinc/05/05/24/984050524.db2.gz MFFCCIKSMISIFI-IGCXYCKISA-N 1 1 402.486 3.784 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441272565 984152162 /nfs/dbraw/zinc/15/21/62/984152162.db2.gz AEXCSSYEHDDYQM-IKGGRYGDSA-N 1 1 401.576 3.964 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441274389 984153490 /nfs/dbraw/zinc/15/34/90/984153490.db2.gz FJJCZQQYVSTHQS-RTBURBONSA-N 1 1 424.520 3.792 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441282513 984157508 /nfs/dbraw/zinc/15/75/08/984157508.db2.gz VQMBEXDSTIXUTN-VXKWHMMOSA-N 1 1 420.557 3.712 20 30 HHEDMO N#CCCN(C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000441411917 984237974 /nfs/dbraw/zinc/23/79/74/984237974.db2.gz OGNVIQPHJHKRPV-UTKZUKDTSA-N 1 1 400.954 3.535 20 30 HHEDMO N#CCCN(C(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000441411911 984238094 /nfs/dbraw/zinc/23/80/94/984238094.db2.gz OGNVIQPHJHKRPV-DYESRHJHSA-N 1 1 400.954 3.535 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000441420266 984241638 /nfs/dbraw/zinc/24/16/38/984241638.db2.gz YYDBTXJSIWXWQF-AVRDEDQJSA-N 1 1 414.981 3.844 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000441662524 984380564 /nfs/dbraw/zinc/38/05/64/984380564.db2.gz BALCLMIKVPYHKY-INIZCTEOSA-N 1 1 404.470 3.561 20 30 HHEDMO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000441856399 984502822 /nfs/dbraw/zinc/50/28/22/984502822.db2.gz SFNGSYGUDBBTQQ-IBGZPJMESA-N 1 1 409.530 3.707 20 30 HHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000441906126 984530119 /nfs/dbraw/zinc/53/01/19/984530119.db2.gz SHKXDOSUADYIKQ-AWEZNQCLSA-N 1 1 424.467 3.532 20 30 HHEDMO CSc1nc(C2CC2)nc(C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462026138 985003590 /nfs/dbraw/zinc/00/35/90/985003590.db2.gz HOKCDWGWJYMJAV-UHFFFAOYSA-N 1 1 421.570 3.604 20 30 HHEDMO CSc1nc(C2CC2)nc(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462026138 985003599 /nfs/dbraw/zinc/00/35/99/985003599.db2.gz HOKCDWGWJYMJAV-UHFFFAOYSA-N 1 1 421.570 3.604 20 30 HHEDMO CC[N@@H+](CCC1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1)CC(C)C ZINC000462088239 985059773 /nfs/dbraw/zinc/05/97/73/985059773.db2.gz LYJWYUKLGKLGTE-UHFFFAOYSA-N 1 1 423.565 3.751 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000442633989 985109673 /nfs/dbraw/zinc/10/96/73/985109673.db2.gz LODXQZQIZAWKJN-FQEVSTJZSA-N 1 1 421.541 3.703 20 30 HHEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000462161196 985136631 /nfs/dbraw/zinc/13/66/31/985136631.db2.gz CSFATKCGAZGXMZ-UHFFFAOYSA-N 1 1 417.962 3.541 20 30 HHEDMO COc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)ccc1C#N ZINC000442849893 985246402 /nfs/dbraw/zinc/24/64/02/985246402.db2.gz OJZWKMDPXRFUPA-LJQANCHMSA-N 1 1 407.518 3.798 20 30 HHEDMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000443010341 985334291 /nfs/dbraw/zinc/33/42/91/985334291.db2.gz DIQYPDSIFHTTHP-OXJNMPFZSA-N 1 1 401.507 3.543 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1cccs1 ZINC000443239732 985457618 /nfs/dbraw/zinc/45/76/18/985457618.db2.gz ZHFJIOVGYOOYMH-UGSOOPFHSA-N 1 1 409.964 3.635 20 30 HHEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H]1C ZINC000443355633 985517990 /nfs/dbraw/zinc/51/79/90/985517990.db2.gz KOIQYSCVKCDEJB-YLJYHZDGSA-N 1 1 420.513 3.620 20 30 HHEDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443368457 985529605 /nfs/dbraw/zinc/52/96/05/985529605.db2.gz JCKJDHJSCCKLPM-NVXWUHKLSA-N 1 1 403.935 3.543 20 30 HHEDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443483657 985659385 /nfs/dbraw/zinc/65/93/85/985659385.db2.gz AMNXIZWXACTREN-AOMKIAJQSA-N 1 1 402.458 3.539 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443494075 985668022 /nfs/dbraw/zinc/66/80/22/985668022.db2.gz YOVDDZIWLIEEPG-INIZCTEOSA-N 1 1 409.983 3.877 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000462807414 985738641 /nfs/dbraw/zinc/73/86/41/985738641.db2.gz AYKMQOXFIHZJLH-YCRPNKLZSA-N 1 1 406.555 3.803 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCC(=O)OC(C)(C)C ZINC000468144326 985812263 /nfs/dbraw/zinc/81/22/63/985812263.db2.gz MIEFWZYWUABEOD-UHFFFAOYSA-N 1 1 405.564 3.881 20 30 HHEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000443662863 985864669 /nfs/dbraw/zinc/86/46/69/985864669.db2.gz VZERVXABRKJOBM-QRVBRYPASA-N 1 1 412.578 3.724 20 30 HHEDMO COc1ccccc1[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[NH+](C)C ZINC000443924595 986129923 /nfs/dbraw/zinc/12/99/23/986129923.db2.gz WNEYTTDZNZNNGZ-JOCHJYFZSA-N 1 1 404.514 3.986 20 30 HHEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207047 986179388 /nfs/dbraw/zinc/17/93/88/986179388.db2.gz YPXHPLCBMPCLTA-HBMCJLEFSA-N 1 1 422.491 3.579 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000463275208 986241714 /nfs/dbraw/zinc/24/17/14/986241714.db2.gz URPXEEWVFSIVIF-GCJKJVERSA-N 1 1 408.502 3.813 20 30 HHEDMO Cc1c(Br)cccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000463361818 986327537 /nfs/dbraw/zinc/32/75/37/986327537.db2.gz QDFCITNWNORLNR-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO Cc1c(Br)cccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000463361818 986327547 /nfs/dbraw/zinc/32/75/47/986327547.db2.gz QDFCITNWNORLNR-UHFFFAOYSA-N 1 1 412.331 3.977 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](CCO)c2ccccc2)c1C#N ZINC000444241764 986434047 /nfs/dbraw/zinc/43/40/47/986434047.db2.gz RVALEPTUIYSKMS-JOCHJYFZSA-N 1 1 420.513 3.612 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](CCO)c2ccccc2)c1C#N ZINC000444241764 986434050 /nfs/dbraw/zinc/43/40/50/986434050.db2.gz RVALEPTUIYSKMS-JOCHJYFZSA-N 1 1 420.513 3.612 20 30 HHEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000468759707 986473858 /nfs/dbraw/zinc/47/38/58/986473858.db2.gz ANJFDTUBZDACHW-IAQYHMDHSA-N 1 1 420.332 3.847 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000463528629 986505302 /nfs/dbraw/zinc/50/53/02/986505302.db2.gz QUPQHSUIBRNRBE-UHFFFAOYSA-N 1 1 410.514 3.617 20 30 HHEDMO C=CCOc1cc(OC)ccc1C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000463528629 986505304 /nfs/dbraw/zinc/50/53/04/986505304.db2.gz QUPQHSUIBRNRBE-UHFFFAOYSA-N 1 1 410.514 3.617 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1F ZINC000468845683 986555895 /nfs/dbraw/zinc/55/58/95/986555895.db2.gz DQNHGXUGGNIUJQ-UHFFFAOYSA-N 1 1 401.401 3.777 20 30 HHEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H](C)O1 ZINC000469008171 986713105 /nfs/dbraw/zinc/71/31/05/986713105.db2.gz NMKYNGQEHRYRHO-HSALFYBXSA-N 1 1 408.546 3.659 20 30 HHEDMO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000444675069 986857332 /nfs/dbraw/zinc/85/73/32/986857332.db2.gz QPBOMEQHFOUQKH-ZEQKJWHPSA-N 1 1 416.613 3.844 20 30 HHEDMO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000444675069 986857349 /nfs/dbraw/zinc/85/73/49/986857349.db2.gz QPBOMEQHFOUQKH-ZEQKJWHPSA-N 1 1 416.613 3.844 20 30 HHEDMO Cc1cccc2nc(C3CC[NH+]([C@H]4CCN(c5ccc(C#N)cc5)C4=O)CC3)oc21 ZINC000444763180 986924586 /nfs/dbraw/zinc/92/45/86/986924586.db2.gz TUDJGXBZNAEBEH-NRFANRHFSA-N 1 1 400.482 3.993 20 30 HHEDMO CN1CC[NH+](Cc2ccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000469338095 987044710 /nfs/dbraw/zinc/04/47/10/987044710.db2.gz DSSKYMNTSQWKKA-LJQANCHMSA-N 1 1 417.340 3.735 20 30 HHEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000444901488 987050834 /nfs/dbraw/zinc/05/08/34/987050834.db2.gz MFIDJYLUGFUSCG-KRWDZBQOSA-N 1 1 408.502 3.659 20 30 HHEDMO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000469731916 987382294 /nfs/dbraw/zinc/38/22/94/987382294.db2.gz VLAUXJMZWNQMLP-CYBMUJFWSA-N 1 1 423.344 3.595 20 30 HHEDMO N#Cc1ccc(CSCC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000469851631 987488671 /nfs/dbraw/zinc/48/86/71/987488671.db2.gz ZRKBTVGVIQCYIZ-OAQYLSRUSA-N 1 1 411.596 3.525 20 30 HHEDMO N#Cc1ccc(CSCC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000469851631 987488675 /nfs/dbraw/zinc/48/86/75/987488675.db2.gz ZRKBTVGVIQCYIZ-OAQYLSRUSA-N 1 1 411.596 3.525 20 30 HHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000469988639 987604969 /nfs/dbraw/zinc/60/49/69/987604969.db2.gz BQDZAUPLIGMWFJ-OAHLLOKOSA-N 1 1 406.370 3.836 20 30 HHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000469988639 987604975 /nfs/dbraw/zinc/60/49/75/987604975.db2.gz BQDZAUPLIGMWFJ-OAHLLOKOSA-N 1 1 406.370 3.836 20 30 HHEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000470071189 987969072 /nfs/dbraw/zinc/96/90/72/987969072.db2.gz IUKMNHRHGSIEGE-IBGZPJMESA-N 1 1 412.500 3.648 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](CCO)[C@H]2CCc3ccccc32)ccc1Cl ZINC000470219348 988146591 /nfs/dbraw/zinc/14/65/91/988146591.db2.gz KFAGMIBIZXIEHB-QFIPXVFZSA-N 1 1 411.933 3.877 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)ccc1Cl ZINC000470219348 988146613 /nfs/dbraw/zinc/14/66/13/988146613.db2.gz KFAGMIBIZXIEHB-QFIPXVFZSA-N 1 1 411.933 3.877 20 30 HHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000470232933 988168330 /nfs/dbraw/zinc/16/83/30/988168330.db2.gz IXTZRXHAANPVBF-FQEVSTJZSA-N 1 1 403.526 3.941 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000470841037 988918201 /nfs/dbraw/zinc/91/82/01/988918201.db2.gz MPTKJWGECLXNHE-SFHVURJKSA-N 1 1 416.525 3.655 20 30 HHEDMO C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000470841037 988918207 /nfs/dbraw/zinc/91/82/07/988918207.db2.gz MPTKJWGECLXNHE-SFHVURJKSA-N 1 1 416.525 3.655 20 30 HHEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000470892403 988965103 /nfs/dbraw/zinc/96/51/03/988965103.db2.gz RSEQGLMBYOBHIW-JSRJAPPDSA-N 1 1 410.562 3.622 20 30 HHEDMO C=C(C)C[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)Cc1ccccc1 ZINC000470914193 988989788 /nfs/dbraw/zinc/98/97/88/988989788.db2.gz VKUIEZRRHBOQER-UHFFFAOYSA-N 1 1 411.590 3.752 20 30 HHEDMO C=C(C)C[N@@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)Cc1ccccc1 ZINC000470914193 988989794 /nfs/dbraw/zinc/98/97/94/988989794.db2.gz VKUIEZRRHBOQER-UHFFFAOYSA-N 1 1 411.590 3.752 20 30 HHEDMO C=C(C)C[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC000470916912 988991609 /nfs/dbraw/zinc/99/16/09/988991609.db2.gz DJCBHOWXQATFBJ-UHFFFAOYSA-N 1 1 405.542 3.617 20 30 HHEDMO C=C(C)C[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC000470916912 988991615 /nfs/dbraw/zinc/99/16/15/988991615.db2.gz DJCBHOWXQATFBJ-UHFFFAOYSA-N 1 1 405.542 3.617 20 30 HHEDMO Cc1nc(C(C)(C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)sc1C ZINC000464807633 989039750 /nfs/dbraw/zinc/03/97/50/989039750.db2.gz HRRWOXKUARZKHB-UHFFFAOYSA-N 1 1 409.477 3.771 20 30 HHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](C[N@@H+](C)CC4CC4)C3)sc2C1 ZINC000470983505 989048250 /nfs/dbraw/zinc/04/82/50/989048250.db2.gz OBFFNNQPAMUGLZ-FUHWJXTLSA-N 1 1 414.619 3.737 20 30 HHEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000471006962 989075273 /nfs/dbraw/zinc/07/52/73/989075273.db2.gz OWLWKFCGXKKDHD-HXUWFJFHSA-N 1 1 400.885 3.690 20 30 HHEDMO CN(CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464836153 989079161 /nfs/dbraw/zinc/07/91/61/989079161.db2.gz JXBRFEVMIYRFJP-FQEVSTJZSA-N 1 1 408.571 3.695 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000464856778 989110767 /nfs/dbraw/zinc/11/07/67/989110767.db2.gz JJOCJGAVDQBRHY-HXUWFJFHSA-N 1 1 413.525 3.665 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000464856778 989110773 /nfs/dbraw/zinc/11/07/73/989110773.db2.gz JJOCJGAVDQBRHY-HXUWFJFHSA-N 1 1 413.525 3.665 20 30 HHEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCc2cccc(F)c2)C2CCCC2)cc1 ZINC000464893151 989161875 /nfs/dbraw/zinc/16/18/75/989161875.db2.gz IUWOIVWDHQBOBM-UHFFFAOYSA-N 1 1 400.519 3.958 20 30 HHEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000464970554 989271912 /nfs/dbraw/zinc/27/19/12/989271912.db2.gz GLBYBFSZPUKTAR-IBGZPJMESA-N 1 1 420.557 3.662 20 30 HHEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000464975121 989276236 /nfs/dbraw/zinc/27/62/36/989276236.db2.gz XMIYMCNKZYRCNZ-QHCPKHFHSA-N 1 1 420.557 3.661 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000465558221 989922869 /nfs/dbraw/zinc/92/28/69/989922869.db2.gz NPJNMVSHTBXGAV-LJQANCHMSA-N 1 1 406.530 3.668 20 30 HHEDMO Cc1nn(C)c(N2CC[NH+](Cc3c(OC(F)F)ccc4ccccc43)CC2)c1C#N ZINC000471808513 989991572 /nfs/dbraw/zinc/99/15/72/989991572.db2.gz HCBZLVDTULFNER-UHFFFAOYSA-N 1 1 411.456 3.677 20 30 HHEDMO COc1ccc(Oc2ccc(C[NH+]3CCN(c4c(C#N)c(C)nn4C)CC3)cc2)cc1 ZINC000471828134 990006526 /nfs/dbraw/zinc/00/65/26/990006526.db2.gz UCXICWQOOSHJRB-UHFFFAOYSA-N 1 1 417.513 3.723 20 30 HHEDMO C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000465683175 990067487 /nfs/dbraw/zinc/06/74/87/990067487.db2.gz DQHADJBEOAVKBJ-VEXUSMLFSA-N 1 1 402.542 3.915 20 30 HHEDMO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)nn1CCC#N ZINC000471929152 990094849 /nfs/dbraw/zinc/09/48/49/990094849.db2.gz CRWWCLFNJAPSSW-AZUAARDMSA-N 1 1 416.476 3.729 20 30 HHEDMO Cc1cc(NC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)nn1CCC#N ZINC000471929152 990094858 /nfs/dbraw/zinc/09/48/58/990094858.db2.gz CRWWCLFNJAPSSW-AZUAARDMSA-N 1 1 416.476 3.729 20 30 HHEDMO CC[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471951323 990115357 /nfs/dbraw/zinc/11/53/57/990115357.db2.gz DHZGANYYKBMSKA-OFAXGOBFSA-N 1 1 406.530 3.598 20 30 HHEDMO CC[C@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471951323 990115361 /nfs/dbraw/zinc/11/53/61/990115361.db2.gz DHZGANYYKBMSKA-OFAXGOBFSA-N 1 1 406.530 3.598 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000466066596 991238947 /nfs/dbraw/zinc/23/89/47/991238947.db2.gz LXPPJSUVAAECKW-UHFFFAOYSA-N 1 1 415.497 3.631 20 30 HHEDMO Cc1ccc(O[C@@H](C)CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000466171566 991363662 /nfs/dbraw/zinc/36/36/62/991363662.db2.gz UKFURCAAITWWLA-FQEVSTJZSA-N 1 1 406.530 3.552 20 30 HHEDMO C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)Sc1ccccc1 ZINC000466321569 991576265 /nfs/dbraw/zinc/57/62/65/991576265.db2.gz YHVICRBLXJUKDO-IBGZPJMESA-N 1 1 408.571 3.956 20 30 HHEDMO CCO[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C12CCCC2 ZINC000466435279 991723515 /nfs/dbraw/zinc/72/35/15/991723515.db2.gz XHQDNPGILWMOHD-VXKWHMMOSA-N 1 1 410.562 3.513 20 30 HHEDMO N#CCCCOc1cccnc1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000466602825 991919258 /nfs/dbraw/zinc/91/92/58/991919258.db2.gz VMQWUICJMDEFOD-UHFFFAOYSA-N 1 1 421.545 3.937 20 30 HHEDMO C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466620221 991936320 /nfs/dbraw/zinc/93/63/20/991936320.db2.gz SYXZBIIBTRKYPW-UYAOXDASSA-N 1 1 407.518 3.796 20 30 HHEDMO CC[C@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000466623932 991939555 /nfs/dbraw/zinc/93/95/55/991939555.db2.gz YSMLKDVPFZQRJG-FQEVSTJZSA-N 1 1 407.518 3.892 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCS[C@H](C)[C@H]2C)c1C#N ZINC000472253194 993279354 /nfs/dbraw/zinc/27/93/54/993279354.db2.gz AYFAAFIPJZLJJI-IAGOWNOFSA-N 1 1 400.548 3.772 20 30 HHEDMO N#Cc1cccc(OC2CCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000472317257 993328061 /nfs/dbraw/zinc/32/80/61/993328061.db2.gz LEDFAFRMALNQDE-JOCHJYFZSA-N 1 1 418.541 3.633 20 30 HHEDMO CCC[N@@H+](CC)CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000472713589 993637513 /nfs/dbraw/zinc/63/75/13/993637513.db2.gz JUOJYHSWWSOXTP-UHFFFAOYSA-N 1 1 404.565 3.555 20 30 HHEDMO C=C(C)Cn1c(SCC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)nnc1-c1ccco1 ZINC000480787594 993655124 /nfs/dbraw/zinc/65/51/24/993655124.db2.gz DQZMLZHAWNCKJE-SJORKVTESA-N 1 1 417.579 3.585 20 30 HHEDMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481029291 993874498 /nfs/dbraw/zinc/87/44/98/993874498.db2.gz WWGVNTCFFCCMDB-UWJYYQICSA-N 1 1 415.534 3.685 20 30 HHEDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC#Cc4ccccc4Cl)CC3)nc2c1 ZINC000481172040 994003148 /nfs/dbraw/zinc/00/31/48/994003148.db2.gz FDNMMWSUXYNJKH-UHFFFAOYSA-N 1 1 409.877 3.688 20 30 HHEDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC#Cc4ccccc4Cl)CC3)nc2c1 ZINC000481172040 994003157 /nfs/dbraw/zinc/00/31/57/994003157.db2.gz FDNMMWSUXYNJKH-UHFFFAOYSA-N 1 1 409.877 3.688 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1C ZINC000473161816 994031626 /nfs/dbraw/zinc/03/16/26/994031626.db2.gz DJWJQZHQNRYHLV-UHFFFAOYSA-N 1 1 403.530 3.962 20 30 HHEDMO C=CCOc1ccc(C(=O)N[C@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1OC ZINC000473198194 994061153 /nfs/dbraw/zinc/06/11/53/994061153.db2.gz PGEIXMKDECQIQI-ZJSXRUAMSA-N 1 1 424.541 3.669 20 30 HHEDMO C=CCOc1ccc(C(=O)N[C@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1OC ZINC000473198194 994061166 /nfs/dbraw/zinc/06/11/66/994061166.db2.gz PGEIXMKDECQIQI-ZJSXRUAMSA-N 1 1 424.541 3.669 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(-c4cncnc4)cc3F)CC2)cc1 ZINC000481348083 994171390 /nfs/dbraw/zinc/17/13/90/994171390.db2.gz PXYXZQNNYONHIV-UHFFFAOYSA-N 1 1 415.472 3.502 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(-c4cncnc4)cc3F)CC2)cc1 ZINC000481348083 994171400 /nfs/dbraw/zinc/17/14/00/994171400.db2.gz PXYXZQNNYONHIV-UHFFFAOYSA-N 1 1 415.472 3.502 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1C#N ZINC000481408388 994242444 /nfs/dbraw/zinc/24/24/44/994242444.db2.gz MWPTVNXWXDWIJH-LAUBAEHRSA-N 1 1 412.509 3.526 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1c(OC)cc(OC)cc1OC)c1ccc(F)c(F)c1 ZINC000481605321 994456650 /nfs/dbraw/zinc/45/66/50/994456650.db2.gz HDGXCUGAADZGEI-QFIPXVFZSA-N 1 1 420.456 3.514 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(CC)Cc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000481609826 994463518 /nfs/dbraw/zinc/46/35/18/994463518.db2.gz OUOKLQXTCUIARC-QHCPKHFHSA-N 1 1 416.468 3.992 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCC(C(=O)NCCC(C)C)CC1)c1ccc(F)c(F)c1 ZINC000481617210 994477127 /nfs/dbraw/zinc/47/71/27/994477127.db2.gz ZPEZMARLOHQIPC-QFIPXVFZSA-N 1 1 421.532 3.573 20 30 HHEDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000473614406 994495751 /nfs/dbraw/zinc/49/57/51/994495751.db2.gz BUFVSMFMYWZQPW-NRFANRHFSA-N 1 1 405.502 3.759 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ncoc3-c3ccc(F)cc3)CC2)cc1 ZINC000473628267 994508773 /nfs/dbraw/zinc/50/87/73/994508773.db2.gz JBCVLFAXXCRKFU-UHFFFAOYSA-N 1 1 404.445 3.700 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ncoc3-c3ccc(F)cc3)CC2)cc1 ZINC000473628267 994508783 /nfs/dbraw/zinc/50/87/83/994508783.db2.gz JBCVLFAXXCRKFU-UHFFFAOYSA-N 1 1 404.445 3.700 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c(Br)c1 ZINC000481850441 994706682 /nfs/dbraw/zinc/70/66/82/994706682.db2.gz XOLHSRKIKXELFR-UHFFFAOYSA-N 1 1 400.324 3.628 20 30 HHEDMO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000481891287 994760202 /nfs/dbraw/zinc/76/02/02/994760202.db2.gz JQUGBAWAAGVYQW-AJSBUHFISA-N 1 1 403.526 3.839 20 30 HHEDMO COc1cccc([C@@H]2[C@@H](NC(=O)CSCc3ccc(C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000482018002 994927591 /nfs/dbraw/zinc/92/75/91/994927591.db2.gz KMCWLENFZYSKCF-LADGPHEKSA-N 1 1 421.566 3.894 20 30 HHEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CC(C)(C)O ZINC000474178320 995168546 /nfs/dbraw/zinc/16/85/46/995168546.db2.gz PCGJRJOETRPFLX-UHFFFAOYSA-N 1 1 400.498 3.526 20 30 HHEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000474906754 995792746 /nfs/dbraw/zinc/79/27/46/995792746.db2.gz QASSYCKRIDJTAY-UHFFFAOYSA-N 1 1 404.558 3.555 20 30 HHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000483126958 995991666 /nfs/dbraw/zinc/99/16/66/995991666.db2.gz 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COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)cc1 ZINC000504492258 1000231891 /nfs/dbraw/zinc/23/18/91/1000231891.db2.gz DDTYJSKMQYAZNM-ICSRJNTNSA-N 1 1 407.514 3.828 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCS[C@H](C)CC2)c1C#N ZINC000494146426 1000328966 /nfs/dbraw/zinc/32/89/66/1000328966.db2.gz SUVRVAAARDQCMM-OAHLLOKOSA-N 1 1 414.550 3.930 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCS[C@H](C)CC2)c1C#N ZINC000494146426 1000328975 /nfs/dbraw/zinc/32/89/75/1000328975.db2.gz SUVRVAAARDQCMM-OAHLLOKOSA-N 1 1 414.550 3.930 20 30 HHEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494163175 1000336467 /nfs/dbraw/zinc/33/64/67/1000336467.db2.gz IITWJLBZNNMBSZ-HKUYNNGSSA-N 1 1 404.848 3.839 20 30 HHEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000494163175 1000336471 /nfs/dbraw/zinc/33/64/71/1000336471.db2.gz IITWJLBZNNMBSZ-HKUYNNGSSA-N 1 1 404.848 3.839 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000494195704 1000356122 /nfs/dbraw/zinc/35/61/22/1000356122.db2.gz QVJFPPUEWWNCID-XXBNENTESA-N 1 1 421.541 3.607 20 30 HHEDMO CN1C(=O)C[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@@H]1c1ccc(F)c(F)c1 ZINC000494256921 1000393322 /nfs/dbraw/zinc/39/33/22/1000393322.db2.gz MYIIHIDRHDXEMT-MJGOQNOKSA-N 1 1 420.257 3.661 20 30 HHEDMO COCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Br)s1 ZINC000494285265 1000412341 /nfs/dbraw/zinc/41/23/41/1000412341.db2.gz NXJFIRPJYHQTSA-UHFFFAOYSA-N 1 1 422.348 3.859 20 30 HHEDMO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000504870296 1000416286 /nfs/dbraw/zinc/41/62/86/1000416286.db2.gz QYJOCGJOYSDNNW-KRWDZBQOSA-N 1 1 415.459 3.803 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H](OCC4CC4)C3)sc2C1 ZINC000494656200 1000591317 /nfs/dbraw/zinc/59/13/17/1000591317.db2.gz UKKZGWXWRZSCLY-WBVHZDCISA-N 1 1 401.576 3.964 20 30 HHEDMO COCC[N@@H+](C)CC[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000494679958 1000600564 /nfs/dbraw/zinc/60/05/64/1000600564.db2.gz LKWKOTBZQYIJSD-QFIPXVFZSA-N 1 1 406.530 3.556 20 30 HHEDMO CCC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(C)C ZINC000494838857 1000688424 /nfs/dbraw/zinc/68/84/24/1000688424.db2.gz UWLWEDKASQSNOK-GOSISDBHSA-N 1 1 400.567 3.724 20 30 HHEDMO N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000505308809 1000690353 /nfs/dbraw/zinc/69/03/53/1000690353.db2.gz VBUPVMXWGMYZIF-JOCHJYFZSA-N 1 1 420.532 3.695 20 30 HHEDMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1OCCc2sccc21 ZINC000494933939 1000738139 /nfs/dbraw/zinc/73/81/39/1000738139.db2.gz GNALDTVMGNZVPV-VGSWGCGISA-N 1 1 424.570 3.540 20 30 HHEDMO CC[N@@H+](CCNC(=O)NCc1ccc(F)cc1C(F)(F)F)CCC(F)(F)F ZINC000495016060 1000779333 /nfs/dbraw/zinc/77/93/33/1000779333.db2.gz GVQZXBHVLZYZFS-UHFFFAOYSA-N 1 1 403.342 3.918 20 30 HHEDMO C=CCNC(=O)c1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000495315165 1000964537 /nfs/dbraw/zinc/96/45/37/1000964537.db2.gz UXVHMWGCSYZNBA-SFHVURJKSA-N 1 1 402.901 3.866 20 30 HHEDMO C=CCNC(=O)c1ccc(N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC000495315165 1000964542 /nfs/dbraw/zinc/96/45/42/1000964542.db2.gz UXVHMWGCSYZNBA-SFHVURJKSA-N 1 1 402.901 3.866 20 30 HHEDMO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000505672429 1000967818 /nfs/dbraw/zinc/96/78/18/1000967818.db2.gz JFDHBWOLVDOSFJ-KNQAVFIVSA-N 1 1 405.542 3.771 20 30 HHEDMO N#CC1(F)CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000495374497 1000989642 /nfs/dbraw/zinc/98/96/42/1000989642.db2.gz QKFFQVQMRAFJJO-UHFFFAOYSA-N 1 1 413.324 3.995 20 30 HHEDMO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000505787499 1001024061 /nfs/dbraw/zinc/02/40/61/1001024061.db2.gz OQGMLEZGJFPVIV-AVRDEDQJSA-N 1 1 419.953 3.855 20 30 HHEDMO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)cc3)cc2F)CC1 ZINC000505800689 1001033222 /nfs/dbraw/zinc/03/32/22/1001033222.db2.gz DNKRBDYPIXCUMR-LJQANCHMSA-N 1 1 400.885 3.616 20 30 HHEDMO C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000505998999 1001153422 /nfs/dbraw/zinc/15/34/22/1001153422.db2.gz WRXWYIASTGDWFX-QZTJIDSGSA-N 1 1 422.529 3.856 20 30 HHEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(CCCN3CCOCC3)CC2)c2ccccc21 ZINC000506052811 1001193848 /nfs/dbraw/zinc/19/38/48/1001193848.db2.gz ZGQJFJNRTOTZIF-UHFFFAOYSA-N 1 1 422.573 3.562 20 30 HHEDMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1OCCCC#N ZINC000506138355 1001242870 /nfs/dbraw/zinc/24/28/70/1001242870.db2.gz RLCKCPODSPZBPG-IBGZPJMESA-N 1 1 405.502 3.800 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000497372750 1001317117 /nfs/dbraw/zinc/31/71/17/1001317117.db2.gz URZKQFIPXCBODU-CEXWTWQISA-N 1 1 405.608 3.668 20 30 HHEDMO Cc1nn2c(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c(C(C)C)nc2s1 ZINC000506271250 1001320425 /nfs/dbraw/zinc/32/04/25/1001320425.db2.gz WUCGPKFRSHZFOZ-UHFFFAOYSA-N 1 1 408.575 3.802 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(O)ccc3Br)CC2)cc1 ZINC000506271706 1001320929 /nfs/dbraw/zinc/32/09/29/1001320929.db2.gz YABVQPQRMAYQGV-UHFFFAOYSA-N 1 1 400.320 3.734 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000497389231 1001329088 /nfs/dbraw/zinc/32/90/88/1001329088.db2.gz NJVPABLPUPARJO-OALUTQOASA-N 1 1 408.546 3.754 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000497389231 1001329091 /nfs/dbraw/zinc/32/90/91/1001329091.db2.gz NJVPABLPUPARJO-OALUTQOASA-N 1 1 408.546 3.754 20 30 HHEDMO C[N@H+]1C[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000497399777 1001338079 /nfs/dbraw/zinc/33/80/79/1001338079.db2.gz PCSAJSWILZUKGT-JWQCQUIFSA-N 1 1 411.505 3.965 20 30 HHEDMO CCCC[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000506771741 1001521861 /nfs/dbraw/zinc/52/18/61/1001521861.db2.gz JFMULRCLUGLDEH-QFIPXVFZSA-N 1 1 412.555 3.926 20 30 HHEDMO CCCC[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000506771741 1001521867 /nfs/dbraw/zinc/52/18/67/1001521867.db2.gz JFMULRCLUGLDEH-QFIPXVFZSA-N 1 1 412.555 3.926 20 30 HHEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000497942197 1001573370 /nfs/dbraw/zinc/57/33/70/1001573370.db2.gz QTZUOLAPXUGLPF-QZTJIDSGSA-N 1 1 415.497 3.605 20 30 HHEDMO N#Cc1cccnc1N1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000506937796 1001604557 /nfs/dbraw/zinc/60/45/57/1001604557.db2.gz SCHVUZLLJZQLFW-UHFFFAOYSA-N 1 1 402.473 3.994 20 30 HHEDMO C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498381402 1001811784 /nfs/dbraw/zinc/81/17/84/1001811784.db2.gz BKCDOBCZZONZEM-HOCLYGCPSA-N 1 1 402.420 3.612 20 30 HHEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498417217 1001846936 /nfs/dbraw/zinc/84/69/36/1001846936.db2.gz NRALLNOOCPJVJI-YADHBBJMSA-N 1 1 412.484 3.856 20 30 HHEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498417217 1001846949 /nfs/dbraw/zinc/84/69/49/1001846949.db2.gz NRALLNOOCPJVJI-YADHBBJMSA-N 1 1 412.484 3.856 20 30 HHEDMO CCC1(C)CC[NH+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000507208480 1001896015 /nfs/dbraw/zinc/89/60/15/1001896015.db2.gz QNKDPJLNQFGDOK-GOSISDBHSA-N 1 1 412.578 3.868 20 30 HHEDMO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cc1F ZINC000507216067 1001903752 /nfs/dbraw/zinc/90/37/52/1001903752.db2.gz TWSZQOYJPKMSHZ-BONVTDFDSA-N 1 1 408.296 3.977 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507294032 1001978377 /nfs/dbraw/zinc/97/83/77/1001978377.db2.gz BDUKCVPFFVAMAZ-SFHVURJKSA-N 1 1 422.504 3.812 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1Cl ZINC000507295971 1001980040 /nfs/dbraw/zinc/98/00/40/1001980040.db2.gz KGNNUQYUEXFTFK-UHFFFAOYSA-N 1 1 416.953 3.655 20 30 HHEDMO Cn1nccc1-c1ccccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000507330592 1002005104 /nfs/dbraw/zinc/00/51/04/1002005104.db2.gz QVCJXCOAJZOFHK-UHFFFAOYSA-N 1 1 414.469 3.529 20 30 HHEDMO CCCCCC(=O)NC1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000498690241 1002077320 /nfs/dbraw/zinc/07/73/20/1002077320.db2.gz XSMWMPPVIUFANL-UHFFFAOYSA-N 1 1 412.578 3.711 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)C2=O)cc1 ZINC000507475860 1002093298 /nfs/dbraw/zinc/09/32/98/1002093298.db2.gz IDCXIOVABRDNQA-WUEDSLEZSA-N 1 1 414.553 3.554 20 30 HHEDMO N#Cc1ccc(CC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000498718299 1002099894 /nfs/dbraw/zinc/09/98/94/1002099894.db2.gz WPLIAECJNGOYGC-UHFFFAOYSA-N 1 1 401.432 3.900 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000507667661 1002263671 /nfs/dbraw/zinc/26/36/71/1002263671.db2.gz WKHVWFWCJMGKKD-UHFFFAOYSA-N 1 1 417.513 3.933 20 30 HHEDMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000507667661 1002263659 /nfs/dbraw/zinc/26/36/59/1002263659.db2.gz WKHVWFWCJMGKKD-UHFFFAOYSA-N 1 1 417.513 3.933 20 30 HHEDMO Cc1ccc([C@H](NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000507836261 1002378105 /nfs/dbraw/zinc/37/81/05/1002378105.db2.gz ZUGCOVAAFBRZQZ-VWLOTQADSA-N 1 1 403.526 3.977 20 30 HHEDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000499037511 1002416703 /nfs/dbraw/zinc/41/67/03/1002416703.db2.gz MAKHJLAZOFSQKL-SFHVURJKSA-N 1 1 406.530 3.525 20 30 HHEDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000499037511 1002416708 /nfs/dbraw/zinc/41/67/08/1002416708.db2.gz MAKHJLAZOFSQKL-SFHVURJKSA-N 1 1 406.530 3.525 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000499264477 1002668390 /nfs/dbraw/zinc/66/83/90/1002668390.db2.gz MSUOFYZRZHPBEP-IBGZPJMESA-N 1 1 401.413 3.562 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000499264477 1002668395 /nfs/dbraw/zinc/66/83/95/1002668395.db2.gz MSUOFYZRZHPBEP-IBGZPJMESA-N 1 1 401.413 3.562 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000508145327 1002680301 /nfs/dbraw/zinc/68/03/01/1002680301.db2.gz HECCGJOLPOSUAI-MRXNPFEDSA-N 1 1 400.486 3.550 20 30 HHEDMO Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508458426 1002943828 /nfs/dbraw/zinc/94/38/28/1002943828.db2.gz VKJSJVQVGRIXQA-PKTZIBPZSA-N 1 1 412.541 3.845 20 30 HHEDMO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000508474279 1002959299 /nfs/dbraw/zinc/95/92/99/1002959299.db2.gz SMYSDBGXVUIBFJ-UHFFFAOYSA-N 1 1 421.520 3.813 20 30 HHEDMO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000508489281 1002972320 /nfs/dbraw/zinc/97/23/20/1002972320.db2.gz MZSXVXBGJQMQRY-UHFFFAOYSA-N 1 1 423.586 3.642 20 30 HHEDMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCC2(C#N)CCOCC2)CC1 ZINC000499602053 1002976141 /nfs/dbraw/zinc/97/61/41/1002976141.db2.gz IRVBSWZFPKDZGG-IBGZPJMESA-N 1 1 402.558 3.719 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000508571167 1003036069 /nfs/dbraw/zinc/03/60/69/1003036069.db2.gz SWGYPYAIXZRSDI-UHFFFAOYSA-N 1 1 406.574 3.737 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCc2cnccn2)cc1OCC ZINC000508681306 1003119874 /nfs/dbraw/zinc/11/98/74/1003119874.db2.gz VELKMNOPMRZHMW-UHFFFAOYSA-N 1 1 406.324 3.877 20 30 HHEDMO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508716945 1003156545 /nfs/dbraw/zinc/15/65/45/1003156545.db2.gz RPDXYEAGDROLHT-ICSRJNTNSA-N 1 1 423.561 3.505 20 30 HHEDMO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508819155 1003243189 /nfs/dbraw/zinc/24/31/89/1003243189.db2.gz XMVFKFVVJTUIPA-NZQKXSOJSA-N 1 1 421.589 3.711 20 30 HHEDMO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508831308 1003252570 /nfs/dbraw/zinc/25/25/70/1003252570.db2.gz BGJCJMKCMDXPSB-INIZCTEOSA-N 1 1 403.958 3.961 20 30 HHEDMO C=CC[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000508855406 1003275704 /nfs/dbraw/zinc/27/57/04/1003275704.db2.gz 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HHEDMO C[C@@H](CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000540980486 1011614284 /nfs/dbraw/zinc/61/42/84/1011614284.db2.gz JLWGHUWIGSGGMS-KRWDZBQOSA-N 1 1 420.492 3.915 20 30 HHEDMO C[C@H](CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000540980487 1011614426 /nfs/dbraw/zinc/61/44/26/1011614426.db2.gz JLWGHUWIGSGGMS-QGZVFWFLSA-N 1 1 420.492 3.915 20 30 HHEDMO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000541103494 1011750188 /nfs/dbraw/zinc/75/01/88/1011750188.db2.gz PDOFDPZPLBNRSC-UHFFFAOYSA-N 1 1 412.925 3.880 20 30 HHEDMO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)n2)c(F)c1 ZINC000541133299 1011791796 /nfs/dbraw/zinc/79/17/96/1011791796.db2.gz YSHLQJWUUSABOR-GOSISDBHSA-N 1 1 421.451 3.873 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1OC ZINC000536670837 1011826016 /nfs/dbraw/zinc/82/60/16/1011826016.db2.gz MBQGXOLZCWJBEY-OAHLLOKOSA-N 1 1 420.351 3.821 20 30 HHEDMO C=CC[N@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675224 1011834087 /nfs/dbraw/zinc/83/40/87/1011834087.db2.gz GEQJYHZSWKGLLD-DLBZAZTESA-N 1 1 405.502 3.744 20 30 HHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(I)c1 ZINC000551806608 1011964514 /nfs/dbraw/zinc/96/45/14/1011964514.db2.gz TUMVXVJHQZWPAW-UHFFFAOYSA-N 1 1 406.267 3.811 20 30 HHEDMO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000552046614 1012066145 /nfs/dbraw/zinc/06/61/45/1012066145.db2.gz MNEBKTOSDJWIKB-IBGZPJMESA-N 1 1 421.564 3.769 20 30 HHEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)Cc1c(F)cccc1C#N ZINC000552116012 1012134256 /nfs/dbraw/zinc/13/42/56/1012134256.db2.gz ZKMMRSDSQNBAKW-FQEVSTJZSA-N 1 1 417.488 3.831 20 30 HHEDMO C[N@H+]1CC[C@H](CNC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552136576 1012155882 /nfs/dbraw/zinc/15/58/82/1012155882.db2.gz CTAWUWCDXCBKQX-QVKFZJNVSA-N 1 1 403.860 3.842 20 30 HHEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000523606309 1012174445 /nfs/dbraw/zinc/17/44/45/1012174445.db2.gz QEMYMETYKKGJCT-FCHUYYIVSA-N 1 1 424.541 3.802 20 30 HHEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000523606312 1012175252 /nfs/dbraw/zinc/17/52/52/1012175252.db2.gz QEMYMETYKKGJCT-YADHBBJMSA-N 1 1 424.541 3.802 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000552191691 1012203974 /nfs/dbraw/zinc/20/39/74/1012203974.db2.gz OOPQMTLAOFFYCI-MBSDFSHPSA-N 1 1 402.546 3.642 20 30 HHEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000536977117 1012276339 /nfs/dbraw/zinc/27/63/39/1012276339.db2.gz DOGCVYLJSDNCDW-ZEQRLZLVSA-N 1 1 418.541 3.668 20 30 HHEDMO C[C@@H]1C[N@H+](CC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)C[C@H](C)O1 ZINC000536983734 1012283574 /nfs/dbraw/zinc/28/35/74/1012283574.db2.gz YVCWRYWUTSVHAK-GASCZTMLSA-N 1 1 400.473 3.710 20 30 HHEDMO COCC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccco1 ZINC000541603581 1012402397 /nfs/dbraw/zinc/40/23/97/1012402397.db2.gz QUBBDPPUDJQRAM-LJQANCHMSA-N 1 1 410.474 3.517 20 30 HHEDMO COc1ccc(CC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC(C)C)cc1OC ZINC000523790961 1012446217 /nfs/dbraw/zinc/44/62/17/1012446217.db2.gz GURSCDNPCBYBDO-UHFFFAOYSA-N 1 1 401.551 3.547 20 30 HHEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000552585112 1012590778 /nfs/dbraw/zinc/59/07/78/1012590778.db2.gz GYPGMWBSOMSKKY-OAQYLSRUSA-N 1 1 404.986 3.817 20 30 HHEDMO COCC[N@H+]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000523979338 1012727272 /nfs/dbraw/zinc/72/72/72/1012727272.db2.gz DQGBBZVHARHXMD-UHFFFAOYSA-N 1 1 413.905 3.798 20 30 HHEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542025786 1012920088 /nfs/dbraw/zinc/92/00/88/1012920088.db2.gz GEVRHVVLFSOOHN-GOSISDBHSA-N 1 1 406.877 3.706 20 30 HHEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542025786 1012920106 /nfs/dbraw/zinc/92/01/06/1012920106.db2.gz GEVRHVVLFSOOHN-GOSISDBHSA-N 1 1 406.877 3.706 20 30 HHEDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542033295 1012930501 /nfs/dbraw/zinc/93/05/01/1012930501.db2.gz QWWRNIPMDDMFNA-QGZVFWFLSA-N 1 1 423.908 3.853 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000524156332 1012947331 /nfs/dbraw/zinc/94/73/31/1012947331.db2.gz VIJMFWXCIDAPIH-UHFFFAOYSA-N 1 1 414.509 3.897 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000524156332 1012947342 /nfs/dbraw/zinc/94/73/42/1012947342.db2.gz VIJMFWXCIDAPIH-UHFFFAOYSA-N 1 1 414.509 3.897 20 30 HHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]2CCCC[C@H]21 ZINC000542053147 1012964100 /nfs/dbraw/zinc/96/41/00/1012964100.db2.gz XVCPWNGEHGRVEJ-MDPIYQRISA-N 1 1 424.589 3.867 20 30 HHEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)C2=O)cc1 ZINC000542056665 1012971434 /nfs/dbraw/zinc/97/14/34/1012971434.db2.gz CSRGZSHBKBHCBM-MSOLQXFVSA-N 1 1 417.435 3.606 20 30 HHEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC3COC3)cc2)no1 ZINC001211975856 1071829723 /nfs/dbraw/zinc/82/97/23/1071829723.db2.gz RLDRZPQKHAGHQQ-XLIONFOSSA-N 1 1 401.507 3.592 20 30 HHEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(OC3COC3)cc2)no1 ZINC001211975855 1071829865 /nfs/dbraw/zinc/82/98/65/1071829865.db2.gz RLDRZPQKHAGHQQ-PXNSSMCTSA-N 1 1 401.507 3.592 20 30 HHEDMO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000568918850 1071974837 /nfs/dbraw/zinc/97/48/37/1071974837.db2.gz NNOBAVRZOMNYQX-UHFFFAOYSA-N 1 1 417.561 3.976 20 30 HHEDMO COc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@]3(C1)COCCN(c1cccc(C#N)c1)C3)C2 ZINC001168272641 1072078995 /nfs/dbraw/zinc/07/89/95/1072078995.db2.gz ILXOOHFUFKIOBH-RSXGOPAZSA-N 1 1 417.553 3.653 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000729812112 1072127125 /nfs/dbraw/zinc/12/71/25/1072127125.db2.gz LXGJZOHSANRHCJ-SFHVURJKSA-N 1 1 416.319 3.506 20 30 HHEDMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(NCc3cccc(C#N)c3)c2c1C ZINC000488214431 1072128917 /nfs/dbraw/zinc/12/89/17/1072128917.db2.gz GHVROBPWQQACFG-UHFFFAOYSA-N 1 1 409.515 3.722 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCSC[C@H](C)C2)c1C#N ZINC000488248300 1072164057 /nfs/dbraw/zinc/16/40/57/1072164057.db2.gz HRPYWYJAPPXYSX-CQSZACIVSA-N 1 1 400.523 3.728 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCSC[C@H](C)C2)c1C#N ZINC000488248300 1072164061 /nfs/dbraw/zinc/16/40/61/1072164061.db2.gz HRPYWYJAPPXYSX-CQSZACIVSA-N 1 1 400.523 3.728 20 30 HHEDMO N#CCOc1cccc(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000760403303 1072328759 /nfs/dbraw/zinc/32/87/59/1072328759.db2.gz MAVGLTOWDGMPPL-VWNXMTODSA-N 1 1 403.526 3.645 20 30 HHEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)sc2C1 ZINC000570889475 1072402983 /nfs/dbraw/zinc/40/29/83/1072402983.db2.gz XWHBWKWKEJNRQT-WIBUTAKZSA-N 1 1 401.576 3.963 20 30 HHEDMO C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000586806001 1072429281 /nfs/dbraw/zinc/42/92/81/1072429281.db2.gz OYRYDXKJVZXNLJ-XLIONFOSSA-N 1 1 412.553 3.683 20 30 HHEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[NH+]1CCC3(CCC3)CC1)CCCC2 ZINC000586783441 1072438198 /nfs/dbraw/zinc/43/81/98/1072438198.db2.gz LTGKRWAQBGKYGH-SFHVURJKSA-N 1 1 410.562 3.622 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000586875424 1072498762 /nfs/dbraw/zinc/49/87/62/1072498762.db2.gz QGIKOGCEZZBMHH-DHIUTWEWSA-N 1 1 414.509 3.767 20 30 HHEDMO CC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000586874866 1072499308 /nfs/dbraw/zinc/49/93/08/1072499308.db2.gz VTDYDXLMVYNKJF-MOPGFXCFSA-N 1 1 400.954 3.561 20 30 HHEDMO C[C@@](O)(C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)C(F)(F)C(F)(F)F ZINC001168331963 1072511894 /nfs/dbraw/zinc/51/18/94/1072511894.db2.gz UAWNNJMCESCGLG-CYBMUJFWSA-N 1 1 406.317 3.776 20 30 HHEDMO COc1cc(OC)c2ncc(C#N)c(Nc3cccc(C[NH+]4CCOCC4)c3)c2c1 ZINC000587543780 1072582894 /nfs/dbraw/zinc/58/28/94/1072582894.db2.gz ZYYCYJPUPFKNEG-UHFFFAOYSA-N 1 1 404.470 3.699 20 30 HHEDMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](Nc1cccc[n+]1[O-])c1ccnc2ccc(OC)cc21 ZINC001168381805 1072818538 /nfs/dbraw/zinc/81/85/38/1072818538.db2.gz IAXFJZWDEWUEBJ-DWYHVSQESA-N 1 1 416.525 3.926 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000588212786 1072914181 /nfs/dbraw/zinc/91/41/81/1072914181.db2.gz HNNIDIYBJWDXLT-JOCHJYFZSA-N 1 1 419.525 3.590 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000588212787 1072914292 /nfs/dbraw/zinc/91/42/92/1072914292.db2.gz HNNIDIYBJWDXLT-QFIPXVFZSA-N 1 1 419.525 3.590 20 30 HHEDMO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000572138414 1073201334 /nfs/dbraw/zinc/20/13/34/1073201334.db2.gz TVMCDOJFJDEGOY-RXVVDRJESA-N 1 1 422.533 3.883 20 30 HHEDMO CC(C)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000555263914 1073296280 /nfs/dbraw/zinc/29/62/80/1073296280.db2.gz DPCRRRWSLQCNEI-LJQANCHMSA-N 1 1 416.447 3.785 20 30 HHEDMO C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000555265830 1073298181 /nfs/dbraw/zinc/29/81/81/1073298181.db2.gz PEMXLFRIFSZGGE-FQEVSTJZSA-N 1 1 417.557 3.833 20 30 HHEDMO N#Cc1cc(O)cc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000589168776 1073453184 /nfs/dbraw/zinc/45/31/84/1073453184.db2.gz AYNVZPXELDLXLB-UHFFFAOYSA-N 1 1 403.404 3.677 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC3Cc4ccccc4C3)CC2)cc1 ZINC000555632394 1073688185 /nfs/dbraw/zinc/68/81/85/1073688185.db2.gz WXIWZZYPQPXQSJ-UHFFFAOYSA-N 1 1 402.542 3.581 20 30 HHEDMO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccnc1 ZINC000590599655 1073934285 /nfs/dbraw/zinc/93/42/85/1073934285.db2.gz FERLNRVJAJVEPA-FQEVSTJZSA-N 1 1 412.559 3.572 20 30 HHEDMO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000591415385 1074280776 /nfs/dbraw/zinc/28/07/76/1074280776.db2.gz ZRBLEXNRNJWBCN-NRFANRHFSA-N 1 1 404.558 3.503 20 30 HHEDMO CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591415385 1074280779 /nfs/dbraw/zinc/28/07/79/1074280779.db2.gz ZRBLEXNRNJWBCN-NRFANRHFSA-N 1 1 404.558 3.503 20 30 HHEDMO CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591415385 1074280780 /nfs/dbraw/zinc/28/07/80/1074280780.db2.gz ZRBLEXNRNJWBCN-NRFANRHFSA-N 1 1 404.558 3.503 20 30 HHEDMO N#Cc1ccc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(C(F)(F)F)c1 ZINC000573409691 1074401143 /nfs/dbraw/zinc/40/11/43/1074401143.db2.gz PUUAGQIXBOAITI-GOSISDBHSA-N 1 1 416.447 3.886 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000760898169 1074614394 /nfs/dbraw/zinc/61/43/94/1074614394.db2.gz GMCHJTUZWMNWHS-OAHLLOKOSA-N 1 1 417.575 3.691 20 30 HHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000760936513 1074699970 /nfs/dbraw/zinc/69/99/70/1074699970.db2.gz LZFMPSMMQZTQEP-AEFFLSMTSA-N 1 1 420.513 3.667 20 30 HHEDMO COc1ccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000573988234 1074749374 /nfs/dbraw/zinc/74/93/74/1074749374.db2.gz CFWGQXRKGXXBIA-WSCWJOSJSA-N 1 1 413.562 3.893 20 30 HHEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213497 1075544565 /nfs/dbraw/zinc/54/45/65/1075544565.db2.gz RPQSRBXLUYVIFC-NTKDMRAZSA-N 1 1 418.545 3.725 20 30 HHEDMO C=CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213497 1075544568 /nfs/dbraw/zinc/54/45/68/1075544568.db2.gz RPQSRBXLUYVIFC-NTKDMRAZSA-N 1 1 418.545 3.725 20 30 HHEDMO C=CCN(CC1CCCCC1)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000601682017 1075642296 /nfs/dbraw/zinc/64/22/96/1075642296.db2.gz XEKGVGDYKNPQKF-UHFFFAOYSA-N 1 1 407.562 3.772 20 30 HHEDMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)C2 ZINC001164450542 718992850 /nfs/dbraw/zinc/99/28/50/718992850.db2.gz YBZRBXSFCHJZOC-UHFFFAOYSA-N 1 1 400.820 3.739 20 30 HHEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3c(cc1C#N)CCCC3(C)C)CC2 ZINC001164655023 719317370 /nfs/dbraw/zinc/31/73/70/719317370.db2.gz UTDOEFIJOHOVBS-UHFFFAOYSA-N 1 1 406.578 3.969 20 30 HHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001164815388 720077216 /nfs/dbraw/zinc/07/72/16/720077216.db2.gz YXGAXZDGZMQWBT-SQJMNOBHSA-N 1 1 420.532 3.944 20 30 HHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001164813621 720193580 /nfs/dbraw/zinc/19/35/80/720193580.db2.gz CRLVPGFIOTXLTQ-MBSDFSHPSA-N 1 1 410.949 3.945 20 30 HHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc4ccc(C#N)cc43)CC[C@@H]21 ZINC001164840841 720531718 /nfs/dbraw/zinc/53/17/18/720531718.db2.gz UEXJELQWMMMFMI-FUDKSRODSA-N 1 1 400.530 3.681 20 30 HHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc4ccc(C#N)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840843 720532673 /nfs/dbraw/zinc/53/26/73/720532673.db2.gz UEXJELQWMMMFMI-FUPPJEDESA-N 1 1 400.530 3.681 20 30 HHEDMO 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C=CCn1c(SC[C@@H](O)C[N@H+]2CCc3ccccc3C2)nnc1-c1ccccc1 ZINC000065168237 967398035 /nfs/dbraw/zinc/39/80/35/967398035.db2.gz ATYDYJDVWFZRQN-NRFANRHFSA-N 1 1 406.555 3.642 20 30 HHEDMO C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000045381901 967442989 /nfs/dbraw/zinc/44/29/89/967442989.db2.gz FJBNAPVUGXOERV-IBGZPJMESA-N 1 1 406.530 3.502 20 30 HHEDMO C[C@@H](OC[C@H](O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000046086921 967657019 /nfs/dbraw/zinc/65/70/19/967657019.db2.gz ICAWFWLOMYDHHY-XMSQKQJNSA-N 1 1 413.949 3.862 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000046121292 967667740 /nfs/dbraw/zinc/66/77/40/967667740.db2.gz BMEAJHOZKZFGSX-UHFFFAOYSA-N 1 1 412.603 3.783 20 30 HHEDMO COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046986079 968023592 /nfs/dbraw/zinc/02/35/92/968023592.db2.gz ABHBDSABCLRPSK-QGZVFWFLSA-N 1 1 410.493 3.684 20 30 HHEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](COCc2ccccc2)c2ccccc2)c1 ZINC000538257988 1013799980 /nfs/dbraw/zinc/79/99/80/1013799980.db2.gz NHMUYMNPPNBENU-XMMPIXPASA-N 1 1 420.534 3.880 20 30 HHEDMO COc1cc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000048216995 968487878 /nfs/dbraw/zinc/48/78/78/968487878.db2.gz AHPJZCHJJVRYTB-XMMPIXPASA-N 1 1 409.530 3.760 20 30 HHEDMO COc1cc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000048216995 968487887 /nfs/dbraw/zinc/48/78/87/968487887.db2.gz AHPJZCHJJVRYTB-XMMPIXPASA-N 1 1 409.530 3.760 20 30 HHEDMO COc1ccc(S[C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048346125 968526201 /nfs/dbraw/zinc/52/62/01/968526201.db2.gz BMGMBZTXTWIFSF-GOSISDBHSA-N 1 1 409.555 3.782 20 30 HHEDMO COc1ccc(S[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048346125 968526208 /nfs/dbraw/zinc/52/62/08/968526208.db2.gz BMGMBZTXTWIFSF-GOSISDBHSA-N 1 1 409.555 3.782 20 30 HHEDMO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccc2ccccc2c1 ZINC000538273597 1013813002 /nfs/dbraw/zinc/81/30/02/1013813002.db2.gz RXLRIKXTTZHPRJ-QFIPXVFZSA-N 1 1 418.566 3.742 20 30 HHEDMO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccc2ccccc2c1 ZINC000538273597 1013813013 /nfs/dbraw/zinc/81/30/13/1013813013.db2.gz RXLRIKXTTZHPRJ-QFIPXVFZSA-N 1 1 418.566 3.742 20 30 HHEDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(F)cc1 ZINC000538281159 1013818998 /nfs/dbraw/zinc/81/89/98/1013818998.db2.gz YRKCWEITAWQQGC-BEFAXECRSA-N 1 1 401.507 3.993 20 30 HHEDMO N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078994832 969027232 /nfs/dbraw/zinc/02/72/32/969027232.db2.gz UWJLXZHYVXXQMF-IBGZPJMESA-N 1 1 421.566 3.894 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3nn(-c4ccccc4)c4c3CCC4)CC2)cc1 ZINC000109390272 969510755 /nfs/dbraw/zinc/51/07/55/969510755.db2.gz BOVLZXJOCJFBBA-UHFFFAOYSA-N 1 1 411.553 3.941 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000110298560 969650107 /nfs/dbraw/zinc/65/01/07/969650107.db2.gz GBWLTLORLWCKNY-QHCPKHFHSA-N 1 1 400.482 3.883 20 30 HHEDMO C[C@@H]1C[N@H+](CC2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)CC2)C[C@H](C)O1 ZINC000110991025 969755364 /nfs/dbraw/zinc/75/53/64/969755364.db2.gz GPSAYGSZSYHBHO-BGYRXZFFSA-N 1 1 422.573 3.559 20 30 HHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111040531 969765368 /nfs/dbraw/zinc/76/53/68/969765368.db2.gz RYARRNGSQUJUEM-INIZCTEOSA-N 1 1 405.477 3.979 20 30 HHEDMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1Cl ZINC000116402076 969891644 /nfs/dbraw/zinc/89/16/44/969891644.db2.gz ZOFROVFUHUTTGM-UHFFFAOYSA-N 1 1 410.905 3.809 20 30 HHEDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000116603945 969908522 /nfs/dbraw/zinc/90/85/22/969908522.db2.gz SNCNTFOFAKUGST-UHFFFAOYSA-N 1 1 413.481 3.640 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000116603945 969908524 /nfs/dbraw/zinc/90/85/24/969908524.db2.gz SNCNTFOFAKUGST-UHFFFAOYSA-N 1 1 413.481 3.640 20 30 HHEDMO C=CCn1c(-c2cccnc2)nn(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1=S 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DDLCSNYPNBUSBT-UHFFFAOYSA-N 1 1 418.570 3.851 20 30 HHEDMO C[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](c2ccccc2)C1 ZINC000255953588 970605892 /nfs/dbraw/zinc/60/58/92/970605892.db2.gz CYENJJSSDMSWBP-FQEVSTJZSA-N 1 1 408.571 3.816 20 30 HHEDMO CN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](c2ccccc2)C1 ZINC000255953588 970605899 /nfs/dbraw/zinc/60/58/99/970605899.db2.gz CYENJJSSDMSWBP-FQEVSTJZSA-N 1 1 408.571 3.816 20 30 HHEDMO CN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](c2ccccc2)C1 ZINC000255953588 970605904 /nfs/dbraw/zinc/60/59/04/970605904.db2.gz CYENJJSSDMSWBP-FQEVSTJZSA-N 1 1 408.571 3.816 20 30 HHEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000303952274 972534677 /nfs/dbraw/zinc/53/46/77/972534677.db2.gz UBYNDTTVHZCLQY-UHFFFAOYSA-N 1 1 403.482 3.673 20 30 HHEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cc1ccc(OCC#N)cc1 ZINC000303952274 972534683 /nfs/dbraw/zinc/53/46/83/972534683.db2.gz UBYNDTTVHZCLQY-UHFFFAOYSA-N 1 1 403.482 3.673 20 30 HHEDMO Cc1ccc(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)c(Br)c1 ZINC000554744887 1014036403 /nfs/dbraw/zinc/03/64/03/1014036403.db2.gz ATMGZOPZTDOGBJ-UHFFFAOYSA-N 1 1 416.319 3.716 20 30 HHEDMO Cc1ccc(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(Br)c1 ZINC000554744887 1014036408 /nfs/dbraw/zinc/03/64/08/1014036408.db2.gz ATMGZOPZTDOGBJ-UHFFFAOYSA-N 1 1 416.319 3.716 20 30 HHEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379703629 972772717 /nfs/dbraw/zinc/77/27/17/972772717.db2.gz FYXSSCKRLLLQIA-YJBOKZPZSA-N 1 1 403.935 3.543 20 30 HHEDMO N#Cc1cccc(-n2ccc(C(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)n2)c1 ZINC000409453718 972897331 /nfs/dbraw/zinc/89/73/31/972897331.db2.gz QCMBZGYXKVLBMQ-JOCHJYFZSA-N 1 1 419.916 3.964 20 30 HHEDMO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000409492344 972943033 /nfs/dbraw/zinc/94/30/33/972943033.db2.gz PVRUQMQRSONJCY-ZIAGYGMSSA-N 1 1 415.481 3.508 20 30 HHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000409518130 972972965 /nfs/dbraw/zinc/97/29/65/972972965.db2.gz KPPGCMFPRVSKJG-IAGOWNOFSA-N 1 1 410.331 3.913 20 30 HHEDMO N#Cc1cccc(NC(=O)CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000554843892 1014072048 /nfs/dbraw/zinc/07/20/48/1014072048.db2.gz RDBSLILAHKXMEH-LOSJGSFVSA-N 1 1 410.521 3.755 20 30 HHEDMO N#Cc1cccc(NC(=O)CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000554843892 1014072050 /nfs/dbraw/zinc/07/20/50/1014072050.db2.gz RDBSLILAHKXMEH-LOSJGSFVSA-N 1 1 410.521 3.755 20 30 HHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000409562503 973015428 /nfs/dbraw/zinc/01/54/28/973015428.db2.gz RDIOUQMHPQBBHY-LZWOXQAQSA-N 1 1 415.481 3.603 20 30 HHEDMO COc1cccc([C@@H]2[C@@H](Nc3ccc(C(F)(F)F)c(C#N)n3)CC[N@H+]2C2CC2)c1 ZINC000409735624 973210768 /nfs/dbraw/zinc/21/07/68/973210768.db2.gz YLWHCKPXDSSGRU-FXAWDEMLSA-N 1 1 402.420 4.371 20 30 HHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000409811708 973285568 /nfs/dbraw/zinc/28/55/68/973285568.db2.gz XNOKUUQNRZTKAU-GOSISDBHSA-N 1 1 422.529 3.888 20 30 HHEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000409811708 973285575 /nfs/dbraw/zinc/28/55/75/973285575.db2.gz XNOKUUQNRZTKAU-GOSISDBHSA-N 1 1 422.529 3.888 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CC2(O)CCCCCC2)c1C#N ZINC000426208130 974313180 /nfs/dbraw/zinc/31/31/80/974313180.db2.gz YZLOBGRLPBNPPO-UHFFFAOYSA-N 1 1 412.534 3.574 20 30 HHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000426784425 974657548 /nfs/dbraw/zinc/65/75/48/974657548.db2.gz MHPAWMYGCMKQMY-AVRDEDQJSA-N 1 1 417.525 3.511 20 30 HHEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000427310040 975043051 /nfs/dbraw/zinc/04/30/51/975043051.db2.gz XFGZCLBPNHXOFA-KDURUIRLSA-N 1 1 415.603 3.529 20 30 HHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000428376280 975698549 /nfs/dbraw/zinc/69/85/49/975698549.db2.gz 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/nfs/dbraw/zinc/10/50/50/983105050.db2.gz DRHUHHSERAPGBY-BJKOFHAPSA-N 1 1 419.573 3.709 20 30 HHEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3ccc(C#N)cc3C)CC2)c1C ZINC000439074500 983238175 /nfs/dbraw/zinc/23/81/75/983238175.db2.gz DMTMHZWZSLTOFA-UHFFFAOYSA-N 1 1 406.530 3.624 20 30 HHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000439454648 983417743 /nfs/dbraw/zinc/41/77/43/983417743.db2.gz OGHCUXMMCQXNAZ-MSOLQXFVSA-N 1 1 416.591 3.646 20 30 HHEDMO C[C@@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)C(=O)NC1(C#N)CCCCC1 ZINC000439598796 983465921 /nfs/dbraw/zinc/46/59/21/983465921.db2.gz SXXLGHHVNHRXAG-LJQANCHMSA-N 1 1 408.546 3.732 20 30 HHEDMO CCCc1c(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439678360 983497707 /nfs/dbraw/zinc/49/77/07/983497707.db2.gz OALQWHPPJLMGIM-ZWKOTPCHSA-N 1 1 408.550 3.938 20 30 HHEDMO N#CC1CCC(CNC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000441005548 984018832 /nfs/dbraw/zinc/01/88/32/984018832.db2.gz ZSQFVRYSNDSBQL-UHFFFAOYSA-N 1 1 421.545 3.935 20 30 HHEDMO N#CC1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000441012738 984022025 /nfs/dbraw/zinc/02/20/25/984022025.db2.gz RRNORHOLGPYFIH-RJYAGPCLSA-N 1 1 408.468 3.909 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000441036489 984035812 /nfs/dbraw/zinc/03/58/12/984035812.db2.gz SITSNMMLNDGJOD-FDDCHVKYSA-N 1 1 407.514 3.656 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000441036489 984035816 /nfs/dbraw/zinc/03/58/16/984035816.db2.gz SITSNMMLNDGJOD-FDDCHVKYSA-N 1 1 407.514 3.656 20 30 HHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441063565 984050871 /nfs/dbraw/zinc/05/08/71/984050871.db2.gz MFFCCIKSMISIFI-IIYDPXPESA-N 1 1 402.486 3.784 20 30 HHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441063565 984050879 /nfs/dbraw/zinc/05/08/79/984050879.db2.gz MFFCCIKSMISIFI-IIYDPXPESA-N 1 1 402.486 3.784 20 30 HHEDMO CS[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000441133128 984083743 /nfs/dbraw/zinc/08/37/43/984083743.db2.gz GXMWCEVSMGLYSO-SFHVURJKSA-N 1 1 400.548 3.774 20 30 HHEDMO CS[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000441133128 984083747 /nfs/dbraw/zinc/08/37/47/984083747.db2.gz GXMWCEVSMGLYSO-SFHVURJKSA-N 1 1 400.548 3.774 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441407016 984236157 /nfs/dbraw/zinc/23/61/57/984236157.db2.gz ZBOOSHALJMXFPZ-HFMPRLQTSA-N 1 1 408.590 3.887 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 ZINC000441646513 984372470 /nfs/dbraw/zinc/37/24/70/984372470.db2.gz KUFUFBNXMWWOTQ-CYBMUJFWSA-N 1 1 407.861 3.522 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000441693548 984399875 /nfs/dbraw/zinc/39/98/75/984399875.db2.gz UYQFPOAWZRJKIX-CYBMUJFWSA-N 1 1 407.861 3.522 20 30 HHEDMO N#Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1OC(F)(F)F ZINC000442209689 984728995 /nfs/dbraw/zinc/72/89/95/984728995.db2.gz SMXUOIHGFKJUBK-DYVFJYSZSA-N 1 1 408.424 3.937 20 30 HHEDMO C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000442326064 984828279 /nfs/dbraw/zinc/82/82/79/984828279.db2.gz NPWNLDCMRFCZGI-UHFFFAOYSA-N 1 1 422.504 3.717 20 30 HHEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C[C@@H]1C ZINC000461850002 984862957 /nfs/dbraw/zinc/86/29/57/984862957.db2.gz KCQMAXZHCYPWJJ-YUXAGFNASA-N 1 1 422.577 3.695 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000462177818 985157260 /nfs/dbraw/zinc/15/72/60/985157260.db2.gz BBVOCPRBAAGFKI-WZONZLPQSA-N 1 1 415.493 3.981 20 30 HHEDMO COc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)ccc1C#N ZINC000442853691 985247236 /nfs/dbraw/zinc/24/72/36/985247236.db2.gz VDBWRUCZWVKQCF-HXUWFJFHSA-N 1 1 415.497 3.922 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1cccs1 ZINC000462304675 985290912 /nfs/dbraw/zinc/29/09/12/985290912.db2.gz XTNDNEQUYSSVBK-UGSOOPFHSA-N 1 1 409.964 3.635 20 30 HHEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000443379923 985539985 /nfs/dbraw/zinc/53/99/85/985539985.db2.gz ZLQCPAZPYUTYKQ-KXBFYZLASA-N 1 1 403.935 3.543 20 30 HHEDMO N#Cc1ccc(CN2CCC[N@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000443465501 985639741 /nfs/dbraw/zinc/63/97/41/985639741.db2.gz HTMYKRRDVVQKFZ-NRFANRHFSA-N 1 1 417.475 3.688 20 30 HHEDMO Cn1cc(Br)cc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000468105380 985765931 /nfs/dbraw/zinc/76/59/31/985765931.db2.gz YJIVSCOXKNOZDV-UHFFFAOYSA-N 1 1 421.364 3.670 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000443607703 985787155 /nfs/dbraw/zinc/78/71/55/985787155.db2.gz UZGIKLHMTWSWCE-PWRODBHTSA-N 1 1 421.459 3.982 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000443607703 985787164 /nfs/dbraw/zinc/78/71/64/985787164.db2.gz UZGIKLHMTWSWCE-PWRODBHTSA-N 1 1 421.459 3.982 20 30 HHEDMO COc1ccccc1[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[NH+]1CCCC1 ZINC000468253905 985953989 /nfs/dbraw/zinc/95/39/89/985953989.db2.gz RKLPRAULQYTSOG-OAQYLSRUSA-N 1 1 416.481 3.789 20 30 HHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)ccc1F ZINC000468277599 985977500 /nfs/dbraw/zinc/97/75/00/985977500.db2.gz FWFBSNXMNIWKRO-CQSZACIVSA-N 1 1 417.282 3.706 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000463024038 985983179 /nfs/dbraw/zinc/98/31/79/985983179.db2.gz WCEQNFLFEWNABY-CYFREDJKSA-N 1 1 418.541 3.632 20 30 HHEDMO Cn1cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000463045731 986005468 /nfs/dbraw/zinc/00/54/68/986005468.db2.gz XKRUXXQGCDSEMX-VWLOTQADSA-N 1 1 400.526 3.776 20 30 HHEDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000443891385 986091218 /nfs/dbraw/zinc/09/12/18/986091218.db2.gz GEOLFHZVCMBBSN-JXFKEZNVSA-N 1 1 421.925 3.631 20 30 HHEDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000443891385 986091234 /nfs/dbraw/zinc/09/12/34/986091234.db2.gz GEOLFHZVCMBBSN-JXFKEZNVSA-N 1 1 421.925 3.631 20 30 HHEDMO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1C#N ZINC000443910227 986109378 /nfs/dbraw/zinc/10/93/78/986109378.db2.gz URAXZGFBDZICGE-HSZRJFAPSA-N 1 1 409.555 3.544 20 30 HHEDMO N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1 ZINC000463214344 986186164 /nfs/dbraw/zinc/18/61/64/986186164.db2.gz PKUFGKRJOVQGSO-NJYVYQBISA-N 1 1 403.954 3.992 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(OC)c1 ZINC000463217738 986189092 /nfs/dbraw/zinc/18/90/92/986189092.db2.gz GEHQNPIVSFHNKG-CIAFKFPVSA-N 1 1 403.563 3.569 20 30 HHEDMO COc1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000463232532 986200478 /nfs/dbraw/zinc/20/04/78/986200478.db2.gz GLJQSBLQYPCYQB-IBGZPJMESA-N 1 1 402.441 3.595 20 30 HHEDMO COc1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)ccc1OCc1cccc(C#N)c1 ZINC000463232532 986200490 /nfs/dbraw/zinc/20/04/90/986200490.db2.gz GLJQSBLQYPCYQB-IBGZPJMESA-N 1 1 402.441 3.595 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463429891 986401363 /nfs/dbraw/zinc/40/13/63/986401363.db2.gz LOPHOSPGLLSRIH-BWKNWUBXSA-N 1 1 405.542 3.639 20 30 HHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463440118 986417436 /nfs/dbraw/zinc/41/74/36/986417436.db2.gz MXYSGXRGIINRRD-NJDJKUROSA-N 1 1 411.590 3.623 20 30 HHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444244121 986436940 /nfs/dbraw/zinc/43/69/40/986436940.db2.gz PJKLKQBWDYJFIV-QGZVFWFLSA-N 1 1 418.459 3.745 20 30 HHEDMO C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O ZINC000444555920 986747860 /nfs/dbraw/zinc/74/78/60/986747860.db2.gz UHZZWXNZVKCIQN-GOSISDBHSA-N 1 1 423.582 3.768 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000444592675 986779191 /nfs/dbraw/zinc/77/91/91/986779191.db2.gz GQACKGWXOGQVPT-GOSISDBHSA-N 1 1 414.513 3.645 20 30 HHEDMO N#CC(CC[N@H+]1CCC[C@H](CN2CCOCC2)C1)(c1ccccc1)c1ccccc1 ZINC000444648355 986832878 /nfs/dbraw/zinc/83/28/78/986832878.db2.gz JIIXPRKXXACOMX-QHCPKHFHSA-N 1 1 403.570 3.931 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444649526 986832954 /nfs/dbraw/zinc/83/29/54/986832954.db2.gz KPTHJCAOWKZSKO-OAQYLSRUSA-N 1 1 422.536 3.759 20 30 HHEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444649526 986832961 /nfs/dbraw/zinc/83/29/61/986832961.db2.gz KPTHJCAOWKZSKO-OAQYLSRUSA-N 1 1 422.536 3.759 20 30 HHEDMO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1 ZINC000444681291 986861917 /nfs/dbraw/zinc/86/19/17/986861917.db2.gz 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HHEDMO Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000510507444 1004629441 /nfs/dbraw/zinc/62/94/41/1004629441.db2.gz ZYABKFTWMMSAPG-UHFFFAOYSA-N 1 1 408.424 3.585 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC(=O)Nc1ccccc1SCC#N ZINC000501810878 1004751530 /nfs/dbraw/zinc/75/15/30/1004751530.db2.gz CZXYJUMPYCVJQJ-RTBURBONSA-N 1 1 408.571 3.836 20 30 HHEDMO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)c1C ZINC000510623932 1004760947 /nfs/dbraw/zinc/76/09/47/1004760947.db2.gz DBZOPKHUXBAFBF-UHFFFAOYSA-N 1 1 418.444 3.678 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@]3(CCc4ccccc43)C1)CCC2 ZINC000510698936 1004805286 /nfs/dbraw/zinc/80/52/86/1004805286.db2.gz ADYDTLCSJOXTJH-QHCPKHFHSA-N 1 1 407.539 3.611 20 30 HHEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@]3(CCc4ccccc43)C1)CCC2 ZINC000510698936 1004805288 /nfs/dbraw/zinc/80/52/88/1004805288.db2.gz ADYDTLCSJOXTJH-QHCPKHFHSA-N 1 1 407.539 3.611 20 30 HHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510802617 1004861915 /nfs/dbraw/zinc/86/19/15/1004861915.db2.gz HEQCMMMUBAVDFH-RBUKOAKNSA-N 1 1 415.582 3.770 20 30 HHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510802617 1004861923 /nfs/dbraw/zinc/86/19/23/1004861923.db2.gz HEQCMMMUBAVDFH-RBUKOAKNSA-N 1 1 415.582 3.770 20 30 HHEDMO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000502163266 1004931720 /nfs/dbraw/zinc/93/17/20/1004931720.db2.gz CDERWNOIOQRSPF-INIZCTEOSA-N 1 1 422.554 3.958 20 30 HHEDMO CCOC(=O)C(C)(C)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000510922823 1004934469 /nfs/dbraw/zinc/93/44/69/1004934469.db2.gz WXBWPQDQXKXUBF-AWEZNQCLSA-N 1 1 405.926 3.840 20 30 HHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000513392492 1004940575 /nfs/dbraw/zinc/94/05/75/1004940575.db2.gz ROWYTEXAEWELFP-TZIWHRDSSA-N 1 1 407.514 3.874 20 30 HHEDMO COc1ccccc1O[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000513392492 1004940580 /nfs/dbraw/zinc/94/05/80/1004940580.db2.gz ROWYTEXAEWELFP-TZIWHRDSSA-N 1 1 407.514 3.874 20 30 HHEDMO COc1ccnc(N2CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)c1 ZINC000513406643 1004949074 /nfs/dbraw/zinc/94/90/74/1004949074.db2.gz VMBHPTMOSDQFFO-UHFFFAOYSA-N 1 1 414.509 3.863 20 30 HHEDMO CC[NH+]1CCN(CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000511033254 1004989964 /nfs/dbraw/zinc/98/99/64/1004989964.db2.gz YLDLTBKBRHHHEQ-UHFFFAOYSA-N 1 1 420.557 3.692 20 30 HHEDMO Cc1cc(Cl)ccc1CN1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000511096142 1005017191 /nfs/dbraw/zinc/01/71/91/1005017191.db2.gz YZXJUGFHAOJFCX-UHFFFAOYSA-N 1 1 402.951 3.728 20 30 HHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502347173 1005026028 /nfs/dbraw/zinc/02/60/28/1005026028.db2.gz FQTURVGPZQDWDQ-QUCCMNQESA-N 1 1 423.561 3.655 20 30 HHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502347173 1005026035 /nfs/dbraw/zinc/02/60/35/1005026035.db2.gz FQTURVGPZQDWDQ-QUCCMNQESA-N 1 1 423.561 3.655 20 30 HHEDMO COCC[N@@H+](C)CC[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccccc1 ZINC000511204231 1005072792 /nfs/dbraw/zinc/07/27/92/1005072792.db2.gz VCDYJWOTKGDFOV-QFIPXVFZSA-N 1 1 411.521 3.801 20 30 HHEDMO N#C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513671739 1005076383 /nfs/dbraw/zinc/07/63/83/1005076383.db2.gz LRWZYDSXKOHDLF-NLFFAJNJSA-N 1 1 410.477 3.506 20 30 HHEDMO N#C[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513671739 1005076388 /nfs/dbraw/zinc/07/63/88/1005076388.db2.gz LRWZYDSXKOHDLF-NLFFAJNJSA-N 1 1 410.477 3.506 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511237042 1005085741 /nfs/dbraw/zinc/08/57/41/1005085741.db2.gz VRUZGWAGYGXIDP-BGYRXZFFSA-N 1 1 412.578 3.869 20 30 HHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511240726 1005086899 /nfs/dbraw/zinc/08/68/99/1005086899.db2.gz IITKPNWNLCZUHG-UGKGYDQZSA-N 1 1 418.541 3.947 20 30 HHEDMO C=CCc1cc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(OC)c1OC ZINC000511246749 1005089539 /nfs/dbraw/zinc/08/95/39/1005089539.db2.gz DXHLZAUNVKIHNF-YLJYHZDGSA-N 1 1 415.578 3.885 20 30 HHEDMO Cc1nc(SCC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c(C)c1C ZINC000511252054 1005092157 /nfs/dbraw/zinc/09/21/57/1005092157.db2.gz KKZUIEYVJUXXAN-ROUUACIJSA-N 1 1 400.592 3.740 20 30 HHEDMO COc1ccc([C@@H](NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000502498884 1005093339 /nfs/dbraw/zinc/09/33/39/1005093339.db2.gz ASUJQHFFKQLAJQ-VWLOTQADSA-N 1 1 401.510 3.923 20 30 HHEDMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000502498884 1005093346 /nfs/dbraw/zinc/09/33/46/1005093346.db2.gz ASUJQHFFKQLAJQ-VWLOTQADSA-N 1 1 401.510 3.923 20 30 HHEDMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1OC ZINC000502507480 1005095948 /nfs/dbraw/zinc/09/59/48/1005095948.db2.gz OIUANJZAWWCIGU-SFHVURJKSA-N 1 1 419.525 3.850 20 30 HHEDMO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1OC ZINC000502507480 1005095953 /nfs/dbraw/zinc/09/59/53/1005095953.db2.gz OIUANJZAWWCIGU-SFHVURJKSA-N 1 1 419.525 3.850 20 30 HHEDMO C[C@@H](OCCCNC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502554109 1005116453 /nfs/dbraw/zinc/11/64/53/1005116453.db2.gz PHDRIDCGPPCTSP-HXUWFJFHSA-N 1 1 403.526 3.931 20 30 HHEDMO C[C@@H](OCCCNC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502554109 1005116456 /nfs/dbraw/zinc/11/64/56/1005116456.db2.gz PHDRIDCGPPCTSP-HXUWFJFHSA-N 1 1 403.526 3.931 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000511353833 1005136044 /nfs/dbraw/zinc/13/60/44/1005136044.db2.gz RHJUBIWUROYBEY-QHCPKHFHSA-N 1 1 420.557 3.807 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCN(c3cncc(SCc4ccccc4)n3)CC2)cc1 ZINC000514202314 1005310396 /nfs/dbraw/zinc/31/03/96/1005310396.db2.gz VSQTYHPPTFAOFJ-UHFFFAOYSA-N 1 1 401.539 3.963 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000514247731 1005332154 /nfs/dbraw/zinc/33/21/54/1005332154.db2.gz FLRLVZGXMQHIEX-JOCHJYFZSA-N 1 1 419.573 3.505 20 30 HHEDMO C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000503140167 1005355811 /nfs/dbraw/zinc/35/58/11/1005355811.db2.gz SBUAKVAHPZPPFN-LJFZDNNRSA-N 1 1 413.562 3.760 20 30 HHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000503280107 1005382818 /nfs/dbraw/zinc/38/28/18/1005382818.db2.gz IPWUIRQIYHNBMQ-HXUWFJFHSA-N 1 1 420.513 3.670 20 30 HHEDMO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000503339333 1005393496 /nfs/dbraw/zinc/39/34/96/1005393496.db2.gz PVIMYEZYTTXJBS-QFIPXVFZSA-N 1 1 413.525 3.647 20 30 HHEDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC000503406961 1005410723 /nfs/dbraw/zinc/41/07/23/1005410723.db2.gz PGMJVHZZXMWZAG-FYINFDKHSA-N 1 1 405.564 3.509 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503429848 1005417917 /nfs/dbraw/zinc/41/79/17/1005417917.db2.gz BLLRCFMWVXXPNK-JKSUJKDBSA-N 1 1 423.586 3.848 20 30 HHEDMO N#Cc1ccc(CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000503747625 1005488841 /nfs/dbraw/zinc/48/88/41/1005488841.db2.gz LRSQSLYLYLWQSE-HSZRJFAPSA-N 1 1 402.542 3.797 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000504073526 1005546486 /nfs/dbraw/zinc/54/64/86/1005546486.db2.gz BDTLDUFPWXTKJU-HOYKHHGWSA-N 1 1 413.562 3.939 20 30 HHEDMO COc1ccccc1[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000504078223 1005547787 /nfs/dbraw/zinc/54/77/87/1005547787.db2.gz BZHRGGVQMLQHKR-QFIPXVFZSA-N 1 1 404.514 3.668 20 30 HHEDMO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000504421865 1005624576 /nfs/dbraw/zinc/62/45/76/1005624576.db2.gz MNVRTPOPDJAPCI-GOSISDBHSA-N 1 1 407.514 3.776 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534087507 1006061143 /nfs/dbraw/zinc/06/11/43/1006061143.db2.gz OGKOQDNLXAQNNE-HOJAQTOUSA-N 1 1 424.570 3.695 20 30 HHEDMO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1OCC ZINC000531564649 1006275455 /nfs/dbraw/zinc/27/54/55/1006275455.db2.gz GQEXKNBBBIJRHN-OAHLLOKOSA-N 1 1 406.324 3.783 20 30 HHEDMO C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000534384199 1006356852 /nfs/dbraw/zinc/35/68/52/1006356852.db2.gz KWLQHHQDYULJNK-OFAXGOBFSA-N 1 1 411.594 3.598 20 30 HHEDMO CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356261 1006414704 /nfs/dbraw/zinc/41/47/04/1006414704.db2.gz HLOFLPBQKSAEHB-RTWAWAEBSA-N 1 1 418.585 3.894 20 30 HHEDMO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356261 1006414709 /nfs/dbraw/zinc/41/47/09/1006414709.db2.gz HLOFLPBQKSAEHB-RTWAWAEBSA-N 1 1 418.585 3.894 20 30 HHEDMO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356261 1006414713 /nfs/dbraw/zinc/41/47/13/1006414713.db2.gz HLOFLPBQKSAEHB-RTWAWAEBSA-N 1 1 418.585 3.894 20 30 HHEDMO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356260 1006414952 /nfs/dbraw/zinc/41/49/52/1006414952.db2.gz HLOFLPBQKSAEHB-NHCUHLMSSA-N 1 1 418.585 3.894 20 30 HHEDMO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356260 1006414970 /nfs/dbraw/zinc/41/49/70/1006414970.db2.gz HLOFLPBQKSAEHB-NHCUHLMSSA-N 1 1 418.585 3.894 20 30 HHEDMO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356260 1006414980 /nfs/dbraw/zinc/41/49/80/1006414980.db2.gz HLOFLPBQKSAEHB-NHCUHLMSSA-N 1 1 418.585 3.894 20 30 HHEDMO Cc1nc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)ccc1C#N ZINC000515936747 1006777003 /nfs/dbraw/zinc/77/70/03/1006777003.db2.gz XXYCNCWYYPOMOZ-UHFFFAOYSA-N 1 1 402.420 3.675 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)Cn1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000538531269 1006791952 /nfs/dbraw/zinc/79/19/52/1006791952.db2.gz LPIMPHQBGNVCPR-UHFFFAOYSA-N 1 1 419.481 3.761 20 30 HHEDMO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000516019557 1006834136 /nfs/dbraw/zinc/83/41/36/1006834136.db2.gz QUYIIDXINIQOAU-UHFFFAOYSA-N 1 1 418.541 3.920 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1Cl ZINC000534838387 1006854017 /nfs/dbraw/zinc/85/40/17/1006854017.db2.gz CBGZWFOFRAMQCZ-OALUTQOASA-N 1 1 421.994 3.882 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)ccc1Cl ZINC000534838387 1006854021 /nfs/dbraw/zinc/85/40/21/1006854021.db2.gz CBGZWFOFRAMQCZ-OALUTQOASA-N 1 1 421.994 3.882 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)ccc1Cl ZINC000534838386 1006854490 /nfs/dbraw/zinc/85/44/90/1006854490.db2.gz CBGZWFOFRAMQCZ-MOPGFXCFSA-N 1 1 421.994 3.882 20 30 HHEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)ccc1Cl ZINC000534838386 1006854513 /nfs/dbraw/zinc/85/45/13/1006854513.db2.gz CBGZWFOFRAMQCZ-MOPGFXCFSA-N 1 1 421.994 3.882 20 30 HHEDMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532409868 1006855346 /nfs/dbraw/zinc/85/53/46/1006855346.db2.gz JWVUIEJCPVBOED-INIZCTEOSA-N 1 1 413.468 3.899 20 30 HHEDMO CC(C)CCOC1CC[NH+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000532492903 1006934055 /nfs/dbraw/zinc/93/40/55/1006934055.db2.gz WPPXABQJMDJSIN-UHFFFAOYSA-N 1 1 410.480 3.700 20 30 HHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000534915132 1006949893 /nfs/dbraw/zinc/94/98/93/1006949893.db2.gz KGGKVTVYWWNSOK-SFHVURJKSA-N 1 1 417.513 3.502 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](C)O)c1C#N ZINC000532570547 1007001095 /nfs/dbraw/zinc/00/10/95/1007001095.db2.gz HGALDBATLTWWJW-KRWDZBQOSA-N 1 1 408.546 3.913 20 30 HHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1C#N ZINC000532570547 1007001105 /nfs/dbraw/zinc/00/11/05/1007001105.db2.gz HGALDBATLTWWJW-KRWDZBQOSA-N 1 1 408.546 3.913 20 30 HHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000532584737 1007020945 /nfs/dbraw/zinc/02/09/45/1007020945.db2.gz SNPGWIVHIYJDMU-MRXNPFEDSA-N 1 1 407.905 3.899 20 30 HHEDMO CCc1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)s1 ZINC000532586145 1007021959 /nfs/dbraw/zinc/02/19/59/1007021959.db2.gz VTKKSQVERCELSR-HNNXBMFYSA-N 1 1 400.548 3.537 20 30 HHEDMO N#Cc1ccc(C[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)Cc2cccc(F)c2)cc1 ZINC000532656364 1007073161 /nfs/dbraw/zinc/07/31/61/1007073161.db2.gz XQALGVQVQNGWCN-UHFFFAOYSA-N 1 1 420.488 3.564 20 30 HHEDMO N#Cc1ccc(C[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)Cc2cccc(F)c2)cc1 ZINC000532656364 1007073174 /nfs/dbraw/zinc/07/31/74/1007073174.db2.gz XQALGVQVQNGWCN-UHFFFAOYSA-N 1 1 420.488 3.564 20 30 HHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000532715581 1007127650 /nfs/dbraw/zinc/12/76/50/1007127650.db2.gz XVLYVMAAUBJEBA-LJQANCHMSA-N 1 1 422.554 3.564 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000532716441 1007128698 /nfs/dbraw/zinc/12/86/98/1007128698.db2.gz QHEQJGPODTZTDO-MJGOQNOKSA-N 1 1 402.560 3.938 20 30 HHEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000535207626 1007256072 /nfs/dbraw/zinc/25/60/72/1007256072.db2.gz RIWBCBLZFBZIQA-NRFANRHFSA-N 1 1 401.514 3.756 20 30 HHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532925506 1007296883 /nfs/dbraw/zinc/29/68/83/1007296883.db2.gz QLSOUIQYYCDZHP-UHFFFAOYSA-N 1 1 409.287 3.517 20 30 HHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532925506 1007296893 /nfs/dbraw/zinc/29/68/93/1007296893.db2.gz QLSOUIQYYCDZHP-UHFFFAOYSA-N 1 1 409.287 3.517 20 30 HHEDMO N#Cc1ccc(CN2CCC[N@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000532986106 1007356574 /nfs/dbraw/zinc/35/65/74/1007356574.db2.gz AFLZICRDCPVBCZ-QFIPXVFZSA-N 1 1 417.475 3.688 20 30 HHEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000535323432 1007376254 /nfs/dbraw/zinc/37/62/54/1007376254.db2.gz SWGKTZWGRSVPKU-HXUWFJFHSA-N 1 1 403.511 3.914 20 30 HHEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000535323432 1007376266 /nfs/dbraw/zinc/37/62/66/1007376266.db2.gz SWGKTZWGRSVPKU-HXUWFJFHSA-N 1 1 403.511 3.914 20 30 HHEDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1 ZINC000533025150 1007385601 /nfs/dbraw/zinc/38/56/01/1007385601.db2.gz NSTCSELJBFRUMH-HXUWFJFHSA-N 1 1 401.432 3.714 20 30 HHEDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1 ZINC000533025150 1007385612 /nfs/dbraw/zinc/38/56/12/1007385612.db2.gz NSTCSELJBFRUMH-HXUWFJFHSA-N 1 1 401.432 3.714 20 30 HHEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000535356910 1007414101 /nfs/dbraw/zinc/41/41/01/1007414101.db2.gz ZRVFIAZEUNUXNX-MRXNPFEDSA-N 1 1 408.477 3.957 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000535356910 1007414109 /nfs/dbraw/zinc/41/41/09/1007414109.db2.gz ZRVFIAZEUNUXNX-MRXNPFEDSA-N 1 1 408.477 3.957 20 30 HHEDMO CCC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1COc2ccccc2O1 ZINC000533243661 1007563783 /nfs/dbraw/zinc/56/37/83/1007563783.db2.gz VFLUVTMDLPYPDJ-QGZVFWFLSA-N 1 1 411.527 3.793 20 30 HHEDMO CCC[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1COc2ccccc2O1 ZINC000533243661 1007563791 /nfs/dbraw/zinc/56/37/91/1007563791.db2.gz VFLUVTMDLPYPDJ-QGZVFWFLSA-N 1 1 411.527 3.793 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000533250971 1007569715 /nfs/dbraw/zinc/56/97/15/1007569715.db2.gz MBPKZVVESQPMOJ-OAQYLSRUSA-N 1 1 403.461 3.529 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000533250971 1007569725 /nfs/dbraw/zinc/56/97/25/1007569725.db2.gz MBPKZVVESQPMOJ-OAQYLSRUSA-N 1 1 403.461 3.529 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000533252150 1007570547 /nfs/dbraw/zinc/57/05/47/1007570547.db2.gz LQJPMTGHEYMYQA-OAQYLSRUSA-N 1 1 403.461 3.529 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000533252150 1007570558 /nfs/dbraw/zinc/57/05/58/1007570558.db2.gz LQJPMTGHEYMYQA-OAQYLSRUSA-N 1 1 403.461 3.529 20 30 HHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000533293042 1007607344 /nfs/dbraw/zinc/60/73/44/1007607344.db2.gz KBQVXGGYDRBJJG-KXBFYZLASA-N 1 1 406.368 3.855 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000533303689 1007621140 /nfs/dbraw/zinc/62/11/40/1007621140.db2.gz ODLABCUJLUCDFM-QGZVFWFLSA-N 1 1 405.889 3.825 20 30 HHEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000533303689 1007621145 /nfs/dbraw/zinc/62/11/45/1007621145.db2.gz ODLABCUJLUCDFM-QGZVFWFLSA-N 1 1 405.889 3.825 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000533370672 1007680819 /nfs/dbraw/zinc/68/08/19/1007680819.db2.gz PLBZOFLBDNTKJV-GOSISDBHSA-N 1 1 419.460 3.956 20 30 HHEDMO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000533397469 1007709424 /nfs/dbraw/zinc/70/94/24/1007709424.db2.gz QQLMQRMSGHTXIT-ROUUACIJSA-N 1 1 416.591 3.648 20 30 HHEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000533397469 1007709429 /nfs/dbraw/zinc/70/94/29/1007709429.db2.gz QQLMQRMSGHTXIT-ROUUACIJSA-N 1 1 416.591 3.648 20 30 HHEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535692351 1007727640 /nfs/dbraw/zinc/72/76/40/1007727640.db2.gz BSZZJBYICPQOIR-JXFKEZNVSA-N 1 1 421.925 3.631 20 30 HHEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535692351 1007727652 /nfs/dbraw/zinc/72/76/52/1007727652.db2.gz BSZZJBYICPQOIR-JXFKEZNVSA-N 1 1 421.925 3.631 20 30 HHEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528748 1007748238 /nfs/dbraw/zinc/74/82/38/1007748238.db2.gz GKDCIYIKBSNCGY-INIZCTEOSA-N 1 1 410.909 3.894 20 30 HHEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000539454659 1007765820 /nfs/dbraw/zinc/76/58/20/1007765820.db2.gz NLBXJBCCXJFSSJ-PZJWPPBQSA-N 1 1 410.587 3.767 20 30 HHEDMO CC[NH+]1CCN(c2ccc(C(=O)N[C@](C)(C#N)CCc3ccccc3)cc2F)CC1 ZINC000533505004 1007816961 /nfs/dbraw/zinc/81/69/61/1007816961.db2.gz XCNUKQXCUDPGHY-DEOSSOPVSA-N 1 1 408.521 3.612 20 30 HHEDMO C=CCN(CCc1ccccc1)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000517705039 1007918947 /nfs/dbraw/zinc/91/89/47/1007918947.db2.gz NAVRENPHCXHQEP-UHFFFAOYSA-N 1 1 410.562 3.944 20 30 HHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000536029965 1008064676 /nfs/dbraw/zinc/06/46/76/1008064676.db2.gz VQDJLLPNXKZJRH-GOEBONIOSA-N 1 1 400.914 3.591 20 30 HHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000536029965 1008064685 /nfs/dbraw/zinc/06/46/85/1008064685.db2.gz VQDJLLPNXKZJRH-GOEBONIOSA-N 1 1 400.914 3.591 20 30 HHEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000536029967 1008064959 /nfs/dbraw/zinc/06/49/59/1008064959.db2.gz VQDJLLPNXKZJRH-ZBFHGGJFSA-N 1 1 400.914 3.591 20 30 HHEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000536029967 1008064968 /nfs/dbraw/zinc/06/49/68/1008064968.db2.gz VQDJLLPNXKZJRH-ZBFHGGJFSA-N 1 1 400.914 3.591 20 30 HHEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533760793 1008086291 /nfs/dbraw/zinc/08/62/91/1008086291.db2.gz HGEFKGWKQCYCKQ-SFHVURJKSA-N 1 1 407.905 3.973 20 30 HHEDMO N#CCCn1cc(CNc2ccc(C[NH+]3CCOCC3)cc2)c(-c2ccccc2)n1 ZINC000539926354 1008188260 /nfs/dbraw/zinc/18/82/60/1008188260.db2.gz DXJDOMJZJFFWDW-UHFFFAOYSA-N 1 1 401.514 3.908 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000518168474 1008192749 /nfs/dbraw/zinc/19/27/49/1008192749.db2.gz HVHXHYYVUASMPU-ZACQAIPSSA-N 1 1 404.580 3.948 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000518168474 1008192754 /nfs/dbraw/zinc/19/27/54/1008192754.db2.gz HVHXHYYVUASMPU-ZACQAIPSSA-N 1 1 404.580 3.948 20 30 HHEDMO C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)CC1 ZINC000518333277 1008265498 /nfs/dbraw/zinc/26/54/98/1008265498.db2.gz PYSXMXDRBATBQO-OAQYLSRUSA-N 1 1 404.986 3.644 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000540319575 1008378138 /nfs/dbraw/zinc/37/81/38/1008378138.db2.gz TVQXPEHAIOGPCZ-HSZRJFAPSA-N 1 1 418.541 3.503 20 30 HHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000540375319 1008405254 /nfs/dbraw/zinc/40/52/54/1008405254.db2.gz DTBGWMXZJCLNIU-KBPBESRZSA-N 1 1 411.340 3.684 20 30 HHEDMO C=CC[C@H](CO)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540413858 1008422903 /nfs/dbraw/zinc/42/29/03/1008422903.db2.gz ISUPBMRQPPNKIP-IEZWGBDMSA-N 1 1 413.484 3.572 20 30 HHEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540451919 1008439011 /nfs/dbraw/zinc/43/90/11/1008439011.db2.gz NICNVNFTEKIICR-MGPUTAFESA-N 1 1 403.885 3.862 20 30 HHEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540451919 1008439013 /nfs/dbraw/zinc/43/90/13/1008439013.db2.gz NICNVNFTEKIICR-MGPUTAFESA-N 1 1 403.885 3.862 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518837463 1008439798 /nfs/dbraw/zinc/43/97/98/1008439798.db2.gz VKRVZIYWXSEIIP-UYAOXDASSA-N 1 1 415.557 3.620 20 30 HHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000540549008 1008476932 /nfs/dbraw/zinc/47/69/32/1008476932.db2.gz ITUZFKZEAKAKQF-NFBKMPQASA-N 1 1 410.587 3.786 20 30 HHEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)cc1OC ZINC000548960503 1008543370 /nfs/dbraw/zinc/54/33/70/1008543370.db2.gz HKPZOHMAGDQUIM-FQEVSTJZSA-N 1 1 413.562 3.834 20 30 HHEDMO N#CCc1ccc(C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000543139897 1008712684 /nfs/dbraw/zinc/71/26/84/1008712684.db2.gz XEGDTYSNLSXMPM-UHFFFAOYSA-N 1 1 407.905 3.774 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)sc2C1 ZINC000543182001 1008755681 /nfs/dbraw/zinc/75/56/81/1008755681.db2.gz UBVWLJWYGWRHAS-OSGQAZFXSA-N 1 1 415.603 3.802 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)sc2C1 ZINC000543182001 1008755687 /nfs/dbraw/zinc/75/56/87/1008755687.db2.gz UBVWLJWYGWRHAS-OSGQAZFXSA-N 1 1 415.603 3.802 20 30 HHEDMO N#Cc1ccc2nc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)ccc2c1 ZINC000549232375 1008803029 /nfs/dbraw/zinc/80/30/29/1008803029.db2.gz CRDCJEJTZABNGO-HSZRJFAPSA-N 1 1 412.537 4.447 20 30 HHEDMO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000549275141 1008844865 /nfs/dbraw/zinc/84/48/65/1008844865.db2.gz WUGUBVKBQPKDDX-UHFFFAOYSA-N 1 1 423.524 3.587 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000519756860 1008996313 /nfs/dbraw/zinc/99/63/13/1008996313.db2.gz BTRCCEGQPZWTKP-HXUWFJFHSA-N 1 1 402.542 3.873 20 30 HHEDMO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000549410185 1008997401 /nfs/dbraw/zinc/99/74/01/1008997401.db2.gz RBGGYDVDWNAVBQ-UHFFFAOYSA-N 1 1 421.570 3.972 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000543470352 1009059683 /nfs/dbraw/zinc/05/96/83/1009059683.db2.gz GZYCRRPRLULXDY-KJZPAOQPSA-N 1 1 415.584 3.586 20 30 HHEDMO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000520076552 1009237051 /nfs/dbraw/zinc/23/70/51/1009237051.db2.gz SSDIWMMVYYYQAJ-JOCHJYFZSA-N 1 1 418.541 3.597 20 30 HHEDMO CC(C)[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2ccncc2)no1 ZINC000543770862 1009339728 /nfs/dbraw/zinc/33/97/28/1009339728.db2.gz MDHPZSRCDUDEKM-JOCHJYFZSA-N 1 1 416.529 3.955 20 30 HHEDMO C=C[C@H](Cc1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1)c1ccccc1 ZINC000546398657 1009411255 /nfs/dbraw/zinc/41/12/55/1009411255.db2.gz QECJSXXEWFWXQG-DYESRHJHSA-N 1 1 402.498 3.699 20 30 HHEDMO C=C[C@H](Cc1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1)c1ccccc1 ZINC000546398657 1009411264 /nfs/dbraw/zinc/41/12/64/1009411264.db2.gz QECJSXXEWFWXQG-DYESRHJHSA-N 1 1 402.498 3.699 20 30 HHEDMO N#Cc1cccc(OCCCCC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000520323578 1009452993 /nfs/dbraw/zinc/45/29/93/1009452993.db2.gz LNHTZXXASSHHGP-UHFFFAOYSA-N 1 1 407.514 3.621 20 30 HHEDMO N#Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cnc1C(F)(F)F ZINC000549886221 1009507156 /nfs/dbraw/zinc/50/71/56/1009507156.db2.gz JIPNOEFANGTQQJ-UHFFFAOYSA-N 1 1 406.433 3.773 20 30 HHEDMO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000543981414 1009581691 /nfs/dbraw/zinc/58/16/91/1009581691.db2.gz VAMHUTHKYCRNGR-QFIPXVFZSA-N 1 1 404.901 3.796 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)C[N@@H+](C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000520524727 1009615227 /nfs/dbraw/zinc/61/52/27/1009615227.db2.gz KOVYWHPCPWPJBA-UHFFFAOYSA-N 1 1 408.498 3.650 20 30 HHEDMO C=CCOc1ccccc1CN(C(=O)C[N@H+](C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000520524727 1009615235 /nfs/dbraw/zinc/61/52/35/1009615235.db2.gz KOVYWHPCPWPJBA-UHFFFAOYSA-N 1 1 408.498 3.650 20 30 HHEDMO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@H+]2CC(=O)N(CCC#N)CCC#N)c1 ZINC000544125932 1009734579 /nfs/dbraw/zinc/73/45/79/1009734579.db2.gz SQUFHSFUAFNALK-NOZRDPDXSA-N 1 1 416.525 3.882 20 30 HHEDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CC(=O)N(CCC#N)CCC#N)c1 ZINC000544125933 1009734845 /nfs/dbraw/zinc/73/48/45/1009734845.db2.gz SQUFHSFUAFNALK-UKILVPOCSA-N 1 1 416.525 3.882 20 30 HHEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000550159383 1009740851 /nfs/dbraw/zinc/74/08/51/1009740851.db2.gz XCEMQPFONOXDQK-CYBMUJFWSA-N 1 1 416.522 3.627 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)CCc2ccccc2O)c1C#N ZINC000544187063 1009790561 /nfs/dbraw/zinc/79/05/61/1009790561.db2.gz JSNGECWJPOUOMR-UHFFFAOYSA-N 1 1 420.488 3.924 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)CCc2ccccc2O)c1C#N ZINC000544187063 1009790574 /nfs/dbraw/zinc/79/05/74/1009790574.db2.gz JSNGECWJPOUOMR-UHFFFAOYSA-N 1 1 420.488 3.924 20 30 HHEDMO COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000544298910 1009917914 /nfs/dbraw/zinc/91/79/14/1009917914.db2.gz DDRDRMAULHRZRR-UHFFFAOYSA-N 1 1 422.529 3.712 20 30 HHEDMO C=C[C@H](Cc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1)c1ccccc1 ZINC000546979900 1009936235 /nfs/dbraw/zinc/93/62/35/1009936235.db2.gz VEHSKEYSECWOGG-GOSISDBHSA-N 1 1 402.498 3.637 20 30 HHEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000550572750 1010036859 /nfs/dbraw/zinc/03/68/59/1010036859.db2.gz JRFJSELJYAZKDA-MRXNPFEDSA-N 1 1 410.909 3.812 20 30 HHEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000550572750 1010036880 /nfs/dbraw/zinc/03/68/80/1010036880.db2.gz JRFJSELJYAZKDA-MRXNPFEDSA-N 1 1 410.909 3.812 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000521074159 1010090630 /nfs/dbraw/zinc/09/06/30/1010090630.db2.gz BJSOLVHJWNTNNG-MRXNPFEDSA-N 1 1 414.531 3.801 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000521074159 1010090646 /nfs/dbraw/zinc/09/06/46/1010090646.db2.gz BJSOLVHJWNTNNG-MRXNPFEDSA-N 1 1 414.531 3.801 20 30 HHEDMO COc1cc(C#N)ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000547415503 1010294306 /nfs/dbraw/zinc/29/43/06/1010294306.db2.gz FHKLVPVRPYCZRT-KRWDZBQOSA-N 1 1 418.419 3.982 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(Cn4cccn4)cc3)CC2)cc1 ZINC000521367876 1010337688 /nfs/dbraw/zinc/33/76/88/1010337688.db2.gz KYPXSIHDEDVDJU-UHFFFAOYSA-N 1 1 414.513 3.543 20 30 HHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000551166526 1010411519 /nfs/dbraw/zinc/41/15/19/1010411519.db2.gz OJLLZQPEVPRYID-MRXNPFEDSA-N 1 1 411.999 3.544 20 30 HHEDMO N#Cc1c(F)cc(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000521685569 1010550188 /nfs/dbraw/zinc/55/01/88/1010550188.db2.gz HDWITUXVXLJGNQ-FQEVSTJZSA-N 1 1 423.385 3.907 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000521694356 1010556083 /nfs/dbraw/zinc/55/60/83/1010556083.db2.gz JKSAKHBKBISISS-HXUWFJFHSA-N 1 1 412.490 3.604 20 30 HHEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551713892 1010756416 /nfs/dbraw/zinc/75/64/16/1010756416.db2.gz MMXHZIXNZZZOHQ-SNVBAGLBSA-N 1 1 411.346 3.556 20 30 HHEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551713892 1010756420 /nfs/dbraw/zinc/75/64/20/1010756420.db2.gz MMXHZIXNZZZOHQ-SNVBAGLBSA-N 1 1 411.346 3.556 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000522030136 1010765324 /nfs/dbraw/zinc/76/53/24/1010765324.db2.gz AGMUUZAFPBNCIT-OAHLLOKOSA-N 1 1 416.319 3.796 20 30 HHEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000522030136 1010765334 /nfs/dbraw/zinc/76/53/34/1010765334.db2.gz AGMUUZAFPBNCIT-OAHLLOKOSA-N 1 1 416.319 3.796 20 30 HHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000545398604 1010772613 /nfs/dbraw/zinc/77/26/13/1010772613.db2.gz UWPCVUHZCIMUKT-FOIQADDNSA-N 1 1 422.367 3.735 20 30 HHEDMO C[C@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[N@H+]1CCCC[C@H]1C ZINC000523053541 1011523303 /nfs/dbraw/zinc/52/33/03/1011523303.db2.gz VDQXWNBKYWTTBA-QZTJIDSGSA-N 1 1 420.513 3.668 20 30 HHEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523083421 1011553414 /nfs/dbraw/zinc/55/34/14/1011553414.db2.gz CXTIGYZSKTWMIG-QZTJIDSGSA-N 1 1 420.513 3.526 20 30 HHEDMO CC(C)[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccnc2)no1 ZINC000540984721 1011618044 /nfs/dbraw/zinc/61/80/44/1011618044.db2.gz YMIBLFMSYFJNRV-JOCHJYFZSA-N 1 1 416.529 3.955 20 30 HHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000540993925 1011627628 /nfs/dbraw/zinc/62/76/28/1011627628.db2.gz ZSILUPOOGFRCFY-SFHVURJKSA-N 1 1 419.978 3.866 20 30 HHEDMO C=CCOc1ccccc1C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000523328548 1011803674 /nfs/dbraw/zinc/80/36/74/1011803674.db2.gz WSJWNFJLKJAFDU-UHFFFAOYSA-N 1 1 405.498 3.791 20 30 HHEDMO CC[N@@H+](CCC1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)CC1CC1 ZINC000536736749 1011916159 /nfs/dbraw/zinc/91/61/59/1011916159.db2.gz AUNDDLVZJRBTHO-UHFFFAOYSA-N 1 1 402.970 3.984 20 30 HHEDMO CCc1ccc(C[NH+]2CCN(CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)s1 ZINC000523443164 1011937368 /nfs/dbraw/zinc/93/73/68/1011937368.db2.gz DVLAOGFWGLYMTD-UHFFFAOYSA-N 1 1 424.614 3.992 20 30 HHEDMO C=CCc1ccc(OCC(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c(OC)c1 ZINC000541274484 1011966228 /nfs/dbraw/zinc/96/62/28/1011966228.db2.gz YIZBUTHYGBDGIV-UHFFFAOYSA-N 1 1 401.532 3.664 20 30 HHEDMO C=CCc1ccc(OCC(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c(OC)c1 ZINC000541274484 1011966232 /nfs/dbraw/zinc/96/62/32/1011966232.db2.gz YIZBUTHYGBDGIV-UHFFFAOYSA-N 1 1 401.532 3.664 20 30 HHEDMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000523570266 1012112750 /nfs/dbraw/zinc/11/27/50/1012112750.db2.gz PLLJJDYFXVSYQS-QFBILLFUSA-N 1 1 401.507 3.543 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000552118498 1012136207 /nfs/dbraw/zinc/13/62/07/1012136207.db2.gz JYNUIJQHJSAOHB-SBUREZEXSA-N 1 1 408.521 3.702 20 30 HHEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Cc1c(F)cccc1C#N ZINC000552118498 1012136216 /nfs/dbraw/zinc/13/62/16/1012136216.db2.gz JYNUIJQHJSAOHB-SBUREZEXSA-N 1 1 408.521 3.702 20 30 HHEDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552136578 1012155660 /nfs/dbraw/zinc/15/56/60/1012155660.db2.gz CTAWUWCDXCBKQX-YCRPNKLZSA-N 1 1 403.860 3.842 20 30 HHEDMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)Cc3c(F)cccc3C#N)cc2)C[C@H]1C ZINC000552138237 1012157715 /nfs/dbraw/zinc/15/77/15/1012157715.db2.gz JUAGGADCVNLFLS-KDURUIRLSA-N 1 1 423.532 3.565 20 30 HHEDMO COc1cccc([C@@H]2[C@H](NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC[N@H+]2C2CC2)c1 ZINC000552149122 1012171813 /nfs/dbraw/zinc/17/18/13/1012171813.db2.gz TXXQCGJJRIYGBC-DHIUTWEWSA-N 1 1 419.500 3.832 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000537019409 1012326482 /nfs/dbraw/zinc/32/64/82/1012326482.db2.gz XNTOIAPLRSEWSK-HXUWFJFHSA-N 1 1 409.555 3.857 20 30 HHEDMO C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599873 1012394467 /nfs/dbraw/zinc/39/44/67/1012394467.db2.gz RJYJDTRKWWCASI-QYZOEREBSA-N 1 1 400.542 3.703 20 30 HHEDMO CCOc1ccc(Br)cc1C[N@@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000552438950 1012458152 /nfs/dbraw/zinc/45/81/52/1012458152.db2.gz QKXAKRAQVBKRKI-UHFFFAOYSA-N 1 1 408.340 3.574 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000552479338 1012504813 /nfs/dbraw/zinc/50/48/13/1012504813.db2.gz PAICCTZKADVCLK-MSOLQXFVSA-N 1 1 401.580 3.703 20 30 HHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000552479338 1012504829 /nfs/dbraw/zinc/50/48/29/1012504829.db2.gz PAICCTZKADVCLK-MSOLQXFVSA-N 1 1 401.580 3.703 20 30 HHEDMO CC(C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Br ZINC000537123120 1012505051 /nfs/dbraw/zinc/50/50/51/1012505051.db2.gz DLCDWVMCBQYXOH-UHFFFAOYSA-N 1 1 407.333 3.619 20 30 HHEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000552585111 1012590581 /nfs/dbraw/zinc/59/05/81/1012590581.db2.gz GYPGMWBSOMSKKY-NRFANRHFSA-N 1 1 404.986 3.817 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000524073054 1012836624 /nfs/dbraw/zinc/83/66/24/1012836624.db2.gz UIDNQAJQLVDELG-UHFFFAOYSA-N 1 1 413.562 3.695 20 30 HHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]2CCCC[C@@H]12 ZINC000542053145 1012964237 /nfs/dbraw/zinc/96/42/37/1012964237.db2.gz XVCPWNGEHGRVEJ-GHDARCQNSA-N 1 1 424.589 3.867 20 30 HHEDMO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nn1CCC#N ZINC000537515595 1013030020 /nfs/dbraw/zinc/03/00/20/1013030020.db2.gz POHBVARBPPTLGV-NHCUHLMSSA-N 1 1 406.534 3.624 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000729812111 1072127231 /nfs/dbraw/zinc/12/72/31/1072127231.db2.gz LXGJZOHSANRHCJ-GOSISDBHSA-N 1 1 416.319 3.506 20 30 HHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000586789631 1072442375 /nfs/dbraw/zinc/44/23/75/1072442375.db2.gz GASNKTRUJYOOSC-QFIPXVFZSA-N 1 1 420.532 3.647 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174639 1072453728 /nfs/dbraw/zinc/45/37/28/1072453728.db2.gz ULXOTZIVSUZNBN-JOCHJYFZSA-N 1 1 411.477 3.624 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174639 1072453829 /nfs/dbraw/zinc/45/38/29/1072453829.db2.gz ULXOTZIVSUZNBN-JOCHJYFZSA-N 1 1 411.477 3.624 20 30 HHEDMO CC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000586874868 1072499288 /nfs/dbraw/zinc/49/92/88/1072499288.db2.gz VTDYDXLMVYNKJF-RBUKOAKNSA-N 1 1 400.954 3.561 20 30 HHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000587846438 1072707178 /nfs/dbraw/zinc/70/71/78/1072707178.db2.gz HOVSSPGBEXPZNF-KNQAVFIVSA-N 1 1 420.532 3.647 20 30 HHEDMO CC1(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000588023043 1072759994 /nfs/dbraw/zinc/75/99/94/1072759994.db2.gz OHJMPAYYONTQJO-FQEVSTJZSA-N 1 1 414.981 3.951 20 30 HHEDMO C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[N@H+](CC)CC1 ZINC000571809608 1072860588 /nfs/dbraw/zinc/86/05/88/1072860588.db2.gz RWWJFRNWWVZITB-UHFFFAOYSA-N 1 1 408.319 3.565 20 30 HHEDMO CC[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1OCC(=O)NC 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/nfs/dbraw/zinc/28/63/66/1073286366.db2.gz CNKZIFMCXZYFFT-HXUWFJFHSA-N 1 1 419.577 3.875 20 30 HHEDMO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](CCOCC)CC1 ZINC000555263039 1073295474 /nfs/dbraw/zinc/29/54/74/1073295474.db2.gz CZNXBPBTPBLJIX-UHFFFAOYSA-N 1 1 420.561 3.536 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000555293910 1073324915 /nfs/dbraw/zinc/32/49/15/1073324915.db2.gz OJKOLNFFQSHIBH-UHFFFAOYSA-N 1 1 407.518 3.753 20 30 HHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000588979048 1073368870 /nfs/dbraw/zinc/36/88/70/1073368870.db2.gz WQKXZZVLSOKSHQ-HXUWFJFHSA-N 1 1 417.431 3.831 20 30 HHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000588979048 1073368876 /nfs/dbraw/zinc/36/88/76/1073368876.db2.gz WQKXZZVLSOKSHQ-HXUWFJFHSA-N 1 1 417.431 3.831 20 30 HHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1C#N ZINC000588985395 1073370763 /nfs/dbraw/zinc/37/07/63/1073370763.db2.gz VUNZDHPYJYELIJ-XMMPIXPASA-N 1 1 404.489 3.619 20 30 HHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1C#N ZINC000588985395 1073370771 /nfs/dbraw/zinc/37/07/71/1073370771.db2.gz VUNZDHPYJYELIJ-XMMPIXPASA-N 1 1 404.489 3.619 20 30 HHEDMO COCc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cc1 ZINC000555417792 1073452046 /nfs/dbraw/zinc/45/20/46/1073452046.db2.gz NRSNNTANDSIUNW-NRFANRHFSA-N 1 1 414.347 3.978 20 30 HHEDMO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000590097756 1073546053 /nfs/dbraw/zinc/54/60/53/1073546053.db2.gz UUHDBGSCTYQABO-TUACAJSNSA-N 1 1 402.542 3.655 20 30 HHEDMO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000555971153 1074014740 /nfs/dbraw/zinc/01/47/40/1074014740.db2.gz GXHRYWIKPTWVAO-NRFANRHFSA-N 1 1 419.569 3.750 20 30 HHEDMO C=CCn1c(-c2cccc3ccccc32)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000573169183 1074257894 /nfs/dbraw/zinc/25/78/94/1074257894.db2.gz XNLIXSVBVNPHIO-NRFANRHFSA-N 1 1 416.573 3.501 20 30 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C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000302969056 971425570 /nfs/dbraw/zinc/42/55/70/971425570.db2.gz GDAPJMMVXVTYJZ-CQSZACIVSA-N 1 1 419.934 3.637 20 30 HHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000553116515 1013079331 /nfs/dbraw/zinc/07/93/31/1013079331.db2.gz ZJHPYBBCQKKMPR-HSZRJFAPSA-N 1 1 410.562 3.660 20 30 HHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000553116515 1013079348 /nfs/dbraw/zinc/07/93/48/1013079348.db2.gz ZJHPYBBCQKKMPR-HSZRJFAPSA-N 1 1 410.562 3.660 20 30 HHEDMO CC(C)(C#N)c1ccc(NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000303197822 971555587 /nfs/dbraw/zinc/55/55/87/971555587.db2.gz NQXRVCRAKNNKTB-UHFFFAOYSA-N 1 1 412.456 3.606 20 30 HHEDMO CN(C(=O)CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1)C1(C#N)CCCCC1 ZINC000537564252 1013100976 /nfs/dbraw/zinc/10/09/76/1013100976.db2.gz RQRNZOFNLQVOOV-IBGZPJMESA-N 1 1 412.582 3.717 20 30 HHEDMO 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CC[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H](C)c1ccc(C#N)cc1 ZINC000060477584 966163259 /nfs/dbraw/zinc/16/32/59/966163259.db2.gz OVDKLPVZPIBPEA-SGGRRFJASA-N 1 1 408.546 3.736 20 30 HHEDMO CSc1nc(C2CC2)cc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1C#N ZINC000032400677 966242724 /nfs/dbraw/zinc/24/27/24/966242724.db2.gz DXRRQYSAYFEYNB-UHFFFAOYSA-N 1 1 406.555 3.731 20 30 HHEDMO COc1ccccc1[C@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)[NH+](C)C ZINC000032694799 966310991 /nfs/dbraw/zinc/31/09/91/966310991.db2.gz RZECLVAGFYOLGQ-IBGZPJMESA-N 1 1 410.543 3.594 20 30 HHEDMO CC(C)Oc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056477992 966353663 /nfs/dbraw/zinc/35/36/63/966353663.db2.gz XHVBKLHGTJWWCR-UHFFFAOYSA-N 1 1 406.530 3.763 20 30 HHEDMO C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCc1cccc(C#N)c1)C1CCCCC1 ZINC000041555683 966594141 /nfs/dbraw/zinc/59/41/41/966594141.db2.gz WZBXHPDBYXNPRK-UHFFFAOYSA-N 1 1 404.514 3.578 20 30 HHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000062128660 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ZINC000048146693 968456170 /nfs/dbraw/zinc/45/61/70/968456170.db2.gz KLZOEUDLRAWSQZ-UHFFFAOYSA-N 1 1 417.431 3.734 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)cc1 ZINC000048160244 968462612 /nfs/dbraw/zinc/46/26/12/968462612.db2.gz PBUQEYGMLDWKMG-JOCHJYFZSA-N 1 1 406.530 3.561 20 30 HHEDMO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccc2ccccc2c1 ZINC000538273593 1013813315 /nfs/dbraw/zinc/81/33/15/1013813315.db2.gz RXLRIKXTTZHPRJ-JOCHJYFZSA-N 1 1 418.566 3.742 20 30 HHEDMO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccc2ccccc2c1 ZINC000538273593 1013813323 /nfs/dbraw/zinc/81/33/23/1013813323.db2.gz RXLRIKXTTZHPRJ-JOCHJYFZSA-N 1 1 418.566 3.742 20 30 HHEDMO Cc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1NC(=O)C[NH+]1CCCCC1 ZINC000065886889 968701065 /nfs/dbraw/zinc/70/10/65/968701065.db2.gz KOKSALUKNYVQDB-SFHVURJKSA-N 1 1 419.529 3.730 20 30 HHEDMO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C2CC2)cc1 ZINC000071952241 968904915 /nfs/dbraw/zinc/90/49/15/968904915.db2.gz YMFOQCNYVVSYLN-RUZDIDTESA-N 1 1 402.542 3.646 20 30 HHEDMO Cc1ccc([C@@H](NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)C2CC2)cc1 ZINC000071952241 968904921 /nfs/dbraw/zinc/90/49/21/968904921.db2.gz YMFOQCNYVVSYLN-RUZDIDTESA-N 1 1 402.542 3.646 20 30 HHEDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000108975836 969443178 /nfs/dbraw/zinc/44/31/78/969443178.db2.gz IIEHFRTYZLQRRA-RTWAWAEBSA-N 1 1 412.578 3.567 20 30 HHEDMO CC(C)[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000109405853 969513305 /nfs/dbraw/zinc/51/33/05/969513305.db2.gz JKMJEHPJNFILKK-UHFFFAOYSA-N 1 1 412.921 3.519 20 30 HHEDMO CC(C)[N@@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000109405853 969513311 /nfs/dbraw/zinc/51/33/11/969513311.db2.gz JKMJEHPJNFILKK-UHFFFAOYSA-N 1 1 412.921 3.519 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000110000618 969607369 /nfs/dbraw/zinc/60/73/69/969607369.db2.gz ADFVUUHANDNTEZ-GOSISDBHSA-N 1 1 419.460 3.956 20 30 HHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000112544487 969815283 /nfs/dbraw/zinc/81/52/83/969815283.db2.gz ITSKDHZSFYFFBJ-QFBILLFUSA-N 1 1 400.523 3.655 20 30 HHEDMO N#Cc1ccc(Oc2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2)cc1 ZINC000112681270 969824389 /nfs/dbraw/zinc/82/43/89/969824389.db2.gz FSIINMXNUFWQDT-FQEVSTJZSA-N 1 1 408.502 3.709 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000113176641 969825724 /nfs/dbraw/zinc/82/57/24/969825724.db2.gz NJWLDOYBTFJKNX-UHFFFAOYSA-N 1 1 418.419 3.608 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000113176641 969825728 /nfs/dbraw/zinc/82/57/28/969825728.db2.gz NJWLDOYBTFJKNX-UHFFFAOYSA-N 1 1 418.419 3.608 20 30 HHEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)O1 ZINC000115731880 969851498 /nfs/dbraw/zinc/85/14/98/969851498.db2.gz HKAKANPLZKJLSD-RTBURBONSA-N 1 1 421.541 3.755 20 30 HHEDMO C[C@H](OC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)c1ccc(Cl)cc1 ZINC000116609123 969909346 /nfs/dbraw/zinc/90/93/46/969909346.db2.gz KEJKNZPLLKFUSB-JXFKEZNVSA-N 1 1 417.912 3.611 20 30 HHEDMO C[C@@H]1CN(Cc2ccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)cc2)C[C@@H](C)O1 ZINC000237420040 970282670 /nfs/dbraw/zinc/28/26/70/970282670.db2.gz UAKZWOZORRBXCT-NHCUHLMSSA-N 1 1 406.574 3.935 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC000149812370 970411295 /nfs/dbraw/zinc/41/12/95/970411295.db2.gz FUAGAJIHGGLAOS-FQEVSTJZSA-N 1 1 405.502 3.706 20 30 HHEDMO C[C@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000255633297 970586286 /nfs/dbraw/zinc/58/62/86/970586286.db2.gz OYEYMWZJHJPPLS-HNNXBMFYSA-N 1 1 421.419 3.920 20 30 HHEDMO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000305706731 972613271 /nfs/dbraw/zinc/61/32/71/972613271.db2.gz WGDQBTIBUAOPKS-UWJYYQICSA-N 1 1 418.944 3.628 20 30 HHEDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000379704690 972771801 /nfs/dbraw/zinc/77/18/01/972771801.db2.gz KBGLQDZSRNQAMW-MAUKXSAKSA-N 1 1 403.935 3.543 20 30 HHEDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379703626 972771864 /nfs/dbraw/zinc/77/18/64/972771864.db2.gz FYXSSCKRLLLQIA-CRAIPNDOSA-N 1 1 403.935 3.543 20 30 HHEDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000379704725 972773965 /nfs/dbraw/zinc/77/39/65/972773965.db2.gz KIHWVTTXWVLBLW-MAUKXSAKSA-N 1 1 403.935 3.543 20 30 HHEDMO C=CC[N@@H+](Cc1ccc(O)c2nc(C)ccc12)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000554820294 1014058325 /nfs/dbraw/zinc/05/83/25/1014058325.db2.gz QLIXLDCKLVSQLD-QGZVFWFLSA-N 1 1 400.486 3.974 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)C1 ZINC000409460168 972905800 /nfs/dbraw/zinc/90/58/00/972905800.db2.gz ZNFRZCZRWUWMJX-IBGZPJMESA-N 1 1 413.525 3.906 20 30 HHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409938453 973402325 /nfs/dbraw/zinc/40/23/25/973402325.db2.gz QIPFXYBIAFBEEF-HSZRJFAPSA-N 1 1 401.514 3.630 20 30 HHEDMO CN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425986744 974097883 /nfs/dbraw/zinc/09/78/83/974097883.db2.gz XLBJHMXARISKLM-QFIPXVFZSA-N 1 1 418.459 3.506 20 30 HHEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[NH+](C4CC4)CC3)sc2C1 ZINC000426421048 974440476 /nfs/dbraw/zinc/44/04/76/974440476.db2.gz QBJPQNUTJZCJMR-INIZCTEOSA-N 1 1 414.619 3.879 20 30 HHEDMO N#Cc1cccc(NC(=O)C2CC[NH+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)c1 ZINC000427013864 974825277 /nfs/dbraw/zinc/82/52/77/974825277.db2.gz XORKTESUHAVNHM-OAQYLSRUSA-N 1 1 422.916 3.668 20 30 HHEDMO C[NH+]1CCN(c2ncc(CNc3ccc(Oc4ccccc4)c(C#N)c3)cn2)CC1 ZINC000428408218 975728255 /nfs/dbraw/zinc/72/82/55/975728255.db2.gz JWNOEAVGWGCELW-UHFFFAOYSA-N 1 1 400.486 3.504 20 30 HHEDMO C=CCOc1cccc(C[N@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000428488074 975787233 /nfs/dbraw/zinc/78/72/33/975787233.db2.gz YSESKYQBOMGKTF-GOSISDBHSA-N 1 1 400.544 3.984 20 30 HHEDMO COc1ccc(-c2nc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)cc1OC ZINC000428776578 976049503 /nfs/dbraw/zinc/04/95/03/976049503.db2.gz ZZEROMXMTPRISA-SFHVURJKSA-N 1 1 422.510 3.747 20 30 HHEDMO COc1ccc(-c2nc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)cc1OC ZINC000428776578 976049519 /nfs/dbraw/zinc/04/95/19/976049519.db2.gz ZZEROMXMTPRISA-SFHVURJKSA-N 1 1 422.510 3.747 20 30 HHEDMO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428814716 976094876 /nfs/dbraw/zinc/09/48/76/976094876.db2.gz SKKCFDFESMJXGU-UEXGIBASSA-N 1 1 414.509 3.825 20 30 HHEDMO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428814716 976094885 /nfs/dbraw/zinc/09/48/85/976094885.db2.gz SKKCFDFESMJXGU-UEXGIBASSA-N 1 1 414.509 3.825 20 30 HHEDMO N#CCC[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000428963126 976251437 /nfs/dbraw/zinc/25/14/37/976251437.db2.gz CBYNAJORJONLNJ-PKTZIBPZSA-N 1 1 406.530 3.622 20 30 HHEDMO N#CCC[C@@H](NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000428971221 976259611 /nfs/dbraw/zinc/25/96/11/976259611.db2.gz VNDIHIKTZLBRNU-FGZHOGPDSA-N 1 1 408.571 3.948 20 30 HHEDMO N#CCC[C@@H](NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000428971221 976259620 /nfs/dbraw/zinc/25/96/20/976259620.db2.gz VNDIHIKTZLBRNU-FGZHOGPDSA-N 1 1 408.571 3.948 20 30 HHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H](C)C1 ZINC000428988719 976270241 /nfs/dbraw/zinc/27/02/41/976270241.db2.gz CBMHHZOCSBJDHG-AXVVYFOYSA-N 1 1 414.619 3.735 20 30 HHEDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000429147367 976434577 /nfs/dbraw/zinc/43/45/77/976434577.db2.gz FCORVPIGRSMJIK-HNNXBMFYSA-N 1 1 400.885 3.890 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1C#N ZINC000429274533 976559667 /nfs/dbraw/zinc/55/96/67/976559667.db2.gz SDZVLGAKLZXRBD-FQEVSTJZSA-N 1 1 406.530 3.653 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1C#N ZINC000429274533 976559678 /nfs/dbraw/zinc/55/96/78/976559678.db2.gz SDZVLGAKLZXRBD-FQEVSTJZSA-N 1 1 406.530 3.653 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000429353068 976617950 /nfs/dbraw/zinc/61/79/50/976617950.db2.gz JBJIEQREFNBCHN-XMMPIXPASA-N 1 1 406.530 3.779 20 30 HHEDMO C=CCOc1ccccc1CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000429491762 976749019 /nfs/dbraw/zinc/74/90/19/976749019.db2.gz MQSQTEUNYFVOLY-BGYRXZFFSA-N 1 1 415.578 3.672 20 30 HHEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000429589531 976866946 /nfs/dbraw/zinc/86/69/46/976866946.db2.gz DSXLKIFZPBMWCX-UHFFFAOYSA-N 1 1 401.514 3.845 20 30 HHEDMO COc1ccccc1[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[NH+](C)C ZINC000429736233 977027036 /nfs/dbraw/zinc/02/70/36/977027036.db2.gz ODHSJFOSWZNGHN-NRFANRHFSA-N 1 1 417.513 3.505 20 30 HHEDMO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000430107429 977322475 /nfs/dbraw/zinc/32/24/75/977322475.db2.gz TXBYIQHXTIAVNL-QFIPXVFZSA-N 1 1 412.555 3.926 20 30 HHEDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000430107429 977322478 /nfs/dbraw/zinc/32/24/78/977322478.db2.gz TXBYIQHXTIAVNL-QFIPXVFZSA-N 1 1 412.555 3.926 20 30 HHEDMO C=CCn1c(=O)c2ccccc2nc1SC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000430118129 977327842 /nfs/dbraw/zinc/32/78/42/977327842.db2.gz GDHPDUDMSQINGU-FQEVSTJZSA-N 1 1 421.566 3.966 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)nc1 ZINC000430167866 977363331 /nfs/dbraw/zinc/36/33/31/977363331.db2.gz NBONYECDLDBTQU-LJQANCHMSA-N 1 1 424.302 3.555 20 30 HHEDMO COc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OCc1cccnc1 ZINC000430174054 977369230 /nfs/dbraw/zinc/36/92/30/977369230.db2.gz UYDNEEWRTSEMQS-OAQYLSRUSA-N 1 1 416.481 3.589 20 30 HHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)nc1 ZINC000430185812 977377879 /nfs/dbraw/zinc/37/78/79/977377879.db2.gz KHDNDKYKECLOBV-HSZRJFAPSA-N 1 1 422.492 3.854 20 30 HHEDMO C=CCN1C(=O)N(C[C@H](C)[N@@H+]2CCc3sccc3C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430940702 977903879 /nfs/dbraw/zinc/90/38/79/977903879.db2.gz QMDPPUMLACQOIV-PXNSSMCTSA-N 1 1 409.555 3.556 20 30 HHEDMO C=CCN1C(=O)N(C[C@H](C)[N@H+]2CCc3sccc3C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430940702 977903882 /nfs/dbraw/zinc/90/38/82/977903882.db2.gz QMDPPUMLACQOIV-PXNSSMCTSA-N 1 1 409.555 3.556 20 30 HHEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)NCCSCc2ccccc2C#N)[C@H](C(F)(F)F)C1 ZINC000431031041 977965475 /nfs/dbraw/zinc/96/54/75/977965475.db2.gz UHWLCIDNEZITKK-IAGOWNOFSA-N 1 1 413.509 3.816 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000431399564 978273912 /nfs/dbraw/zinc/27/39/12/978273912.db2.gz AAFAFJQGOXYCNR-AVRDEDQJSA-N 1 1 406.530 3.777 20 30 HHEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431671084 978424986 /nfs/dbraw/zinc/42/49/86/978424986.db2.gz BQSPZOYOVYCEDJ-YKSBVNFPSA-N 1 1 420.557 3.769 20 30 HHEDMO C[C@H](CNC(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000431810894 978530311 /nfs/dbraw/zinc/53/03/11/978530311.db2.gz ICGFVKLHJDZAIT-QPPBQGQZSA-N 1 1 419.573 3.931 20 30 HHEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431977750 978627663 /nfs/dbraw/zinc/62/76/63/978627663.db2.gz PMQZUIYWWJYXTJ-URXFXBBRSA-N 1 1 419.573 3.931 20 30 HHEDMO C[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000432192557 978707802 /nfs/dbraw/zinc/70/78/02/978707802.db2.gz NPYLRUHGXVUBFI-HXUWFJFHSA-N 1 1 418.541 3.790 20 30 HHEDMO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000432531949 978868623 /nfs/dbraw/zinc/86/86/23/978868623.db2.gz QHYVYZYLBMFAKS-GOSISDBHSA-N 1 1 424.570 3.757 20 30 HHEDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)C1 ZINC000432918304 979011258 /nfs/dbraw/zinc/01/12/58/979011258.db2.gz OHQPNBADDVRSQB-DEOSSOPVSA-N 1 1 404.514 3.891 20 30 HHEDMO N#CCCn1cc(C[NH2+]Cc2nnc(-c3ccccc3)s2)c(-c2ccncc2)n1 ZINC000433320498 979234650 /nfs/dbraw/zinc/23/46/50/979234650.db2.gz UUVBXCJYOWXHEC-UHFFFAOYSA-N 1 1 401.499 3.667 20 30 HHEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433366817 979257840 /nfs/dbraw/zinc/25/78/40/979257840.db2.gz OVDLVKQIXGJNNZ-DHIUTWEWSA-N 1 1 405.542 3.978 20 30 HHEDMO C[C@H]1C[N@@H+](CCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCO1 ZINC000433487835 979332403 /nfs/dbraw/zinc/33/24/03/979332403.db2.gz LGUFNVZIAZUIMA-SFHVURJKSA-N 1 1 408.502 3.973 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cc(F)c(Cl)cc3F)CC2)cc1 ZINC000434869839 980459052 /nfs/dbraw/zinc/45/90/52/980459052.db2.gz AMKJQKNVPZAWNC-UHFFFAOYSA-N 1 1 418.875 3.907 20 30 HHEDMO CCOc1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)ccc1O[C@H](C)C(=O)N(C)C ZINC000434979396 980546208 /nfs/dbraw/zinc/54/62/08/980546208.db2.gz SUWPPBVNLDTHOR-MRXNPFEDSA-N 1 1 413.493 3.584 20 30 HHEDMO CCOc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)ccc1O[C@H](C)C(=O)N(C)C ZINC000434979396 980546213 /nfs/dbraw/zinc/54/62/13/980546213.db2.gz SUWPPBVNLDTHOR-MRXNPFEDSA-N 1 1 413.493 3.584 20 30 HHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000435025375 980580596 /nfs/dbraw/zinc/58/05/96/980580596.db2.gz ISRWIXVUWYDVHI-ILBGXUMGSA-N 1 1 403.526 3.760 20 30 HHEDMO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000435127704 980659047 /nfs/dbraw/zinc/65/90/47/980659047.db2.gz YBIPCVQCKUVDPF-JTSKRJEESA-N 1 1 405.477 3.960 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000435127704 980659049 /nfs/dbraw/zinc/65/90/49/980659049.db2.gz YBIPCVQCKUVDPF-JTSKRJEESA-N 1 1 405.477 3.960 20 30 HHEDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000436431827 981366003 /nfs/dbraw/zinc/36/60/03/981366003.db2.gz JWDVBZMJYMFZOY-UHFFFAOYSA-N 1 1 417.538 3.546 20 30 HHEDMO FC(F)(F)Oc1ccc(C#CCN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000448461911 981795697 /nfs/dbraw/zinc/79/56/97/981795697.db2.gz OYZLIXSQWLWIEB-UHFFFAOYSA-N 1 1 404.432 3.633 20 30 HHEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448463938 981798215 /nfs/dbraw/zinc/79/82/15/981798215.db2.gz DXXFUXXBOMAXAI-YLJYHZDGSA-N 1 1 405.464 3.715 20 30 HHEDMO C=CCc1cc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(OC)c1OC ZINC000448468595 981807368 /nfs/dbraw/zinc/80/73/68/981807368.db2.gz VKKOOEGDOHDXRB-FPOVZHCZSA-N 1 1 413.562 3.591 20 30 HHEDMO CCCN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437350551 982001275 /nfs/dbraw/zinc/00/12/75/982001275.db2.gz XHXBTXLDQRORSC-HXUWFJFHSA-N 1 1 422.504 3.539 20 30 HHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460350647 982123132 /nfs/dbraw/zinc/12/31/32/982123132.db2.gz WWWDOMRGGBSYGV-UHFFFAOYSA-N 1 1 418.501 3.985 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460382248 982161049 /nfs/dbraw/zinc/16/10/49/982161049.db2.gz UNZVIVQSVVESRW-UHFFFAOYSA-N 1 1 404.356 3.816 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 ZINC000460480002 982272693 /nfs/dbraw/zinc/27/26/93/982272693.db2.gz LBPRSBJOINCHLA-SFHVURJKSA-N 1 1 417.513 3.972 20 30 HHEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460545553 982331809 /nfs/dbraw/zinc/33/18/09/982331809.db2.gz AGLZMRIMQUWVPU-NNWRFLSQSA-N 1 1 409.578 3.847 20 30 HHEDMO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460559944 982345822 /nfs/dbraw/zinc/34/58/22/982345822.db2.gz NKVODHLUTYRKOP-IBGZPJMESA-N 1 1 411.550 3.505 20 30 HHEDMO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000460562802 982348546 /nfs/dbraw/zinc/34/85/46/982348546.db2.gz IGOFFYGDOCJNDM-XZOQPEGZSA-N 1 1 422.621 3.612 20 30 HHEDMO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460574414 982358205 /nfs/dbraw/zinc/35/82/05/982358205.db2.gz NAIPSBGCSLHTMS-KNQAVFIVSA-N 1 1 419.577 3.873 20 30 HHEDMO CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000437850873 982407619 /nfs/dbraw/zinc/40/76/19/982407619.db2.gz IGMKGDXIFBTWSJ-BJKOFHAPSA-N 1 1 418.541 3.730 20 30 HHEDMO CCOCCCn1c([C@@H](C)CC)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460795131 982547859 /nfs/dbraw/zinc/54/78/59/982547859.db2.gz YOGVQSVDKBACIU-FQEVSTJZSA-N 1 1 424.593 3.802 20 30 HHEDMO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460800380 982552555 /nfs/dbraw/zinc/55/25/55/982552555.db2.gz DJWQJRSJMGQJAW-RDGATRHJSA-N 1 1 421.589 3.851 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460945355 982681310 /nfs/dbraw/zinc/68/13/10/982681310.db2.gz AFSBMLGHPZDJDJ-MJGOQNOKSA-N 1 1 413.566 3.847 20 30 HHEDMO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000460960129 982691979 /nfs/dbraw/zinc/69/19/79/982691979.db2.gz PGVMLIIBPOFDNC-YLJYHZDGSA-N 1 1 413.566 3.705 20 30 HHEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000460961429 982692804 /nfs/dbraw/zinc/69/28/04/982692804.db2.gz VQNCZRPVPNWESZ-UHFFFAOYSA-N 1 1 420.536 3.691 20 30 HHEDMO COc1cc(OC)cc(OCCC[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000438545115 982883631 /nfs/dbraw/zinc/88/36/31/982883631.db2.gz LLKZSBLHJAEUPA-UHFFFAOYSA-N 1 1 417.893 3.568 20 30 HHEDMO COc1cc(OC)cc(OCCC[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000438545115 982883645 /nfs/dbraw/zinc/88/36/45/982883645.db2.gz LLKZSBLHJAEUPA-UHFFFAOYSA-N 1 1 417.893 3.568 20 30 HHEDMO C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000438654470 982972581 /nfs/dbraw/zinc/97/25/81/982972581.db2.gz GNWWSBWPAOZBDI-INIZCTEOSA-N 1 1 412.465 3.579 20 30 HHEDMO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000438810507 983085216 /nfs/dbraw/zinc/08/52/16/983085216.db2.gz CDRVJPFYDBQTCW-OAHLLOKOSA-N 1 1 402.951 3.981 20 30 HHEDMO N#Cc1ccc(CSCC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461441994 983106775 /nfs/dbraw/zinc/10/67/75/983106775.db2.gz CXUSPUYUUWVLFS-DHIUTWEWSA-N 1 1 405.567 3.772 20 30 HHEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H]1C ZINC000461497563 983148969 /nfs/dbraw/zinc/14/89/69/983148969.db2.gz PYWADARHGYRGHS-IAGOWNOFSA-N 1 1 406.559 3.845 20 30 HHEDMO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000439228573 983319333 /nfs/dbraw/zinc/31/93/33/983319333.db2.gz HEZLIGPQIJHONA-GOSISDBHSA-N 1 1 406.486 3.537 20 30 HHEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000439328173 983367536 /nfs/dbraw/zinc/36/75/36/983367536.db2.gz WXRWTRWXZKMQJA-FCEUIQTBSA-N 1 1 422.598 3.725 20 30 HHEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC(C(=O)Nc4ccc(F)cc4)CC3)o2)cc1 ZINC000439881251 983567335 /nfs/dbraw/zinc/56/73/35/983567335.db2.gz MEYDZAXQVXIPSG-UHFFFAOYSA-N 1 1 405.433 3.598 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000440048989 983625091 /nfs/dbraw/zinc/62/50/91/983625091.db2.gz WDHSWJZWXHOBKC-UGKGYDQZSA-N 1 1 421.541 3.701 20 30 HHEDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440647190 983837070 /nfs/dbraw/zinc/83/70/70/983837070.db2.gz HFZXSPMENRRARL-HNNXBMFYSA-N 1 1 416.367 3.554 20 30 HHEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000440963986 984000378 /nfs/dbraw/zinc/00/03/78/984000378.db2.gz XBNQCOZVNSTGSS-HKUYNNGSSA-N 1 1 420.513 3.539 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441282514 984157542 /nfs/dbraw/zinc/15/75/42/984157542.db2.gz VQMBEXDSTIXUTN-YADHBBJMSA-N 1 1 420.557 3.712 20 30 HHEDMO CCOc1ccccc1CN1CC[N@H+](CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000441332733 984190172 /nfs/dbraw/zinc/19/01/72/984190172.db2.gz RTJYRKGITGWQMP-QGZVFWFLSA-N 1 1 412.559 3.553 20 30 HHEDMO CCOc1ccccc1CN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000441332733 984190177 /nfs/dbraw/zinc/19/01/77/984190177.db2.gz RTJYRKGITGWQMP-QGZVFWFLSA-N 1 1 412.559 3.553 20 30 HHEDMO CCOc1ccccc1C[N@@H+]1CCN(CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000441332733 984190180 /nfs/dbraw/zinc/19/01/80/984190180.db2.gz RTJYRKGITGWQMP-QGZVFWFLSA-N 1 1 412.559 3.553 20 30 HHEDMO CCOc1ccccc1C[N@H+]1CCN(CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000441332733 984190182 /nfs/dbraw/zinc/19/01/82/984190182.db2.gz RTJYRKGITGWQMP-QGZVFWFLSA-N 1 1 412.559 3.553 20 30 HHEDMO N#Cc1c(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396160 984229059 /nfs/dbraw/zinc/22/90/59/984229059.db2.gz UDLKWAYNHSIEQF-JXFKEZNVSA-N 1 1 412.603 3.776 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)sc2c1CCCC2 ZINC000441396160 984229076 /nfs/dbraw/zinc/22/90/76/984229076.db2.gz UDLKWAYNHSIEQF-JXFKEZNVSA-N 1 1 412.603 3.776 20 30 HHEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)sc2c1CCCC2 ZINC000441396160 984229080 /nfs/dbraw/zinc/22/90/80/984229080.db2.gz UDLKWAYNHSIEQF-JXFKEZNVSA-N 1 1 412.603 3.776 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000441648451 984373268 /nfs/dbraw/zinc/37/32/68/984373268.db2.gz PRVCIRHDTHGSER-INIZCTEOSA-N 1 1 415.497 3.798 20 30 HHEDMO Cc1cccc(NC(=O)C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1C#N ZINC000441798246 984460889 /nfs/dbraw/zinc/46/08/89/984460889.db2.gz URBQVROPCVKRES-HDICACEKSA-N 1 1 418.541 3.600 20 30 HHEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000443080800 985366056 /nfs/dbraw/zinc/36/60/56/985366056.db2.gz SKQPIAIRQHQEIK-IHWFROFDSA-N 1 1 415.946 3.686 20 30 HHEDMO N#Cc1c(Cl)cccc1S(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000443094780 985372689 /nfs/dbraw/zinc/37/26/89/985372689.db2.gz MAXHVWJJTYICCN-UHFFFAOYSA-N 1 1 424.353 3.808 20 30 HHEDMO COc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000462483465 985439505 /nfs/dbraw/zinc/43/95/05/985439505.db2.gz LXBJFDBYBVGXOU-PGRDOPGGSA-N 1 1 406.530 3.761 20 30 HHEDMO C[C@H](c1cccc(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c1)[NH+]1CCOCC1 ZINC000443444705 985606855 /nfs/dbraw/zinc/60/68/55/985606855.db2.gz IAZLEZVUPFIUIH-OAHLLOKOSA-N 1 1 403.442 4.151 20 30 HHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000443456441 985626537 /nfs/dbraw/zinc/62/65/37/985626537.db2.gz QKRWPGMATMJBHL-IBGZPJMESA-N 1 1 403.448 3.693 20 30 HHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)cc2c1OCC2 ZINC000462790148 985724334 /nfs/dbraw/zinc/72/43/34/985724334.db2.gz LHRQWNZYZUQARP-UHFFFAOYSA-N 1 1 401.304 3.904 20 30 HHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)cc2c1OCC2 ZINC000462790148 985724345 /nfs/dbraw/zinc/72/43/45/985724345.db2.gz LHRQWNZYZUQARP-UHFFFAOYSA-N 1 1 401.304 3.904 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000443607701 985787374 /nfs/dbraw/zinc/78/73/74/985787374.db2.gz UZGIKLHMTWSWCE-NJDAHSKKSA-N 1 1 421.459 3.982 20 30 HHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000443607701 985787378 /nfs/dbraw/zinc/78/73/78/985787378.db2.gz UZGIKLHMTWSWCE-NJDAHSKKSA-N 1 1 421.459 3.982 20 30 HHEDMO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443627796 985806154 /nfs/dbraw/zinc/80/61/54/985806154.db2.gz JQFCQROPRFSMKZ-UHFFFAOYSA-N 1 1 404.905 3.694 20 30 HHEDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000443679051 985889679 /nfs/dbraw/zinc/88/96/79/985889679.db2.gz YRABCEILWWFYIG-BGYRXZFFSA-N 1 1 421.541 3.756 20 30 HHEDMO COc1ccccc1-c1noc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000463208002 986179022 /nfs/dbraw/zinc/17/90/22/986179022.db2.gz VHIWYIBNDVFFEC-KRWDZBQOSA-N 1 1 417.513 3.932 20 30 HHEDMO Cc1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)ccc1C#N ZINC000443981009 986184872 /nfs/dbraw/zinc/18/48/72/986184872.db2.gz BQPXHPGJPOGIAX-UHFFFAOYSA-N 1 1 402.464 3.927 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000463217740 986189353 /nfs/dbraw/zinc/18/93/53/986189353.db2.gz GEHQNPIVSFHNKG-MBDNFAEBSA-N 1 1 403.563 3.569 20 30 HHEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCC#N)Cc2ccco2)C1 ZINC000444140034 986328494 /nfs/dbraw/zinc/32/84/94/986328494.db2.gz LOTASRUJMGFWBV-UHFFFAOYSA-N 1 1 404.514 3.943 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444176261 986353591 /nfs/dbraw/zinc/35/35/91/986353591.db2.gz NYXSPZVXWZNGNQ-WMZOPIPTSA-N 1 1 409.555 3.974 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000444176261 986353600 /nfs/dbraw/zinc/35/36/00/986353600.db2.gz NYXSPZVXWZNGNQ-WMZOPIPTSA-N 1 1 409.555 3.974 20 30 HHEDMO N#C[C@@H]1N(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCC[C@]12CCCCO2 ZINC000468637724 986353930 /nfs/dbraw/zinc/35/39/30/986353930.db2.gz KFOXQNKRXFJLHN-NHCICSSKSA-N 1 1 410.562 3.947 20 30 HHEDMO C[N@H+](CCc1cccc(Br)c1)CC(=O)N(CCC#N)c1ccccc1 ZINC000463417234 986387203 /nfs/dbraw/zinc/38/72/03/986387203.db2.gz WQUFIKXEXOZGSL-UHFFFAOYSA-N 1 1 400.320 3.870 20 30 HHEDMO C[N@@H+](CCc1cccc(Br)c1)CC(=O)N(CCC#N)c1ccccc1 ZINC000463417234 986387210 /nfs/dbraw/zinc/38/72/10/986387210.db2.gz WQUFIKXEXOZGSL-UHFFFAOYSA-N 1 1 400.320 3.870 20 30 HHEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463437218 986413908 /nfs/dbraw/zinc/41/39/08/986413908.db2.gz QHSMGVBXUORYQZ-QHCPKHFHSA-N 1 1 409.555 3.558 20 30 HHEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463437218 986413909 /nfs/dbraw/zinc/41/39/09/986413909.db2.gz QHSMGVBXUORYQZ-QHCPKHFHSA-N 1 1 409.555 3.558 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1Cl ZINC000463439080 986415602 /nfs/dbraw/zinc/41/56/02/986415602.db2.gz YUWBFMBXRQSERD-HSZRJFAPSA-N 1 1 411.933 3.857 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000463442216 986420821 /nfs/dbraw/zinc/42/08/21/986420821.db2.gz KNVFXHPRZUYCHS-OFVILXPXSA-N 1 1 405.542 3.575 20 30 HHEDMO C[C@H]1C[NH+](CCOC2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000463663445 986644827 /nfs/dbraw/zinc/64/48/27/986644827.db2.gz IHAHYUCBTXMAJM-HOTGVXAUSA-N 1 1 411.468 3.672 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468981530 986687960 /nfs/dbraw/zinc/68/79/60/986687960.db2.gz KQCIEXUJSHHCCP-SFHVURJKSA-N 1 1 400.482 3.950 20 30 HHEDMO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@H+]1CC(C)(C)O ZINC000444552428 986743811 /nfs/dbraw/zinc/74/38/11/986743811.db2.gz PCTMYDLGYNKBOS-QGZVFWFLSA-N 1 1 409.555 3.627 20 30 HHEDMO N#CC(CC[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1)(c1ccccc1)c1ccccc1 ZINC000444600806 986787783 /nfs/dbraw/zinc/78/77/83/986787783.db2.gz CUOCAOXUIVZYQE-HSZRJFAPSA-N 1 1 419.594 3.926 20 30 HHEDMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000444651273 986834047 /nfs/dbraw/zinc/83/40/47/986834047.db2.gz USWJLABFOYLNLU-UHFFFAOYSA-N 1 1 422.367 3.692 20 30 HHEDMO CCOCCC[N@H+]1CC[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H](C)C1 ZINC000469138486 986858333 /nfs/dbraw/zinc/85/83/33/986858333.db2.gz WNGPHKJAHZGBCI-SIKLNZKXSA-N 1 1 412.578 3.818 20 30 HHEDMO N#CC(CC[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000444684267 986865093 /nfs/dbraw/zinc/86/50/93/986865093.db2.gz LCJVDHCXCBJQHK-GOSISDBHSA-N 1 1 415.459 3.887 20 30 HHEDMO CCC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000444767073 986927024 /nfs/dbraw/zinc/92/70/24/986927024.db2.gz OUJVWUHVZQNLBE-DEOSSOPVSA-N 1 1 408.546 3.590 20 30 HHEDMO C=CC[C@@H]1[N@@H+](CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CCCC1(C)C ZINC000444773997 986932657 /nfs/dbraw/zinc/93/26/57/986932657.db2.gz HDWCYIQUCCFTTD-CTNGQTDRSA-N 1 1 403.611 3.550 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469224071 986946603 /nfs/dbraw/zinc/94/66/03/986946603.db2.gz ZCGWUIKYBUBAMQ-UTKZUKDTSA-N 1 1 400.482 3.854 20 30 HHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444793183 986947832 /nfs/dbraw/zinc/94/78/32/986947832.db2.gz RIOUPABGZYMMCN-QGZVFWFLSA-N 1 1 411.933 3.856 20 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Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1Cl ZINC000470369322 988332375 /nfs/dbraw/zinc/33/23/75/988332375.db2.gz LTZLHVXFLYBJEO-IBGZPJMESA-N 1 1 402.970 3.559 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470964461 989028764 /nfs/dbraw/zinc/02/87/64/989028764.db2.gz YOHAZLKRBVXTTL-WMZOPIPTSA-N 1 1 414.619 3.879 20 30 HHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967653 989031675 /nfs/dbraw/zinc/03/16/75/989031675.db2.gz OHXHEKWFUNWRRK-IEBWSBKVSA-N 1 1 400.592 3.541 20 30 HHEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1 ZINC000464807171 989039264 /nfs/dbraw/zinc/03/92/64/989039264.db2.gz HBQLOQLUIYSOGN-UHFFFAOYSA-N 1 1 400.548 3.930 20 30 HHEDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464824132 989062788 /nfs/dbraw/zinc/06/27/88/989062788.db2.gz UFWPRGJPGYFZMN-UYAOXDASSA-N 1 1 408.458 3.704 20 30 HHEDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000464824132 989062797 /nfs/dbraw/zinc/06/27/97/989062797.db2.gz UFWPRGJPGYFZMN-UYAOXDASSA-N 1 1 408.458 3.704 20 30 HHEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000471010412 989079834 /nfs/dbraw/zinc/07/98/34/989079834.db2.gz GDZCOWKONSENTN-UYAOXDASSA-N 1 1 420.340 3.616 20 30 HHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000471152985 989267893 /nfs/dbraw/zinc/26/78/93/989267893.db2.gz UGSWOFFBVZXGMC-OAQYLSRUSA-N 1 1 417.469 3.675 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000471173645 989300610 /nfs/dbraw/zinc/30/06/10/989300610.db2.gz SQAKAOFTKGTAKF-GOSISDBHSA-N 1 1 402.502 3.507 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000471185244 989318468 /nfs/dbraw/zinc/31/84/68/989318468.db2.gz IHTOUZVXXNDULZ-QGZVFWFLSA-N 1 1 420.492 3.646 20 30 HHEDMO N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)nc1 ZINC000471275459 989426821 /nfs/dbraw/zinc/42/68/21/989426821.db2.gz AJZFJKTXDRWYDC-OAQYLSRUSA-N 1 1 412.493 3.997 20 30 HHEDMO C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000465966985 991115380 /nfs/dbraw/zinc/11/53/80/991115380.db2.gz JLWSSTJSPXBIMR-QFIPXVFZSA-N 1 1 406.574 3.637 20 30 HHEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000466299197 991550975 /nfs/dbraw/zinc/55/09/75/991550975.db2.gz SXUWUAKFIBIEKK-QFIPXVFZSA-N 1 1 410.562 3.887 20 30 HHEDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000466468271 991758772 /nfs/dbraw/zinc/75/87/72/991758772.db2.gz CYMBCFQRTGDOBM-RBUKOAKNSA-N 1 1 412.578 3.868 20 30 HHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000466597870 991914126 /nfs/dbraw/zinc/91/41/26/991914126.db2.gz BMJJBNYOUATIBM-IBGZPJMESA-N 1 1 407.518 3.892 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466616694 991932608 /nfs/dbraw/zinc/93/26/08/991932608.db2.gz OCQSUFMWTDLRCR-QUCCMNQESA-N 1 1 407.518 3.796 20 30 HHEDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000467135851 992452221 /nfs/dbraw/zinc/45/22/21/992452221.db2.gz KWEKVSOPPAPTCJ-CRAIPNDOSA-N 1 1 419.497 3.510 20 30 HHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)CC[C@@H]2CCCO2)c1C#N ZINC000467148742 992465167 /nfs/dbraw/zinc/46/51/67/992465167.db2.gz REUQWPSWRRTDHZ-FQEVSTJZSA-N 1 1 412.509 3.603 20 30 HHEDMO CCOC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC000467173435 992494307 /nfs/dbraw/zinc/49/43/07/992494307.db2.gz BNMFVGDTZXQPTP-UHFFFAOYSA-N 1 1 403.548 3.635 20 30 HHEDMO CCOC(=O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC000467173435 992494312 /nfs/dbraw/zinc/49/43/12/992494312.db2.gz BNMFVGDTZXQPTP-UHFFFAOYSA-N 1 1 403.548 3.635 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(CC=C)C2=O)cc1OCC ZINC000467511954 992791346 /nfs/dbraw/zinc/79/13/46/992791346.db2.gz MHLGGKTVJZOHIJ-QGZVFWFLSA-N 1 1 423.351 3.631 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(CC=C)C2=O)cc1OCC ZINC000467511954 992791348 /nfs/dbraw/zinc/79/13/48/992791348.db2.gz MHLGGKTVJZOHIJ-QGZVFWFLSA-N 1 1 423.351 3.631 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000467699679 992955559 /nfs/dbraw/zinc/95/55/59/992955559.db2.gz GUWYVTJXVDNXBP-UHFFFAOYSA-N 1 1 414.513 3.543 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000467699679 992955569 /nfs/dbraw/zinc/95/55/69/992955569.db2.gz GUWYVTJXVDNXBP-UHFFFAOYSA-N 1 1 414.513 3.543 20 30 HHEDMO CO[C@H](C)C[N@@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C(C)C ZINC000472246479 993273619 /nfs/dbraw/zinc/27/36/19/993273619.db2.gz ZPYZHJRCUSBLMA-MRXNPFEDSA-N 1 1 400.523 3.692 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCS[C@H](C)[C@@H]2C)c1C#N ZINC000472253193 993279222 /nfs/dbraw/zinc/27/92/22/993279222.db2.gz AYFAAFIPJZLJJI-DLBZAZTESA-N 1 1 400.548 3.772 20 30 HHEDMO CN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472466487 993468671 /nfs/dbraw/zinc/46/86/71/993468671.db2.gz AKJFOCAJADBCBB-FQEVSTJZSA-N 1 1 408.571 3.837 20 30 HHEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(Cl)cc2C#N)C(C)C)cc1 ZINC000480792878 993661617 /nfs/dbraw/zinc/66/16/17/993661617.db2.gz FMPNTVLRUILORV-NRFANRHFSA-N 1 1 415.921 3.820 20 30 HHEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(Cl)cc2C#N)C(C)C)cc1 ZINC000480792878 993661622 /nfs/dbraw/zinc/66/16/22/993661622.db2.gz FMPNTVLRUILORV-NRFANRHFSA-N 1 1 415.921 3.820 20 30 HHEDMO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000481064296 993904602 /nfs/dbraw/zinc/90/46/02/993904602.db2.gz UTOVHZUDSHABIH-LAUBAEHRSA-N 1 1 415.534 3.512 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000481065793 993906163 /nfs/dbraw/zinc/90/61/63/993906163.db2.gz YFQHMAPEZGGELM-KRWDZBQOSA-N 1 1 415.534 3.549 20 30 HHEDMO N#Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c(Br)c1 ZINC000481272909 994089995 /nfs/dbraw/zinc/08/99/95/994089995.db2.gz XMOXNDVGYNYZTG-SFHVURJKSA-N 1 1 416.363 3.935 20 30 HHEDMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000481440461 994275934 /nfs/dbraw/zinc/27/59/34/994275934.db2.gz TYMQDWOMRSXOND-HTAPYJJXSA-N 1 1 405.477 3.574 20 30 HHEDMO CC(C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(Cl)c1F ZINC000473436479 994286967 /nfs/dbraw/zinc/28/69/67/994286967.db2.gz PSJAVMCCKNCKEI-UHFFFAOYSA-N 1 1 411.868 4.000 20 30 HHEDMO CCc1nc(C[NH+]2CCC(CNC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cs1 ZINC000473538275 994397759 /nfs/dbraw/zinc/39/77/59/994397759.db2.gz HHOHIZAHPWITOC-UHFFFAOYSA-N 1 1 408.571 3.637 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000481568655 994404464 /nfs/dbraw/zinc/40/44/64/994404464.db2.gz KOYSKWVGCZMVBY-HSZRJFAPSA-N 1 1 415.484 3.643 20 30 HHEDMO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000473567534 994435657 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30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCS[C@H](C)CC2)c1C#N ZINC000494078243 1000297054 /nfs/dbraw/zinc/29/70/54/1000297054.db2.gz KBJDUGQLDTULFC-CQSZACIVSA-N 1 1 400.523 3.871 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCS[C@H](C)CC2)c1C#N ZINC000494078243 1000297061 /nfs/dbraw/zinc/29/70/61/1000297061.db2.gz KBJDUGQLDTULFC-CQSZACIVSA-N 1 1 400.523 3.871 20 30 HHEDMO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCc2sccc2C1 ZINC000505025194 1000513180 /nfs/dbraw/zinc/51/31/80/1000513180.db2.gz YYGDANOXABTDEO-HNNXBMFYSA-N 1 1 421.488 3.864 20 30 HHEDMO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@H+]1CCc2sccc2C1 ZINC000505025194 1000513188 /nfs/dbraw/zinc/51/31/88/1000513188.db2.gz YYGDANOXABTDEO-HNNXBMFYSA-N 1 1 421.488 3.864 20 30 HHEDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494884664 1000711338 /nfs/dbraw/zinc/71/13/38/1000711338.db2.gz BOTBAWYGPJHXCC-QZTJIDSGSA-N 1 1 400.567 3.724 20 30 HHEDMO N#C[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1c(Cl)cccc1Cl ZINC000505478697 1000803167 /nfs/dbraw/zinc/80/31/67/1000803167.db2.gz BJVUJHVIXPXHSB-LPHOPBHVSA-N 1 1 418.324 3.965 20 30 HHEDMO N#C[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c(Cl)cccc1Cl ZINC000505478697 1000803174 /nfs/dbraw/zinc/80/31/74/1000803174.db2.gz BJVUJHVIXPXHSB-LPHOPBHVSA-N 1 1 418.324 3.965 20 30 HHEDMO COc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OCCCC#N ZINC000505595232 1000926251 /nfs/dbraw/zinc/92/62/51/1000926251.db2.gz BYRATGJHHJEBPF-UHFFFAOYSA-N 1 1 410.474 3.608 20 30 HHEDMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000505630175 1000943136 /nfs/dbraw/zinc/94/31/36/1000943136.db2.gz FOAWOQGHVFSNAX-UHFFFAOYSA-N 1 1 419.504 3.741 20 30 HHEDMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000505630175 1000943143 /nfs/dbraw/zinc/94/31/43/1000943143.db2.gz FOAWOQGHVFSNAX-UHFFFAOYSA-N 1 1 419.504 3.741 20 30 HHEDMO CC(C)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nnc2ccccn21 ZINC000495390550 1000996192 /nfs/dbraw/zinc/99/61/92/1000996192.db2.gz FUNHGSICHBUULP-HXUWFJFHSA-N 1 1 422.558 3.857 20 30 HHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000505799232 1001032708 /nfs/dbraw/zinc/03/27/08/1001032708.db2.gz NWMUAXQXXMQGLR-HOYKHHGWSA-N 1 1 413.562 3.796 20 30 HHEDMO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cc2F)CC1 ZINC000505800688 1001033446 /nfs/dbraw/zinc/03/34/46/1001033446.db2.gz DNKRBDYPIXCUMR-IBGZPJMESA-N 1 1 400.885 3.616 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000505905900 1001091612 /nfs/dbraw/zinc/09/16/12/1001091612.db2.gz JNIXVLNADRZMQS-FGZHOGPDSA-N 1 1 424.589 3.826 20 30 HHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000505905901 1001091720 /nfs/dbraw/zinc/09/17/20/1001091720.db2.gz JNIXVLNADRZMQS-VXKWHMMOSA-N 1 1 424.589 3.826 20 30 HHEDMO C=CCc1ccc(OCC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000505929361 1001109179 /nfs/dbraw/zinc/10/91/79/1001109179.db2.gz CIYQKIZZRIKUJD-TZIWHRDSSA-N 1 1 400.563 3.916 20 30 HHEDMO C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000506174803 1001260525 /nfs/dbraw/zinc/26/05/25/1001260525.db2.gz FXHFMUTXXLNZSU-IBGZPJMESA-N 1 1 421.541 3.738 20 30 HHEDMO N#Cc1ccc2ncc(CN3CCC[N@H+](Cc4ccc(C(F)(F)F)cc4)CC3)n2c1 ZINC000506296536 1001337010 /nfs/dbraw/zinc/33/70/10/1001337010.db2.gz ABUIDEIZDIEDPC-UHFFFAOYSA-N 1 1 413.447 3.933 20 30 HHEDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000497399778 1001338440 /nfs/dbraw/zinc/33/84/40/1001338440.db2.gz PCSAJSWILZUKGT-LOSJGSFVSA-N 1 1 411.505 3.965 20 30 HHEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@H](C)O1 ZINC000506354981 1001373796 /nfs/dbraw/zinc/37/37/96/1001373796.db2.gz FPZOVAFIUKGKLR-ROUUACIJSA-N 1 1 423.532 3.901 20 30 HHEDMO N#Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000497659610 1001475537 /nfs/dbraw/zinc/47/55/37/1001475537.db2.gz KGSKXOOQQHNVHB-IBGZPJMESA-N 1 1 402.420 3.651 20 30 HHEDMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000506689869 1001494897 /nfs/dbraw/zinc/49/48/97/1001494897.db2.gz NYLTVBLSNAYMLA-UHFFFAOYSA-N 1 1 406.921 3.731 20 30 HHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000506757294 1001515702 /nfs/dbraw/zinc/51/57/02/1001515702.db2.gz FKBNFHKDGUXUKM-QGZVFWFLSA-N 1 1 400.542 3.540 20 30 HHEDMO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000507241099 1001926955 /nfs/dbraw/zinc/92/69/55/1001926955.db2.gz XATMSMDPPJMWFO-UXHICEINSA-N 1 1 413.562 3.693 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000507307672 1001987992 /nfs/dbraw/zinc/98/79/92/1001987992.db2.gz YPKBVMLUPUWATB-FDDCHVKYSA-N 1 1 405.583 3.751 20 30 HHEDMO CC(C)(C)NC(=O)CN1CCC(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507654711 1002253237 /nfs/dbraw/zinc/25/32/37/1002253237.db2.gz WMGOKHIXJZBHTJ-UHFFFAOYSA-N 1 1 410.606 3.607 20 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N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc([C@@H]4CCCOC4)c3)CC2)cc1 ZINC000499196098 1002584952 /nfs/dbraw/zinc/58/49/52/1002584952.db2.gz SMTRHMTUMIYRBA-XMMPIXPASA-N 1 1 403.526 3.800 20 30 HHEDMO CCC[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@H+]1CCOC ZINC000499445776 1002832869 /nfs/dbraw/zinc/83/28/69/1002832869.db2.gz ZQNLLBHJVQBHIR-QHCPKHFHSA-N 1 1 421.541 3.710 20 30 HHEDMO C=CCN1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(OC)c(Br)c2)C1=O ZINC000499512992 1002902086 /nfs/dbraw/zinc/90/20/86/1002902086.db2.gz AFFZDEVZXFSVOX-UYAOXDASSA-N 1 1 415.331 3.924 20 30 HHEDMO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000508478307 1002962796 /nfs/dbraw/zinc/96/27/96/1002962796.db2.gz QJSDHVSLOXXPAV-HXUWFJFHSA-N 1 1 420.561 3.616 20 30 HHEDMO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000508497485 1002980696 /nfs/dbraw/zinc/98/06/96/1002980696.db2.gz LKZMHDSJWHSRJW-VQIMIIECSA-N 1 1 401.942 3.852 20 30 HHEDMO C[NH+](C)Cc1cnc(CNc2nnc(SCc3ccc(C#N)cc3)s2)s1 ZINC000508502044 1002983803 /nfs/dbraw/zinc/98/38/03/1002983803.db2.gz IPOCAZJHGNSXEV-UHFFFAOYSA-N 1 1 402.574 3.832 20 30 HHEDMO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508716951 1003157293 /nfs/dbraw/zinc/15/72/93/1003157293.db2.gz RPDXYEAGDROLHT-UYAOXDASSA-N 1 1 423.561 3.505 20 30 HHEDMO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508807985 1003234824 /nfs/dbraw/zinc/23/48/24/1003234824.db2.gz FUMHRRRFHKYYKB-IRLDBZIGSA-N 1 1 407.562 3.634 20 30 HHEDMO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000508860323 1003280495 /nfs/dbraw/zinc/28/04/95/1003280495.db2.gz ZECLUMYKHBFLBL-KSSFIOAISA-N 1 1 422.360 3.595 20 30 HHEDMO CCN(C(=O)COc1ccc(C#N)cc1OC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500008723 1003333102 /nfs/dbraw/zinc/33/31/02/1003333102.db2.gz VDJFVOVVYBZXHS-WIYYLYMNSA-N 1 1 407.514 3.630 20 30 HHEDMO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000508936655 1003384029 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BEWSYGLBFXHLFS-KRWDZBQOSA-N 1 1 405.365 3.639 20 30 HHEDMO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000509523605 1003922504 /nfs/dbraw/zinc/92/25/04/1003922504.db2.gz GJAWFMSIEDPVOJ-UHFFFAOYSA-N 1 1 402.473 3.994 20 30 HHEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1C ZINC000500747822 1003934950 /nfs/dbraw/zinc/93/49/50/1003934950.db2.gz ZATIAPNPCOVAAX-PXNSSMCTSA-N 1 1 407.562 3.931 20 30 HHEDMO C[NH+](C)Cc1cc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)ccc1Cl ZINC000500751015 1003936568 /nfs/dbraw/zinc/93/65/68/1003936568.db2.gz VJBRAODBZHXPTJ-UHFFFAOYSA-N 1 1 419.934 3.731 20 30 HHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000500829563 1003987495 /nfs/dbraw/zinc/98/74/95/1003987495.db2.gz DEWMWJHZFOUXIT-KRWDZBQOSA-N 1 1 415.534 3.549 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@@H](N3CCCC3)C[C@H]2C)c1C#N ZINC000512171391 1004074826 /nfs/dbraw/zinc/07/48/26/1004074826.db2.gz XICQVLZUMPIVLW-XLIONFOSSA-N 1 1 423.561 3.505 20 30 HHEDMO 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ZINC000512480699 1004333686 /nfs/dbraw/zinc/33/36/86/1004333686.db2.gz PSFANDTYIKNTKL-UHFFFAOYSA-N 1 1 401.514 3.533 20 30 HHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000512511794 1004352100 /nfs/dbraw/zinc/35/21/00/1004352100.db2.gz LWRLFNIZESDBTJ-QPPBQGQZSA-N 1 1 423.605 3.621 20 30 HHEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501388321 1004384235 /nfs/dbraw/zinc/38/42/35/1004384235.db2.gz UCVMKAYYZZFWFA-CTNGQTDRSA-N 1 1 411.546 3.770 20 30 HHEDMO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512563410 1004387468 /nfs/dbraw/zinc/38/74/68/1004387468.db2.gz DKNGEQNQGRAAOU-KRWDZBQOSA-N 1 1 418.419 3.982 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000501448320 1004428173 /nfs/dbraw/zinc/42/81/73/1004428173.db2.gz WLVXAPQUWFNKFZ-QZTJIDSGSA-N 1 1 423.561 3.594 20 30 HHEDMO Cn1c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc2cc(Cl)ccc21 ZINC000512638614 1004450229 /nfs/dbraw/zinc/45/02/29/1004450229.db2.gz NQSZPSUTXRSCGV-UHFFFAOYSA-N 1 1 407.905 3.949 20 30 HHEDMO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCOc3c(Br)cccc32)c(C#N)c1C ZINC000501519644 1004485050 /nfs/dbraw/zinc/48/50/50/1004485050.db2.gz BSIDOCWGNDMDSY-BDJLRTHQSA-N 1 1 418.291 3.971 20 30 HHEDMO C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512696228 1004500782 /nfs/dbraw/zinc/50/07/82/1004500782.db2.gz ZPATYSQRIDXHEH-UYAOXDASSA-N 1 1 410.562 3.764 20 30 HHEDMO C=C(C)COc1cc(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC ZINC000512705856 1004507543 /nfs/dbraw/zinc/50/75/43/1004507543.db2.gz QYKKXCRNJQEWQL-OYRHEFFESA-N 1 1 401.595 3.641 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510405344 1004542542 /nfs/dbraw/zinc/54/25/42/1004542542.db2.gz BZJHUANQXLCYGN-DYESRHJHSA-N 1 1 405.477 3.758 20 30 HHEDMO C[C@]1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000501605974 1004547669 /nfs/dbraw/zinc/54/76/69/1004547669.db2.gz LAWACWVXRFJXIW-HXUWFJFHSA-N 1 1 402.420 3.757 20 30 HHEDMO N#Cc1ccc(OC2CC[NH+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)CC2)c(F)c1 ZINC000512800672 1004566061 /nfs/dbraw/zinc/56/60/61/1004566061.db2.gz GBJCSERKFAVHMJ-OAQYLSRUSA-N 1 1 411.452 3.875 20 30 HHEDMO Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512802852 1004568514 /nfs/dbraw/zinc/56/85/14/1004568514.db2.gz XKJFAMAZVDMHRI-SFHVURJKSA-N 1 1 409.505 3.596 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510451466 1004575527 /nfs/dbraw/zinc/57/55/27/1004575527.db2.gz ABJGMEHEKPFNGC-GOEBONIOSA-N 1 1 405.527 3.732 20 30 HHEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510451466 1004575533 /nfs/dbraw/zinc/57/55/33/1004575533.db2.gz ABJGMEHEKPFNGC-GOEBONIOSA-N 1 1 405.527 3.732 20 30 HHEDMO N#Cc1ccc(OC2CC[NH+](CC(=O)N[C@H](c3ccccc3)C3CC3)CC2)c(F)c1 ZINC000512838148 1004597600 /nfs/dbraw/zinc/59/76/00/1004597600.db2.gz BQLCFDYKVPKMTQ-XMMPIXPASA-N 1 1 407.489 3.808 20 30 HHEDMO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000501689414 1004606670 /nfs/dbraw/zinc/60/66/70/1004606670.db2.gz OYSRQBNTSQDXMC-QDSKXPNFSA-N 1 1 419.569 3.837 20 30 HHEDMO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512846248 1004607625 /nfs/dbraw/zinc/60/76/25/1004607625.db2.gz YLHNSDWQSGZADK-GOSISDBHSA-N 1 1 409.505 3.896 20 30 HHEDMO C[C@@H]1C[N@@H+](C2CCN(Cc3cccc(OCc4ccccc4C#N)c3)CC2)CCO1 ZINC000510561188 1004704389 /nfs/dbraw/zinc/70/43/89/1004704389.db2.gz UZYUOLPRQGCRRI-HXUWFJFHSA-N 1 1 405.542 3.822 20 30 HHEDMO C[C@@H]1C[N@H+](C2CCN(Cc3cccc(OCc4ccccc4C#N)c3)CC2)CCO1 ZINC000510561188 1004704395 /nfs/dbraw/zinc/70/43/95/1004704395.db2.gz UZYUOLPRQGCRRI-HXUWFJFHSA-N 1 1 405.542 3.822 20 30 HHEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510592272 1004739408 /nfs/dbraw/zinc/73/94/08/1004739408.db2.gz PEGWJUKKZQNYDX-HXUWFJFHSA-N 1 1 424.570 3.552 20 30 HHEDMO COc1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000510595413 1004741149 /nfs/dbraw/zinc/74/11/49/1004741149.db2.gz GJWMMWVFESQKCN-DEOSSOPVSA-N 1 1 408.498 3.527 20 30 HHEDMO COc1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000510595413 1004741156 /nfs/dbraw/zinc/74/11/56/1004741156.db2.gz GJWMMWVFESQKCN-DEOSSOPVSA-N 1 1 408.498 3.527 20 30 HHEDMO CCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510600385 1004745090 /nfs/dbraw/zinc/74/50/90/1004745090.db2.gz LWINTKNNJJYIRD-HDICACEKSA-N 1 1 422.529 3.888 20 30 HHEDMO CCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510600385 1004745097 /nfs/dbraw/zinc/74/50/97/1004745097.db2.gz LWINTKNNJJYIRD-HDICACEKSA-N 1 1 422.529 3.888 20 30 HHEDMO N#CCN1CC[NH+](Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC1 ZINC000513138617 1004826590 /nfs/dbraw/zinc/82/65/90/1004826590.db2.gz JIBBMFNJJRMBNH-UHFFFAOYSA-N 1 1 403.313 3.887 20 30 HHEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510785450 1004850903 /nfs/dbraw/zinc/85/09/03/1004850903.db2.gz YOZSCBNEHKPUMR-GOSISDBHSA-N 1 1 401.555 3.524 20 30 HHEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510785450 1004850907 /nfs/dbraw/zinc/85/09/07/1004850907.db2.gz YOZSCBNEHKPUMR-GOSISDBHSA-N 1 1 401.555 3.524 20 30 HHEDMO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502153032 1004925942 /nfs/dbraw/zinc/92/59/42/1004925942.db2.gz DZMVWKFIKCJRLB-MRXNPFEDSA-N 1 1 422.554 3.958 20 30 HHEDMO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000502166940 1004934485 /nfs/dbraw/zinc/93/44/85/1004934485.db2.gz AFJVTSPLRPBSAH-GOSISDBHSA-N 1 1 404.514 3.853 20 30 HHEDMO COc1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)cc1OCCCC#N ZINC000513386935 1004937830 /nfs/dbraw/zinc/93/78/30/1004937830.db2.gz SGIMFYSTFLPEDS-UHFFFAOYSA-N 1 1 400.548 3.542 20 30 HHEDMO CCOC(=O)CC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000502231723 1004969681 /nfs/dbraw/zinc/96/96/81/1004969681.db2.gz JQXVBYOXIBLKHS-UHFFFAOYSA-N 1 1 414.550 3.695 20 30 HHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000513454002 1004974141 /nfs/dbraw/zinc/97/41/41/1004974141.db2.gz BUZPPATZJIFFKL-INIZCTEOSA-N 1 1 409.711 3.846 20 30 HHEDMO C=CCOc1cccc(NC(=O)NCc2ccc(C[NH+]3CCN(CC)CC3)cc2)c1 ZINC000511020190 1004982971 /nfs/dbraw/zinc/98/29/71/1004982971.db2.gz WQNXZJFKAGLORY-UHFFFAOYSA-N 1 1 408.546 3.711 20 30 HHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502331064 1005016429 /nfs/dbraw/zinc/01/64/29/1005016429.db2.gz IRAPKGPUFNFQKT-OAQYLSRUSA-N 1 1 423.582 3.845 20 30 HHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502332545 1005017050 /nfs/dbraw/zinc/01/70/50/1005017050.db2.gz NJBUSSSCULKDDS-HXUWFJFHSA-N 1 1 415.497 3.922 20 30 HHEDMO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513588000 1005038151 /nfs/dbraw/zinc/03/81/51/1005038151.db2.gz FUABOJFGMIQJKA-WAWZGNHOSA-N 1 1 401.388 3.992 20 30 HHEDMO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513588000 1005038155 /nfs/dbraw/zinc/03/81/55/1005038155.db2.gz FUABOJFGMIQJKA-WAWZGNHOSA-N 1 1 401.388 3.992 20 30 HHEDMO N#C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513666853 1005074256 /nfs/dbraw/zinc/07/42/56/1005074256.db2.gz PKIFUMCEMHUSMC-KBMIEXCESA-N 1 1 410.477 3.506 20 30 HHEDMO N#C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513666853 1005074260 /nfs/dbraw/zinc/07/42/60/1005074260.db2.gz PKIFUMCEMHUSMC-KBMIEXCESA-N 1 1 410.477 3.506 20 30 HHEDMO N#C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@]12C(=O)Nc1ccccc12 ZINC000513671764 1005076127 /nfs/dbraw/zinc/07/61/27/1005076127.db2.gz MCOBPSUWQVIDNA-CJAUYULYSA-N 1 1 410.477 3.514 20 30 HHEDMO N#C[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)C[C@]12C(=O)Nc1ccccc12 ZINC000513671764 1005076132 /nfs/dbraw/zinc/07/61/32/1005076132.db2.gz MCOBPSUWQVIDNA-CJAUYULYSA-N 1 1 410.477 3.514 20 30 HHEDMO N#C[C@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513671738 1005076180 /nfs/dbraw/zinc/07/61/80/1005076180.db2.gz LRWZYDSXKOHDLF-NBGIEHNGSA-N 1 1 410.477 3.506 20 30 HHEDMO N#C[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513671738 1005076191 /nfs/dbraw/zinc/07/61/91/1005076191.db2.gz LRWZYDSXKOHDLF-NBGIEHNGSA-N 1 1 410.477 3.506 20 30 HHEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511214912 1005078136 /nfs/dbraw/zinc/07/81/36/1005078136.db2.gz GKYBKDDCGZFFHY-IEBWSBKVSA-N 1 1 400.523 3.945 20 30 HHEDMO C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1=CC[N@@H+](C)CC1 ZINC000511249554 1005090869 /nfs/dbraw/zinc/09/08/69/1005090869.db2.gz LNYGYLZJOZCAFG-MRXNPFEDSA-N 1 1 403.486 3.582 20 30 HHEDMO C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511250869 1005091831 /nfs/dbraw/zinc/09/18/31/1005091831.db2.gz HHKOVDVZSZLQON-QUCCMNQESA-N 1 1 410.562 3.764 20 30 HHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000513910782 1005183748 /nfs/dbraw/zinc/18/37/48/1005183748.db2.gz GGCFLZLPZBYRCQ-FQEVSTJZSA-N 1 1 424.932 3.567 20 30 HHEDMO O=C(NCC#Cc1cccc(F)c1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000513911918 1005184373 /nfs/dbraw/zinc/18/43/73/1005184373.db2.gz WMJURNLJNBXBJR-NRFANRHFSA-N 1 1 404.407 3.748 20 30 HHEDMO C=CCc1cc(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)cc(OC)c1OC ZINC000502739118 1005196607 /nfs/dbraw/zinc/19/66/07/1005196607.db2.gz KTQXKXRXNCYLQQ-UHFFFAOYSA-N 1 1 402.458 3.568 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000502743281 1005197850 /nfs/dbraw/zinc/19/78/50/1005197850.db2.gz JSFCBNJBNBAUBH-HNNXBMFYSA-N 1 1 404.580 3.550 20 30 HHEDMO C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000513999696 1005221530 /nfs/dbraw/zinc/22/15/30/1005221530.db2.gz PFCWBZUMWRTTTI-UHFFFAOYSA-N 1 1 420.557 3.775 20 30 HHEDMO CC1(C)C[N@H+](C2(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CCCCC2)CCO1 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C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460960127 982692011 /nfs/dbraw/zinc/69/20/11/982692011.db2.gz PGVMLIIBPOFDNC-PXNSSMCTSA-N 1 1 413.566 3.705 20 30 HHEDMO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000461214683 982927679 /nfs/dbraw/zinc/92/76/79/982927679.db2.gz YXFZCADIPURHKZ-GOSISDBHSA-N 1 1 407.539 3.504 20 30 HHEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000438645393 982963750 /nfs/dbraw/zinc/96/37/50/982963750.db2.gz KBAJPFAZTPOGTE-CPUCHLNUSA-N 1 1 410.440 3.683 20 30 HHEDMO CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000438661518 982979363 /nfs/dbraw/zinc/97/93/63/982979363.db2.gz SIPBNLOLYSFKLU-LPHOPBHVSA-N 1 1 424.932 3.834 20 30 HHEDMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438780825 983067430 /nfs/dbraw/zinc/06/74/30/983067430.db2.gz IWHVPMSUNQNOQQ-INIZCTEOSA-N 1 1 416.294 3.685 20 30 HHEDMO N#Cc1cccc(-c2nnc(C[NH+]3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)o2)c1 ZINC000438781072 983067508 /nfs/dbraw/zinc/06/75/08/983067508.db2.gz JQCBMIGFLXKJKL-UHFFFAOYSA-N 1 1 422.876 3.507 20 30 HHEDMO N#Cc1cc(F)cc(C2(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)CC2)c1 ZINC000461453964 983119608 /nfs/dbraw/zinc/11/96/08/983119608.db2.gz ZHSCQTZZTXZVIF-SFTDATJTSA-N 1 1 403.501 3.709 20 30 HHEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461458771 983125908 /nfs/dbraw/zinc/12/59/08/983125908.db2.gz UYCVUKLOYIVVTJ-YADHBBJMSA-N 1 1 403.526 3.696 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000439231430 983321163 /nfs/dbraw/zinc/32/11/63/983321163.db2.gz CERWZUABRGEDGN-GOSISDBHSA-N 1 1 417.962 3.744 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC3CCC4(CCOCC4)CC3)CC2)cc1 ZINC000439587154 983462331 /nfs/dbraw/zinc/46/23/31/983462331.db2.gz KNNDMNYTEPLTIV-UHFFFAOYSA-N 1 1 410.562 3.515 20 30 HHEDMO 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CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)cc1C#N ZINC000442083601 984628185 /nfs/dbraw/zinc/62/81/85/984628185.db2.gz SFHZOEIIHIGNFK-UHFFFAOYSA-N 1 1 420.513 3.559 20 30 HHEDMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[N@H+]1C ZINC000442167995 984690163 /nfs/dbraw/zinc/69/01/63/984690163.db2.gz JMOOUHHXCQARNK-XFQXTVEOSA-N 1 1 424.932 3.533 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000442663361 985138165 /nfs/dbraw/zinc/13/81/65/985138165.db2.gz JVXQWUHRLAIPCS-GOSISDBHSA-N 1 1 424.932 3.521 20 30 HHEDMO C=CCOc1cccc(NC(=O)C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000442668587 985144602 /nfs/dbraw/zinc/14/46/02/985144602.db2.gz AMSCEYDTGFGVOM-OAQYLSRUSA-N 1 1 421.541 3.561 20 30 HHEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1cccs1 ZINC000462307970 985293856 /nfs/dbraw/zinc/29/38/56/985293856.db2.gz YVCACLBPWQZIOE-KBXCAEBGSA-N 1 1 409.964 3.635 20 30 HHEDMO 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C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000443607699 985787035 /nfs/dbraw/zinc/78/70/35/985787035.db2.gz UZGIKLHMTWSWCE-HBMCJLEFSA-N 1 1 421.459 3.982 20 30 HHEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000443641954 985830815 /nfs/dbraw/zinc/83/08/15/985830815.db2.gz XHPYAQAACJBVHU-UZLBHIALSA-N 1 1 404.445 3.823 20 30 HHEDMO C[N@@H+](CCNC(=O)C1CCN(c2c(Cl)cccc2C#N)CC1)Cc1ccccc1 ZINC000462912974 985844461 /nfs/dbraw/zinc/84/44/61/985844461.db2.gz XORFQQGQXGNXAH-UHFFFAOYSA-N 1 1 410.949 3.676 20 30 HHEDMO N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1 ZINC000463214342 986186481 /nfs/dbraw/zinc/18/64/81/986186481.db2.gz PKUFGKRJOVQGSO-HBMCJLEFSA-N 1 1 403.954 3.992 20 30 HHEDMO COC(=O)c1ccccc1CC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000463232236 986200031 /nfs/dbraw/zinc/20/00/31/986200031.db2.gz RJEDRZHRALKEMY-UHFFFAOYSA-N 1 1 416.481 3.850 20 30 HHEDMO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000444034178 986230754 /nfs/dbraw/zinc/23/07/54/986230754.db2.gz ONGUFNDFEWJJGX-UHFFFAOYSA-N 1 1 401.557 3.525 20 30 HHEDMO Cc1c(C[NH+]2CCSCC2)cccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000444038742 986235958 /nfs/dbraw/zinc/23/59/58/986235958.db2.gz QHVCCSNHVDFGSH-UHFFFAOYSA-N 1 1 421.975 3.870 20 30 HHEDMO COc1cccc(C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C2CCC(O)CC2)c1 ZINC000444129823 986322495 /nfs/dbraw/zinc/32/24/95/986322495.db2.gz PDCGTIAFLXINBC-UHFFFAOYSA-N 1 1 407.514 3.701 20 30 HHEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)CC[C@H]2CCCC[N@H+]2C)c1C#N ZINC000444167025 986343119 /nfs/dbraw/zinc/34/31/19/986343119.db2.gz CXNOYYHMVAAYJA-JOCHJYFZSA-N 1 1 421.589 3.770 20 30 HHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)c1C ZINC000444169328 986344708 /nfs/dbraw/zinc/34/47/08/986344708.db2.gz QODITCFKXMCMNN-QGZVFWFLSA-N 1 1 413.484 3.596 20 30 HHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)c1C ZINC000444169328 986344715 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WSQHJQSKKXSNLB-HXUWFJFHSA-N 1 1 403.448 3.739 20 30 HHEDMO CC[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000472403221 993396713 /nfs/dbraw/zinc/39/67/13/993396713.db2.gz AVJJHWPPHJJGJA-YADHBBJMSA-N 1 1 409.555 3.712 20 30 HHEDMO CC[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000472403221 993396723 /nfs/dbraw/zinc/39/67/23/993396723.db2.gz AVJJHWPPHJJGJA-YADHBBJMSA-N 1 1 409.555 3.712 20 30 HHEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000472606987 993559010 /nfs/dbraw/zinc/55/90/10/993559010.db2.gz HJICQVLQTJYWGI-REWPJTCUSA-N 1 1 402.498 3.915 20 30 HHEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000472606987 993559015 /nfs/dbraw/zinc/55/90/15/993559015.db2.gz HJICQVLQTJYWGI-REWPJTCUSA-N 1 1 402.498 3.915 20 30 HHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000480737573 993603597 /nfs/dbraw/zinc/60/35/97/993603597.db2.gz PDWMWILVZSBVEW-KRWDZBQOSA-N 1 1 407.555 3.504 20 30 HHEDMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)CC2)CCO1 ZINC000472862055 993792643 /nfs/dbraw/zinc/79/26/43/993792643.db2.gz KQBBHTXGWIKCDB-FQEVSTJZSA-N 1 1 403.526 3.803 20 30 HHEDMO CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000480972086 993813267 /nfs/dbraw/zinc/81/32/67/993813267.db2.gz PVSNKHRRXNTPAE-GOSISDBHSA-N 1 1 406.596 3.559 20 30 HHEDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000480972086 993813273 /nfs/dbraw/zinc/81/32/73/993813273.db2.gz PVSNKHRRXNTPAE-GOSISDBHSA-N 1 1 406.596 3.559 20 30 HHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481050635 993892733 /nfs/dbraw/zinc/89/27/33/993892733.db2.gz BCVRAHZPKBRYMT-QGZVFWFLSA-N 1 1 415.534 3.691 20 30 HHEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000481113213 993949824 /nfs/dbraw/zinc/94/98/24/993949824.db2.gz IHZJKDTUXQXFNJ-HXUWFJFHSA-N 1 1 409.578 3.999 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185181 994016537 /nfs/dbraw/zinc/01/65/37/994016537.db2.gz WDMKSKISEKVRPT-VEXUSMLFSA-N 1 1 402.542 3.554 20 30 HHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185181 994016544 /nfs/dbraw/zinc/01/65/44/994016544.db2.gz WDMKSKISEKVRPT-VEXUSMLFSA-N 1 1 402.542 3.554 20 30 HHEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)ccc1OCCO ZINC000481300475 994115387 /nfs/dbraw/zinc/11/53/87/994115387.db2.gz KSOCYWDARWMPQR-ZDUSSCGKSA-N 1 1 405.292 3.551 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C3CCCC3)C(F)(F)F)CC2)cc1 ZINC000481363348 994191650 /nfs/dbraw/zinc/19/16/50/994191650.db2.gz JVBTVEBEGUTNQT-LJQANCHMSA-N 1 1 408.468 3.897 20 30 HHEDMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000481440468 994275801 /nfs/dbraw/zinc/27/58/01/994275801.db2.gz TYMQDWOMRSXOND-VGSWGCGISA-N 1 1 405.477 3.574 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000481588075 994432641 /nfs/dbraw/zinc/43/26/41/994432641.db2.gz SBBLDZQTPWJRSR-OYHNWAKOSA-N 1 1 416.468 3.690 20 30 HHEDMO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000473567535 994435393 /nfs/dbraw/zinc/43/53/93/994435393.db2.gz HICURJUNVSFSSS-SIKLNZKXSA-N 1 1 414.981 3.703 20 30 HHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1cc(OC)c(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481591423 994436693 /nfs/dbraw/zinc/43/66/93/994436693.db2.gz KTKNYIQAPOEWRJ-NRFANRHFSA-N 1 1 420.456 3.514 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1)c1ccc(F)c(F)c1 ZINC000481597737 994445242 /nfs/dbraw/zinc/44/52/42/994445242.db2.gz NBQVKZDQAMSDRT-VBKZILBWSA-N 1 1 402.441 3.663 20 30 HHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1)c1ccc(F)c(F)c1 ZINC000481597739 994445455 /nfs/dbraw/zinc/44/54/55/994445455.db2.gz NBQVKZDQAMSDRT-XOBRGWDASA-N 1 1 402.441 3.663 20 30 HHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(F)c(F)c1 ZINC000481602565 994452225 /nfs/dbraw/zinc/45/22/25/994452225.db2.gz WTBJSVHAJINLIO-RBBKRZOGSA-N 1 1 404.432 3.911 20 30 HHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000481621159 994482954 /nfs/dbraw/zinc/48/29/54/994482954.db2.gz DCXQPPXHOVVOKO-OYHNWAKOSA-N 1 1 418.484 3.936 20 30 HHEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000473727729 994622467 /nfs/dbraw/zinc/62/24/67/994622467.db2.gz XZVPIIJETHHDKA-UHFFFAOYSA-N 1 1 404.558 3.624 20 30 HHEDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)CC[N@H+]2C2CC2)c1 ZINC000482013319 994920140 /nfs/dbraw/zinc/92/01/40/994920140.db2.gz CKIDKGCVFNPORD-XZOQPEGZSA-N 1 1 401.510 3.958 20 30 HHEDMO C=CCNc1ncc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)s1 ZINC000474038255 995028446 /nfs/dbraw/zinc/02/84/46/995028446.db2.gz RPNNIPMUJCLYRN-KRWDZBQOSA-N 1 1 400.548 3.707 20 30 HHEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000482096954 995040304 /nfs/dbraw/zinc/04/03/04/995040304.db2.gz SMTQMKDTFOQDKV-HDICACEKSA-N 1 1 407.514 3.964 20 30 HHEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000482096954 995040314 /nfs/dbraw/zinc/04/03/14/995040314.db2.gz SMTQMKDTFOQDKV-HDICACEKSA-N 1 1 407.514 3.964 20 30 HHEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000474209992 995205236 /nfs/dbraw/zinc/20/52/36/995205236.db2.gz KOPCDCHPZFGGFC-HSZRJFAPSA-N 1 1 409.555 3.544 20 30 HHEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474321321 995305066 /nfs/dbraw/zinc/30/50/66/995305066.db2.gz LJCZHVRFTVJGCR-FQEVSTJZSA-N 1 1 404.407 3.977 20 30 HHEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474321321 995305072 /nfs/dbraw/zinc/30/50/72/995305072.db2.gz LJCZHVRFTVJGCR-FQEVSTJZSA-N 1 1 404.407 3.977 20 30 HHEDMO N#Cc1cccc(OCCC[N@@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000482860396 995798239 /nfs/dbraw/zinc/79/82/39/995798239.db2.gz AFTXWYXEKPMBFT-UHFFFAOYSA-N 1 1 415.493 3.646 20 30 HHEDMO CN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475140644 995949243 /nfs/dbraw/zinc/94/92/43/995949243.db2.gz SXXNCFQSEHBJMH-OAQYLSRUSA-N 1 1 415.459 3.973 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](CC2CCC2)[C@H](C)CO)c1C#N ZINC000483167591 996014098 /nfs/dbraw/zinc/01/40/98/996014098.db2.gz JCMODGGGSZDKPU-OAHLLOKOSA-N 1 1 412.509 3.526 20 30 HHEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000475269852 996036557 /nfs/dbraw/zinc/03/65/57/996036557.db2.gz PSDDBHYDWHONJH-UHFFFAOYSA-N 1 1 420.557 3.966 20 30 HHEDMO Cc1oc(NC(=O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c(C#N)c1C ZINC000483278156 996076953 /nfs/dbraw/zinc/07/69/53/996076953.db2.gz HMFWPYIQHQKADN-HNNXBMFYSA-N 1 1 415.799 3.702 20 30 HHEDMO Cc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccc1-n1cncn1 ZINC000475345110 996080671 /nfs/dbraw/zinc/08/06/71/996080671.db2.gz ZQTICUVFYRSVFT-JOCHJYFZSA-N 1 1 406.921 3.612 20 30 HHEDMO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)ccc1-n1cncn1 ZINC000475345111 996080841 /nfs/dbraw/zinc/08/08/41/996080841.db2.gz ZQTICUVFYRSVFT-QFIPXVFZSA-N 1 1 406.921 3.612 20 30 HHEDMO Cn1cc(CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)cc1C#N ZINC000483289015 996082882 /nfs/dbraw/zinc/08/28/82/996082882.db2.gz KSKQRHMQTJDKNF-UHFFFAOYSA-N 1 1 414.553 3.821 20 30 HHEDMO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000483400936 996152428 /nfs/dbraw/zinc/15/24/28/996152428.db2.gz DMGXIEMWLSEQBJ-CLOONOSVSA-N 1 1 422.525 3.916 20 30 HHEDMO COc1cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000483400936 996152431 /nfs/dbraw/zinc/15/24/31/996152431.db2.gz DMGXIEMWLSEQBJ-CLOONOSVSA-N 1 1 422.525 3.916 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cc1F ZINC000483954640 996489035 /nfs/dbraw/zinc/48/90/35/996489035.db2.gz XUFCIDLLFPKBHY-HNNXBMFYSA-N 1 1 417.282 3.706 20 30 HHEDMO CCS[C@@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000484241698 996654366 /nfs/dbraw/zinc/65/43/66/996654366.db2.gz GHSVKEPWBNYPCF-LEWJYISDSA-N 1 1 400.592 3.840 20 30 HHEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC=C(c3cccc(OC)c3)CC2)c(OC)c1 ZINC000476269400 996720334 /nfs/dbraw/zinc/72/03/34/996720334.db2.gz SNWGWGMXDAUYET-QFIPXVFZSA-N 1 1 409.526 3.961 20 30 HHEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476315173 996749916 /nfs/dbraw/zinc/74/99/16/996749916.db2.gz RCIUUZNIPGWOOA-LJQANCHMSA-N 1 1 417.962 3.744 20 30 HHEDMO N#CCc1ccc(Oc2ccc(C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)cc2)cc1 ZINC000476390880 996840030 /nfs/dbraw/zinc/84/00/30/996840030.db2.gz JEOJBEFDYHFQHV-OAQYLSRUSA-N 1 1 407.514 3.512 20 30 HHEDMO N#CC1(CS(=O)(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000476490594 996973660 /nfs/dbraw/zinc/97/36/60/996973660.db2.gz KSIHXPMRZXAEJB-UHFFFAOYSA-N 1 1 415.603 3.778 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)cc1OCC ZINC000484733117 997075498 /nfs/dbraw/zinc/07/54/98/997075498.db2.gz AYLSYFKYVFFKSK-JCQPUDPBSA-N 1 1 404.370 3.611 20 30 HHEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)cc1OCC ZINC000484733117 997075503 /nfs/dbraw/zinc/07/55/03/997075503.db2.gz AYLSYFKYVFFKSK-JCQPUDPBSA-N 1 1 404.370 3.611 20 30 HHEDMO CCOc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)nc2nc(C(F)(F)F)nn21 ZINC000485046040 997411432 /nfs/dbraw/zinc/41/14/32/997411432.db2.gz SBHURAHPIGLTAU-UHFFFAOYSA-N 1 1 418.423 3.824 20 30 HHEDMO C[N@@H+]1CC[C@@H](CNC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476979969 997599441 /nfs/dbraw/zinc/59/94/41/997599441.db2.gz KQQAZVOMZCYMBL-SCLBCKFNSA-N 1 1 407.276 3.822 20 30 HHEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476979969 997599453 /nfs/dbraw/zinc/59/94/53/997599453.db2.gz KQQAZVOMZCYMBL-SCLBCKFNSA-N 1 1 407.276 3.822 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000477011023 997644384 /nfs/dbraw/zinc/64/43/84/997644384.db2.gz KIGRVKYZXOGRMB-LJQANCHMSA-N 1 1 403.404 3.979 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000477011023 997644389 /nfs/dbraw/zinc/64/43/89/997644389.db2.gz KIGRVKYZXOGRMB-LJQANCHMSA-N 1 1 403.404 3.979 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cc1 ZINC000477066083 997712085 /nfs/dbraw/zinc/71/20/85/997712085.db2.gz JUNXXHNUQDMKCP-RUZDIDTESA-N 1 1 402.542 3.875 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)cc1 ZINC000477066083 997712088 /nfs/dbraw/zinc/71/20/88/997712088.db2.gz JUNXXHNUQDMKCP-RUZDIDTESA-N 1 1 402.542 3.875 20 30 HHEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000477068944 997716495 /nfs/dbraw/zinc/71/64/95/997716495.db2.gz KERBISIYRRYXMW-POXGOYDTSA-N 1 1 415.584 3.867 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000477075334 997725986 /nfs/dbraw/zinc/72/59/86/997725986.db2.gz ZVPJIUBNAYDORY-VWLOTQADSA-N 1 1 402.542 3.875 20 30 HHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000477075334 997725992 /nfs/dbraw/zinc/72/59/92/997725992.db2.gz 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HHEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000485831419 998297363 /nfs/dbraw/zinc/29/73/63/998297363.db2.gz GYKRXOPNQNEWQO-HNNXBMFYSA-N 1 1 403.935 3.945 20 30 HHEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000485831419 998297372 /nfs/dbraw/zinc/29/73/72/998297372.db2.gz GYKRXOPNQNEWQO-HNNXBMFYSA-N 1 1 403.935 3.945 20 30 HHEDMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)ccn2)CC1 ZINC000486008648 998452352 /nfs/dbraw/zinc/45/23/52/998452352.db2.gz SGUSVVVGZKPLQA-UHFFFAOYSA-N 1 1 413.481 3.750 20 30 HHEDMO CNC(=O)C[N@H+](CCCOc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000477761189 998509370 /nfs/dbraw/zinc/50/93/70/998509370.db2.gz OJIAUBOVQLWTIN-UHFFFAOYSA-N 1 1 405.420 3.594 20 30 HHEDMO CNC(=O)C[N@@H+](CCCOc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000477761189 998509390 /nfs/dbraw/zinc/50/93/90/998509390.db2.gz OJIAUBOVQLWTIN-UHFFFAOYSA-N 1 1 405.420 3.594 20 30 HHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C12CCC2 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/nfs/dbraw/zinc/50/39/80/1001503980.db2.gz RHRWDBJOUBHAOT-ZWKOTPCHSA-N 1 1 418.969 3.603 20 30 HHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000497750893 1001503982 /nfs/dbraw/zinc/50/39/82/1001503982.db2.gz RHRWDBJOUBHAOT-ZWKOTPCHSA-N 1 1 418.969 3.603 20 30 HHEDMO C=CCOc1cccc(C[NH+]2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c1 ZINC000506745384 1001511769 /nfs/dbraw/zinc/51/17/69/1001511769.db2.gz WQERHCJHQFQLHK-UHFFFAOYSA-N 1 1 412.530 3.595 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Br)c(F)c3)CC2)cc1 ZINC000497933086 1001569850 /nfs/dbraw/zinc/56/98/50/1001569850.db2.gz FMQJZYXTUGBSQZ-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Br)c(F)c3)CC2)cc1 ZINC000497933086 1001569852 /nfs/dbraw/zinc/56/98/52/1001569852.db2.gz FMQJZYXTUGBSQZ-UHFFFAOYSA-N 1 1 416.294 3.808 20 30 HHEDMO Cc1nc([C@H]2CCCOC2)sc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000498221763 1001704525 /nfs/dbraw/zinc/70/45/25/1001704525.db2.gz LCEXRSBNAFLBFW-IBGZPJMESA-N 1 1 424.570 3.634 20 30 HHEDMO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000507229596 1001916680 /nfs/dbraw/zinc/91/66/80/1001916680.db2.gz BZYQMSURJMUZBE-HSZRJFAPSA-N 1 1 420.553 3.910 20 30 HHEDMO N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000507287741 1001971827 /nfs/dbraw/zinc/97/18/27/1001971827.db2.gz ZAFFPUKHXCZZOQ-HXUWFJFHSA-N 1 1 423.944 3.870 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000507698357 1002290231 /nfs/dbraw/zinc/29/02/31/1002290231.db2.gz FPJQUFBGYHGEJM-LJQANCHMSA-N 1 1 421.545 3.906 20 30 HHEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000507698357 1002290227 /nfs/dbraw/zinc/29/02/27/1002290227.db2.gz FPJQUFBGYHGEJM-LJQANCHMSA-N 1 1 421.545 3.906 20 30 HHEDMO CC[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507702337 1002294154 /nfs/dbraw/zinc/29/41/54/1002294154.db2.gz PWDOBIRILFEPKA-SFHVURJKSA-N 1 1 410.949 3.943 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507800665 1002351696 /nfs/dbraw/zinc/35/16/96/1002351696.db2.gz DRMRPIRNNBNEMC-KRWDZBQOSA-N 1 1 400.482 3.977 20 30 HHEDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(F)c1 ZINC000507905714 1002440194 /nfs/dbraw/zinc/44/01/94/1002440194.db2.gz CDPWQSQONZDOHK-SIKLNZKXSA-N 1 1 407.468 3.918 20 30 HHEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)CC1 ZINC000508083808 1002604990 /nfs/dbraw/zinc/60/49/90/1002604990.db2.gz CHISAVLSXYMUFT-UHFFFAOYSA-N 1 1 422.577 3.574 20 30 HHEDMO C[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000508130129 1002661611 /nfs/dbraw/zinc/66/16/11/1002661611.db2.gz XPFXGJXHCYMHGO-IBGZPJMESA-N 1 1 418.541 3.558 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000508151211 1002686113 /nfs/dbraw/zinc/68/61/13/1002686113.db2.gz PJRNWUUPWCLECV-GOSISDBHSA-N 1 1 419.460 3.956 20 30 HHEDMO Cc1ccc(NC(=O)N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc1Cl ZINC000499581629 1002958501 /nfs/dbraw/zinc/95/85/01/1002958501.db2.gz IBFAEDJCXQZULB-UHFFFAOYSA-N 1 1 404.942 3.899 20 30 HHEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508499462 1002982097 /nfs/dbraw/zinc/98/20/97/1002982097.db2.gz ZNBZCMFNHYEICD-UGKGYDQZSA-N 1 1 407.562 3.805 20 30 HHEDMO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508738540 1003176909 /nfs/dbraw/zinc/17/69/09/1003176909.db2.gz GUVVDNOSQSXNEA-SIKLNZKXSA-N 1 1 407.562 3.805 20 30 HHEDMO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508794693 1003223029 /nfs/dbraw/zinc/22/30/29/1003223029.db2.gz LTFPTVHXGWGIPZ-QGZVFWFLSA-N 1 1 403.958 3.865 20 30 HHEDMO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508807986 1003234736 /nfs/dbraw/zinc/23/47/36/1003234736.db2.gz FUMHRRRFHKYYKB-RBBKRZOGSA-N 1 1 407.562 3.634 20 30 HHEDMO C=CCn1c(COCC)nnc1N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000508863253 1003283499 /nfs/dbraw/zinc/28/34/99/1003283499.db2.gz JCHDTWPBILHXCV-UHFFFAOYSA-N 1 1 424.376 3.672 20 30 HHEDMO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508876056 1003295630 /nfs/dbraw/zinc/29/56/30/1003295630.db2.gz WNSGKYLFFPVIIC-BGYRXZFFSA-N 1 1 424.593 3.550 20 30 HHEDMO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508894747 1003325078 /nfs/dbraw/zinc/32/50/78/1003325078.db2.gz MCNPPKNHJDVIPD-UHFFFAOYSA-N 1 1 402.546 3.952 20 30 HHEDMO C=CCN1CC[C@H]([N@H+](C)Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1=O ZINC000500011750 1003337039 /nfs/dbraw/zinc/33/70/39/1003337039.db2.gz NMZHXGFWQPKWED-INIZCTEOSA-N 1 1 400.935 3.935 20 30 HHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1=O ZINC000500011750 1003337082 /nfs/dbraw/zinc/33/70/82/1003337082.db2.gz NMZHXGFWQPKWED-INIZCTEOSA-N 1 1 400.935 3.935 20 30 HHEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000508903280 1003339850 /nfs/dbraw/zinc/33/98/50/1003339850.db2.gz OBEZIFYEHNXNBO-KRWDZBQOSA-N 1 1 404.543 3.947 20 30 HHEDMO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000508908689 1003349369 /nfs/dbraw/zinc/34/93/69/1003349369.db2.gz VLHSNHWRYRPNHV-UHFFFAOYSA-N 1 1 418.570 3.920 20 30 HHEDMO CN(C)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000508925977 1003368913 /nfs/dbraw/zinc/36/89/13/1003368913.db2.gz UPHVANBZMFZMEI-UHFFFAOYSA-N 1 1 413.525 3.521 20 30 HHEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500131695 1003491930 /nfs/dbraw/zinc/49/19/30/1003491930.db2.gz KAQMLARWFKBEKW-HNNXBMFYSA-N 1 1 415.431 3.854 20 30 HHEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000500532221 1003766995 /nfs/dbraw/zinc/76/69/95/1003766995.db2.gz CHRXJAQYDGVJMM-NHCUHLMSSA-N 1 1 417.937 3.958 20 30 HHEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000500532221 1003767004 /nfs/dbraw/zinc/76/70/04/1003767004.db2.gz CHRXJAQYDGVJMM-NHCUHLMSSA-N 1 1 417.937 3.958 20 30 HHEDMO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)C2)n1 ZINC000500744554 1003933843 /nfs/dbraw/zinc/93/38/43/1003933843.db2.gz OGCZFSUEQGHHOA-QGZVFWFLSA-N 1 1 411.937 3.832 20 30 HHEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CCc2ccncc2)c1C#N ZINC000501033898 1004136770 /nfs/dbraw/zinc/13/67/70/1004136770.db2.gz SVBYWIKAGAVFNQ-UHFFFAOYSA-N 1 1 405.502 3.516 20 30 HHEDMO COC(=O)CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(C)C ZINC000512271251 1004172234 /nfs/dbraw/zinc/17/22/34/1004172234.db2.gz PIYLLJJVYRAWOM-UHFFFAOYSA-N 1 1 402.539 3.694 20 30 HHEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Sc4ccccn4)o3)C2=O)cc1 ZINC000512336793 1004225730 /nfs/dbraw/zinc/22/57/30/1004225730.db2.gz DVQFEOIMVOFHOQ-LJQANCHMSA-N 1 1 404.495 3.983 20 30 HHEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000512428544 1004295223 /nfs/dbraw/zinc/29/52/23/1004295223.db2.gz VSMKIASMZAXRIR-UHFFFAOYSA-N 1 1 412.522 3.947 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@]2(C)CCCO)c1C#N ZINC000512434205 1004299333 /nfs/dbraw/zinc/29/93/33/1004299333.db2.gz VDVJSEPPMGFMJW-HSZRJFAPSA-N 1 1 412.509 3.670 20 30 HHEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510089692 1004315034 /nfs/dbraw/zinc/31/50/34/1004315034.db2.gz UIYDNGWTPJZHFR-CVDCTZTESA-N 1 1 421.589 3.763 20 30 HHEDMO C=C(C)CN(CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)Cc1cnn(C(C)C)c1 ZINC000512507277 1004349368 /nfs/dbraw/zinc/34/93/68/1004349368.db2.gz XKEXZQCGGRELGJ-JOCHJYFZSA-N 1 1 423.605 3.748 20 30 HHEDMO N#Cc1ccc(OC2CC[NH+](CC(=O)NC3(c4ccccc4)CCC3)CC2)c(F)c1 ZINC000512800612 1004565946 /nfs/dbraw/zinc/56/59/46/1004565946.db2.gz FEHCGSPFBXVUFN-UHFFFAOYSA-N 1 1 407.489 3.736 20 30 HHEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1Cl ZINC000510445854 1004572021 /nfs/dbraw/zinc/57/20/21/1004572021.db2.gz RCTIQNGCTAGNTM-UHFFFAOYSA-N 1 1 423.879 3.923 20 30 HHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)n2c1 ZINC000513056553 1004783011 /nfs/dbraw/zinc/78/30/11/1004783011.db2.gz JYZJIFJBKQYCJR-KRWDZBQOSA-N 1 1 402.433 3.775 20 30 HHEDMO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000513087818 1004798869 /nfs/dbraw/zinc/79/88/69/1004798869.db2.gz GOUSNTGDONHTBS-SFHVURJKSA-N 1 1 418.476 3.669 20 30 HHEDMO C[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[N@@H+]1CCc2sccc2C1 ZINC000513095477 1004803048 /nfs/dbraw/zinc/80/30/48/1004803048.db2.gz KKKSTCXXBDXQPO-AWEZNQCLSA-N 1 1 424.505 3.513 20 30 HHEDMO C[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[N@H+]1CCc2sccc2C1 ZINC000513095477 1004803056 /nfs/dbraw/zinc/80/30/56/1004803056.db2.gz KKKSTCXXBDXQPO-AWEZNQCLSA-N 1 1 424.505 3.513 20 30 HHEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)C1CC1 ZINC000510768403 1004841381 /nfs/dbraw/zinc/84/13/81/1004841381.db2.gz YPPPKMFVLPSYOD-UZUQRXQVSA-N 1 1 413.566 3.570 20 30 HHEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)C1CC1 ZINC000510768403 1004841389 /nfs/dbraw/zinc/84/13/89/1004841389.db2.gz YPPPKMFVLPSYOD-UZUQRXQVSA-N 1 1 413.566 3.570 20 30 HHEDMO Cc1nc(SCC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(C#N)c(C)c1C ZINC000513227893 1004870859 /nfs/dbraw/zinc/87/08/59/1004870859.db2.gz SJTUUXLOYNQPMP-HXUWFJFHSA-N 1 1 408.571 3.751 20 30 HHEDMO Cc1nc(SCC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(C#N)c(C)c1C ZINC000513227892 1004870938 /nfs/dbraw/zinc/87/09/38/1004870938.db2.gz SJTUUXLOYNQPMP-FQEVSTJZSA-N 1 1 408.571 3.751 20 30 HHEDMO C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000510912810 1004927990 /nfs/dbraw/zinc/92/79/90/1004927990.db2.gz BNWWGGKTKCKWFJ-QGZVFWFLSA-N 1 1 424.570 3.619 20 30 HHEDMO C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+]1CCc2sccc2C1 ZINC000510912810 1004927992 /nfs/dbraw/zinc/92/79/92/1004927992.db2.gz BNWWGGKTKCKWFJ-QGZVFWFLSA-N 1 1 424.570 3.619 20 30 HHEDMO COc1cc(C[NH2+][C@@H](c2nncn2C)C(C)C)ccc1OCc1cccc(C#N)c1 ZINC000510918488 1004931884 /nfs/dbraw/zinc/93/18/84/1004931884.db2.gz DUVMMYSDVBJDHT-JOCHJYFZSA-N 1 1 405.502 3.761 20 30 HHEDMO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000502166941 1004934619 /nfs/dbraw/zinc/93/46/19/1004934619.db2.gz AFJVTSPLRPBSAH-SFHVURJKSA-N 1 1 404.514 3.853 20 30 HHEDMO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502167516 1004934670 /nfs/dbraw/zinc/93/46/70/1004934670.db2.gz CAYZSQSWKKYHHG-KRWDZBQOSA-N 1 1 420.513 3.635 20 30 HHEDMO N#Cc1ccccc1OCC[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510947150 1004948512 /nfs/dbraw/zinc/94/85/12/1004948512.db2.gz MZDIYSHVZMMVQE-UHFFFAOYSA-N 1 1 415.291 3.691 20 30 HHEDMO COC(=O)c1ccc(Cl)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000511141158 1005041648 /nfs/dbraw/zinc/04/16/48/1005041648.db2.gz BHIKQBUYHUEKPS-UHFFFAOYSA-N 1 1 411.889 3.849 20 30 HHEDMO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4ncc(C#N)cc4Cl)CC3)n2)cc1 ZINC000513635435 1005059409 /nfs/dbraw/zinc/05/94/09/1005059409.db2.gz NKWVBKPRRMXISN-UHFFFAOYSA-N 1 1 422.920 3.720 20 30 HHEDMO C[C@H](CCOCc1ccccc1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000513706510 1005090276 /nfs/dbraw/zinc/09/02/76/1005090276.db2.gz RFKJBFLJGIXPSM-OAQYLSRUSA-N 1 1 420.557 3.771 20 30 HHEDMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502531393 1005105769 /nfs/dbraw/zinc/10/57/69/1005105769.db2.gz UYKBCIVGJYYTTN-UHFFFAOYSA-N 1 1 419.525 3.713 20 30 HHEDMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502531393 1005105773 /nfs/dbraw/zinc/10/57/73/1005105773.db2.gz UYKBCIVGJYYTTN-UHFFFAOYSA-N 1 1 419.525 3.713 20 30 HHEDMO C[C@H](OCCCNC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502554108 1005116382 /nfs/dbraw/zinc/11/63/82/1005116382.db2.gz PHDRIDCGPPCTSP-FQEVSTJZSA-N 1 1 403.526 3.931 20 30 HHEDMO C[C@H](OCCCNC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502554108 1005116385 /nfs/dbraw/zinc/11/63/85/1005116385.db2.gz PHDRIDCGPPCTSP-FQEVSTJZSA-N 1 1 403.526 3.931 20 30 HHEDMO C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000502638368 1005153660 /nfs/dbraw/zinc/15/36/60/1005153660.db2.gz YDRYPSCDHNQOQT-UHFFFAOYSA-N 1 1 423.517 3.513 20 30 HHEDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000511475453 1005192640 /nfs/dbraw/zinc/19/26/40/1005192640.db2.gz DWLANWJCLDEOES-DENIHFKCSA-N 1 1 421.541 3.500 20 30 HHEDMO N#Cc1cccc(COc2cccc(C[NH+]3CCN(Cc4cscn4)CC3)c2)c1 ZINC000511525747 1005210934 /nfs/dbraw/zinc/21/09/34/1005210934.db2.gz YJSHHTKCGNCFPX-UHFFFAOYSA-N 1 1 404.539 3.912 20 30 HHEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1)C1CC1 ZINC000511601058 1005240618 /nfs/dbraw/zinc/24/06/18/1005240618.db2.gz XXHJGTJKSRHMQA-UHFFFAOYSA-N 1 1 402.542 3.501 20 30 HHEDMO CC[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000514182219 1005301193 /nfs/dbraw/zinc/30/11/93/1005301193.db2.gz GCLUKQJDBPDBDC-DHIUTWEWSA-N 1 1 423.532 3.771 20 30 HHEDMO CC[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000514182219 1005301199 /nfs/dbraw/zinc/30/11/99/1005301199.db2.gz GCLUKQJDBPDBDC-DHIUTWEWSA-N 1 1 423.532 3.771 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1C#N ZINC000503074456 1005338865 /nfs/dbraw/zinc/33/88/65/1005338865.db2.gz KXJLKYJSMKLJRO-HTAPYJJXSA-N 1 1 416.529 3.684 20 30 HHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1C#N ZINC000503074456 1005338870 /nfs/dbraw/zinc/33/88/70/1005338870.db2.gz KXJLKYJSMKLJRO-HTAPYJJXSA-N 1 1 416.529 3.684 20 30 HHEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000503159597 1005359588 /nfs/dbraw/zinc/35/95/88/1005359588.db2.gz YOAOVXGKDNCBSK-HXUWFJFHSA-N 1 1 413.525 3.789 20 30 HHEDMO CCCn1nccc1C1CC[NH+](CC(=O)N(CCC#N)c2ccc(OCC)cc2)CC1 ZINC000503418112 1005414317 /nfs/dbraw/zinc/41/43/17/1005414317.db2.gz YNUYBPJCBHFDDV-UHFFFAOYSA-N 1 1 423.561 3.818 20 30 HHEDMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1)CC1CC1 ZINC000503707077 1005483800 /nfs/dbraw/zinc/48/38/00/1005483800.db2.gz HFIZHUJDAQTJCH-UHFFFAOYSA-N 1 1 409.983 3.734 20 30 HHEDMO C[N@H+]1CC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000534022643 1005994782 /nfs/dbraw/zinc/99/47/82/1005994782.db2.gz QITULJKRSVDBAX-FGZHOGPDSA-N 1 1 401.466 3.905 20 30 HHEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000534139743 1006119355 /nfs/dbraw/zinc/11/93/55/1006119355.db2.gz GGTHVSGFYOVRAQ-SFHVURJKSA-N 1 1 413.905 3.845 20 30 HHEDMO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cc1OCC ZINC000531564648 1006275675 /nfs/dbraw/zinc/27/56/75/1006275675.db2.gz GQEXKNBBBIJRHN-HNNXBMFYSA-N 1 1 406.324 3.783 20 30 HHEDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1sccc1Br ZINC000515111296 1006297358 /nfs/dbraw/zinc/29/73/58/1006297358.db2.gz JQZDDVRXTHMVAZ-MLGOLLRUSA-N 1 1 404.333 3.834 20 30 HHEDMO N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)c2)cc1 ZINC000531666170 1006340640 /nfs/dbraw/zinc/34/06/40/1006340640.db2.gz WHHCUVXLFUDKJH-DHIUTWEWSA-N 1 1 404.514 3.675 20 30 HHEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c1C#N ZINC000534469863 1006455774 /nfs/dbraw/zinc/45/57/74/1006455774.db2.gz JEYGCYQKNVPCSK-SFHVURJKSA-N 1 1 420.513 3.687 20 30 HHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c1C#N ZINC000534469863 1006455781 /nfs/dbraw/zinc/45/57/81/1006455781.db2.gz JEYGCYQKNVPCSK-SFHVURJKSA-N 1 1 420.513 3.687 20 30 HHEDMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1Cc1cccs1 ZINC000515676212 1006583894 /nfs/dbraw/zinc/58/38/94/1006583894.db2.gz XWAVYBXWJKUFKV-UHFFFAOYSA-N 1 1 420.586 3.780 20 30 HHEDMO C=CCc1ccc(OC[C@H](O)CN2CCC[N@@H+](CC3CCCCC3)CC2)c(OC)c1 ZINC000515744433 1006635834 /nfs/dbraw/zinc/63/58/34/1006635834.db2.gz HWKUYGDVAJHYOS-HSZRJFAPSA-N 1 1 416.606 3.751 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000534681365 1006659146 /nfs/dbraw/zinc/65/91/46/1006659146.db2.gz VUCOSGMTOILKNV-GOTSBHOMSA-N 1 1 404.514 3.556 20 30 HHEDMO N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)c2)cc1 ZINC000532173727 1006694343 /nfs/dbraw/zinc/69/43/43/1006694343.db2.gz BAKNWMVXPYIRRH-GOTSBHOMSA-N 1 1 405.498 3.724 20 30 HHEDMO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534833656 1006846430 /nfs/dbraw/zinc/84/64/30/1006846430.db2.gz FWKJDRLNTABRLY-SNVBAGLBSA-N 1 1 420.304 3.846 20 30 HHEDMO CC(C)Oc1cccc(CNC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000532409782 1006854869 /nfs/dbraw/zinc/85/48/69/1006854869.db2.gz DZJJSGQNRCVXLS-UHFFFAOYSA-N 1 1 407.514 3.505 20 30 HHEDMO Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000516117379 1006895207 /nfs/dbraw/zinc/89/52/07/1006895207.db2.gz DMWIPRRLIMDTDO-UHFFFAOYSA-N 1 1 412.497 3.812 20 30 HHEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532467347 1006906165 /nfs/dbraw/zinc/90/61/65/1006906165.db2.gz MMESCLDZNPRMHS-OAHLLOKOSA-N 1 1 420.542 3.711 20 30 HHEDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1 ZINC000516240873 1006969368 /nfs/dbraw/zinc/96/93/68/1006969368.db2.gz NCOCVZSMQYPGOS-VWLOTQADSA-N 1 1 423.516 3.788 20 30 HHEDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1 ZINC000516240873 1006969377 /nfs/dbraw/zinc/96/93/77/1006969377.db2.gz NCOCVZSMQYPGOS-VWLOTQADSA-N 1 1 423.516 3.788 20 30 HHEDMO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532556820 1006990266 /nfs/dbraw/zinc/99/02/66/1006990266.db2.gz HNARPOUMQDDXNZ-KRWDZBQOSA-N 1 1 400.482 3.977 20 30 HHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000516277061 1006991444 /nfs/dbraw/zinc/99/14/44/1006991444.db2.gz BZQKKKYWOLLDPX-MSOLQXFVSA-N 1 1 420.513 3.526 20 30 HHEDMO C[N@@H+](Cc1ccccc1CNC(=O)C(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000516478731 1007098086 /nfs/dbraw/zinc/09/80/86/1007098086.db2.gz WXPNUPDVJQARAY-UHFFFAOYSA-N 1 1 404.514 3.578 20 30 HHEDMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000532754801 1007162361 /nfs/dbraw/zinc/16/23/61/1007162361.db2.gz IJEOSZTZIQYLLL-BISSLNBESA-N 1 1 401.551 3.763 20 30 HHEDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000532754801 1007162365 /nfs/dbraw/zinc/16/23/65/1007162365.db2.gz IJEOSZTZIQYLLL-BISSLNBESA-N 1 1 401.551 3.763 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000516606918 1007187688 /nfs/dbraw/zinc/18/76/88/1007187688.db2.gz ZWXGJZBKCJHHJT-QHCPKHFHSA-N 1 1 402.542 3.687 20 30 HHEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC(=O)Nc1ccccc1C#N ZINC000532957718 1007324217 /nfs/dbraw/zinc/32/42/17/1007324217.db2.gz LBMGJILMBLRYTO-UHFFFAOYSA-N 1 1 405.477 3.981 20 30 HHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C[C@H](C)OC)C(C)C)cc1 ZINC000532970781 1007338663 /nfs/dbraw/zinc/33/86/63/1007338663.db2.gz YNWKNBWEARGAII-INIZCTEOSA-N 1 1 412.534 3.658 20 30 HHEDMO C[C@@H](c1cccnc1)N1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000532973700 1007344084 /nfs/dbraw/zinc/34/40/84/1007344084.db2.gz QFIXILVJAUUDHI-KRWDZBQOSA-N 1 1 423.586 3.601 20 30 HHEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC(c3[nH]cc[nH+]3)CC2)c1C#N ZINC000533025460 1007386530 /nfs/dbraw/zinc/38/65/30/1007386530.db2.gz MPUFMNNPYFIDPX-UHFFFAOYSA-N 1 1 420.492 3.646 20 30 HHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533044386 1007404888 /nfs/dbraw/zinc/40/48/88/1007404888.db2.gz WMLHXPQZYWBDJA-KKSFZXQISA-N 1 1 415.925 3.624 20 30 HHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533044386 1007404895 /nfs/dbraw/zinc/40/48/95/1007404895.db2.gz WMLHXPQZYWBDJA-KKSFZXQISA-N 1 1 415.925 3.624 20 30 HHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1 ZINC000533244155 1007564664 /nfs/dbraw/zinc/56/46/64/1007564664.db2.gz JACHUPQZPBPQCD-HXUWFJFHSA-N 1 1 412.578 3.517 20 30 HHEDMO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000533281700 1007594839 /nfs/dbraw/zinc/59/48/39/1007594839.db2.gz MOJYPNBBYXNKJY-SFHVURJKSA-N 1 1 417.513 3.644 20 30 HHEDMO C=CC[N@H+](Cc1nc2cc(Cl)ccc2n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000533282741 1007595703 /nfs/dbraw/zinc/59/57/03/1007595703.db2.gz IFWWCYDWPIHLEV-OAHLLOKOSA-N 1 1 407.909 3.952 20 30 HHEDMO C=CC[N@@H+](Cc1nc2cc(Cl)ccc2n1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000533282741 1007595708 /nfs/dbraw/zinc/59/57/08/1007595708.db2.gz IFWWCYDWPIHLEV-OAHLLOKOSA-N 1 1 407.909 3.952 20 30 HHEDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000535606380 1007615315 /nfs/dbraw/zinc/61/53/15/1007615315.db2.gz LKHRCUYMYUYJQZ-UHFFFAOYSA-N 1 1 401.894 3.702 20 30 HHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533346831 1007654289 /nfs/dbraw/zinc/65/42/89/1007654289.db2.gz VOHYFCWYJDZGRK-OAHLLOKOSA-N 1 1 417.575 3.881 20 30 HHEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533374726 1007686590 /nfs/dbraw/zinc/68/65/90/1007686590.db2.gz OSXXZGIPNOUDBU-TWMKSMIVSA-N 1 1 400.592 3.773 20 30 HHEDMO C[N@H+]1CC[C@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535673225 1007693939 /nfs/dbraw/zinc/69/39/39/1007693939.db2.gz QCBWUUKTGBVHCH-IERDGZPVSA-N 1 1 401.869 3.539 20 30 HHEDMO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C)sc2C1 ZINC000533386015 1007698665 /nfs/dbraw/zinc/69/86/65/1007698665.db2.gz FTDDWQHFGHTOEJ-AWEZNQCLSA-N 1 1 418.607 3.556 20 30 HHEDMO C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535676236 1007701350 /nfs/dbraw/zinc/70/13/50/1007701350.db2.gz OLRHMGRJMYAWQE-XLIONFOSSA-N 1 1 400.885 3.843 20 30 HHEDMO Cc1cccc(S(=O)(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1C#N ZINC000535691677 1007726416 /nfs/dbraw/zinc/72/64/16/1007726416.db2.gz LUSOEPRRBXGZGX-UHFFFAOYSA-N 1 1 409.555 3.544 20 30 HHEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535692353 1007727332 /nfs/dbraw/zinc/72/73/32/1007727332.db2.gz BSZZJBYICPQOIR-OXJNMPFZSA-N 1 1 421.925 3.631 20 30 HHEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535692353 1007727351 /nfs/dbraw/zinc/72/73/51/1007727351.db2.gz BSZZJBYICPQOIR-OXJNMPFZSA-N 1 1 421.925 3.631 20 30 HHEDMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533424698 1007733021 /nfs/dbraw/zinc/73/30/21/1007733021.db2.gz RDKBSCXTFFSMBA-PYZOSGAUSA-N 1 1 407.558 3.875 20 30 HHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000533431253 1007744632 /nfs/dbraw/zinc/74/46/32/1007744632.db2.gz PXRQMFBFCJEIEB-SFHVURJKSA-N 1 1 400.592 3.970 20 30 HHEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517530129 1007749219 /nfs/dbraw/zinc/74/92/19/1007749219.db2.gz NXTFAYXPSIMCCA-SJORKVTESA-N 1 1 424.936 3.742 20 30 HHEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517530129 1007749228 /nfs/dbraw/zinc/74/92/28/1007749228.db2.gz NXTFAYXPSIMCCA-SJORKVTESA-N 1 1 424.936 3.742 20 30 HHEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000539454658 1007765538 /nfs/dbraw/zinc/76/55/38/1007765538.db2.gz NLBXJBCCXJFSSJ-FPOVZHCZSA-N 1 1 410.587 3.767 20 30 HHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000539492063 1007803833 /nfs/dbraw/zinc/80/38/33/1007803833.db2.gz FPQGKYPPEJLYKZ-YWZLYKJASA-N 1 1 411.377 3.948 20 30 HHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000539492063 1007803845 /nfs/dbraw/zinc/80/38/45/1007803845.db2.gz FPQGKYPPEJLYKZ-YWZLYKJASA-N 1 1 411.377 3.948 20 30 HHEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000533509915 1007827663 /nfs/dbraw/zinc/82/76/63/1007827663.db2.gz SHECJSNVWAEZGO-SFHVURJKSA-N 1 1 423.492 3.560 20 30 HHEDMO 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AVKFFTVYLJCFNA-UHFFFAOYSA-N 1 1 413.525 3.566 20 30 HHEDMO C=CCOc1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1OC ZINC000521049857 1010074606 /nfs/dbraw/zinc/07/46/06/1010074606.db2.gz UUTCTFGFONQVJV-UHFFFAOYSA-N 1 1 407.470 3.809 20 30 HHEDMO Cc1cc(C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F ZINC000521188114 1010218414 /nfs/dbraw/zinc/21/84/14/1010218414.db2.gz MHHKZKLKLBSAPM-UHFFFAOYSA-N 1 1 419.447 3.864 20 30 HHEDMO Cc1cc(C[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F ZINC000521188114 1010218422 /nfs/dbraw/zinc/21/84/22/1010218422.db2.gz MHHKZKLKLBSAPM-UHFFFAOYSA-N 1 1 419.447 3.864 20 30 HHEDMO CN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551031191 1010327563 /nfs/dbraw/zinc/32/75/63/1010327563.db2.gz MGSBCUOQTXJKAJ-KRWDZBQOSA-N 1 1 424.570 3.589 20 30 HHEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000551131907 1010392363 /nfs/dbraw/zinc/39/23/63/1010392363.db2.gz CEGFZISSEQRMLP-UHFFFAOYSA-N 1 1 410.587 3.762 20 30 HHEDMO 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ZINC000536184803 1011321915 /nfs/dbraw/zinc/32/19/15/1011321915.db2.gz FMEYJBQWLNAAMP-BSIFCXSSSA-N 1 1 422.554 3.581 20 30 HHEDMO C[N@H+]1CC[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H]1c1ccccc1 ZINC000536225453 1011373551 /nfs/dbraw/zinc/37/35/51/1011373551.db2.gz KYPYXXPZXUENFJ-WNACPCLMSA-N 1 1 418.541 3.993 20 30 HHEDMO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000540806166 1011467484 /nfs/dbraw/zinc/46/74/84/1011467484.db2.gz MELPRMCQIRWFLO-DHIUTWEWSA-N 1 1 408.590 3.651 20 30 HHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000540826580 1011490225 /nfs/dbraw/zinc/49/02/25/1011490225.db2.gz MEITYSZPODDNPB-JOCHJYFZSA-N 1 1 424.520 3.934 20 30 HHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540863002 1011535899 /nfs/dbraw/zinc/53/58/99/1011535899.db2.gz BMHOXLLHXSRIAC-LJQANCHMSA-N 1 1 409.534 3.991 20 30 HHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540863002 1011535904 /nfs/dbraw/zinc/53/59/04/1011535904.db2.gz BMHOXLLHXSRIAC-LJQANCHMSA-N 1 1 409.534 3.991 20 30 HHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540863002 1011535919 /nfs/dbraw/zinc/53/59/19/1011535919.db2.gz BMHOXLLHXSRIAC-LJQANCHMSA-N 1 1 409.534 3.991 20 30 HHEDMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000523076503 1011545636 /nfs/dbraw/zinc/54/56/36/1011545636.db2.gz DVRHJCDCPOUOJK-UHFFFAOYSA-N 1 1 420.513 3.622 20 30 HHEDMO COc1cc(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000540902315 1011575583 /nfs/dbraw/zinc/57/55/83/1011575583.db2.gz DZJXIHMOMHCHHN-SFHVURJKSA-N 1 1 415.440 3.796 20 30 HHEDMO COc1cc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000540902315 1011575596 /nfs/dbraw/zinc/57/55/96/1011575596.db2.gz DZJXIHMOMHCHHN-SFHVURJKSA-N 1 1 415.440 3.796 20 30 HHEDMO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000540947983 1011596635 /nfs/dbraw/zinc/59/66/35/1011596635.db2.gz YYFYJYYCMDZOFQ-AVRDEDQJSA-N 1 1 419.953 3.855 20 30 HHEDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000541100294 1011746936 /nfs/dbraw/zinc/74/69/36/1011746936.db2.gz DUIIFWZIJAWXMW-SFHVURJKSA-N 1 1 406.877 3.706 20 30 HHEDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000541100294 1011746950 /nfs/dbraw/zinc/74/69/50/1011746950.db2.gz DUIIFWZIJAWXMW-SFHVURJKSA-N 1 1 406.877 3.706 20 30 HHEDMO COc1cc(C[N@H+]2CC[C@@H](c3nccn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000536594518 1011756355 /nfs/dbraw/zinc/75/63/55/1011756355.db2.gz LPJBATNPCONAJJ-OAQYLSRUSA-N 1 1 402.498 3.869 20 30 HHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)c2)c1 ZINC000536682847 1011845482 /nfs/dbraw/zinc/84/54/82/1011845482.db2.gz NUTLKPMFVWELNF-DEOSSOPVSA-N 1 1 405.542 3.824 20 30 HHEDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1SCC#N ZINC000536702091 1011872307 /nfs/dbraw/zinc/87/23/07/1011872307.db2.gz CCQOQUOONODLBZ-UHFFFAOYSA-N 1 1 423.586 3.874 20 30 HHEDMO CC[N@@H+](CCC1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1)CC1CC1 ZINC000536736363 1011915155 /nfs/dbraw/zinc/91/51/55/1011915155.db2.gz KCHJTADYNCQZEC-QGZVFWFLSA-N 1 1 400.567 3.929 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1C ZINC000536749066 1011937605 /nfs/dbraw/zinc/93/76/05/1011937605.db2.gz HHPAIOXILFTHLY-HXUWFJFHSA-N 1 1 408.550 3.602 20 30 HHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1C ZINC000536749066 1011937618 /nfs/dbraw/zinc/93/76/18/1011937618.db2.gz HHPAIOXILFTHLY-HXUWFJFHSA-N 1 1 408.550 3.602 20 30 HHEDMO COC(=O)[C@H](c1c(F)cccc1Cl)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000541280306 1011973200 /nfs/dbraw/zinc/97/32/00/1011973200.db2.gz GOHVTZNFTMHJKV-NRFANRHFSA-N 1 1 415.896 3.773 20 30 HHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000523573774 1012119487 /nfs/dbraw/zinc/11/94/87/1012119487.db2.gz CKHBBZWDKMBYPC-INIZCTEOSA-N 1 1 401.507 3.550 20 30 HHEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000537019408 1012325895 /nfs/dbraw/zinc/32/58/95/1012325895.db2.gz XNTOIAPLRSEWSK-FQEVSTJZSA-N 1 1 409.555 3.857 20 30 HHEDMO COCC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1ccco1 ZINC000541598803 1012390996 /nfs/dbraw/zinc/39/09/96/1012390996.db2.gz BPQUMLGFTPWZPL-HXUWFJFHSA-N 1 1 406.486 3.865 20 30 HHEDMO COCC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccco1 ZINC000541603579 1012400579 /nfs/dbraw/zinc/40/05/79/1012400579.db2.gz QUBBDPPUDJQRAM-IBGZPJMESA-N 1 1 410.474 3.517 20 30 HHEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000537067175 1012405409 /nfs/dbraw/zinc/40/54/09/1012405409.db2.gz BJPQWFMMRUVPND-QFIPXVFZSA-N 1 1 424.497 3.881 20 30 HHEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1OC ZINC000523891464 1012595744 /nfs/dbraw/zinc/59/57/44/1012595744.db2.gz BUSYRQNUDHFRNQ-AUSIDOKSSA-N 1 1 401.551 3.545 20 30 HHEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1OC ZINC000523891465 1012596267 /nfs/dbraw/zinc/59/62/67/1012596267.db2.gz BUSYRQNUDHFRNQ-CVDCTZTESA-N 1 1 401.551 3.545 20 30 HHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]2CCCC[C@@H]21 ZINC000542053149 1012963719 /nfs/dbraw/zinc/96/37/19/1012963719.db2.gz XVCPWNGEHGRVEJ-VQQMMKBISA-N 1 1 424.589 3.867 20 30 HHEDMO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nn1CCC#N ZINC000537515594 1013029427 /nfs/dbraw/zinc/02/94/27/1013029427.db2.gz POHBVARBPPTLGV-LEWJYISDSA-N 1 1 406.534 3.624 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000729808236 1072124337 /nfs/dbraw/zinc/12/43/37/1072124337.db2.gz AAEFSJALHMAABQ-KRWDZBQOSA-N 1 1 419.344 3.756 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000729809712 1072126754 /nfs/dbraw/zinc/12/67/54/1072126754.db2.gz OHQBGDMZNKFONS-QGZVFWFLSA-N 1 1 404.919 3.559 20 30 HHEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000729812195 1072127073 /nfs/dbraw/zinc/12/70/73/1072127073.db2.gz OLWKSBUTVRHBFS-GFCCVEGCSA-N 1 1 411.346 3.889 20 30 HHEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000729812195 1072127074 /nfs/dbraw/zinc/12/70/74/1072127074.db2.gz OLWKSBUTVRHBFS-GFCCVEGCSA-N 1 1 411.346 3.889 20 30 HHEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000729812477 1072127161 /nfs/dbraw/zinc/12/71/61/1072127161.db2.gz XFOFMPJRPNHLSN-IBGZPJMESA-N 1 1 402.498 3.934 20 30 HHEDMO N#Cc1ccc(C[N@H+](CCO)Cc2cccc(Br)c2)c(OC(F)F)c1 ZINC000488237302 1072152920 /nfs/dbraw/zinc/15/29/20/1072152920.db2.gz ZCFXSTDZXZQRCI-UHFFFAOYSA-N 1 1 411.246 3.917 20 30 HHEDMO N#Cc1ccc(C[N@@H+](CCO)Cc2cccc(Br)c2)c(OC(F)F)c1 ZINC000488237302 1072152923 /nfs/dbraw/zinc/15/29/23/1072152923.db2.gz ZCFXSTDZXZQRCI-UHFFFAOYSA-N 1 1 411.246 3.917 20 30 HHEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000536750557 1072197210 /nfs/dbraw/zinc/19/72/10/1072197210.db2.gz MTXXDOPIXZEAHJ-MSOLQXFVSA-N 1 1 412.513 3.513 20 30 HHEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000536750557 1072197213 /nfs/dbraw/zinc/19/72/13/1072197213.db2.gz MTXXDOPIXZEAHJ-MSOLQXFVSA-N 1 1 412.513 3.513 20 30 HHEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612133016 1072434704 /nfs/dbraw/zinc/43/47/04/1072434704.db2.gz SFPQMAZXWOZBLV-INDWIESVSA-N 1 1 403.526 3.742 20 30 HHEDMO C[C@](O)(C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)C(F)(F)C(F)(F)F ZINC001168331964 1072511836 /nfs/dbraw/zinc/51/18/36/1072511836.db2.gz UAWNNJMCESCGLG-ZDUSSCGKSA-N 1 1 406.317 3.776 20 30 HHEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000554945014 1072977962 /nfs/dbraw/zinc/97/79/62/1072977962.db2.gz AICMJYQZZNOGNW-HOYKHHGWSA-N 1 1 407.489 3.931 20 30 HHEDMO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000555256172 1073303102 /nfs/dbraw/zinc/30/31/02/1073303102.db2.gz RXSUUOQOCYMCPW-UHFFFAOYSA-N 1 1 411.550 3.968 20 30 HHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@@H]4C[N@@H+](C)C[C@@H]43)sc2C1 ZINC000590010641 1073449040 /nfs/dbraw/zinc/44/90/40/1073449040.db2.gz RFPZIQRMBSCZDI-MDZRGWNJSA-N 1 1 414.619 3.735 20 30 HHEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1F ZINC000555476091 1073528939 /nfs/dbraw/zinc/52/89/39/1073528939.db2.gz WLSYTJCLCDJRTB-UHFFFAOYSA-N 1 1 403.339 3.535 20 30 HHEDMO CSc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)[NH+](C)C)cc1 ZINC000555479037 1073532753 /nfs/dbraw/zinc/53/27/53/1073532753.db2.gz LMJNORNRSJAQSG-SFHVURJKSA-N 1 1 409.964 3.515 20 30 HHEDMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)CC1(C#N)CC1)CC2 ZINC000590187267 1073632761 /nfs/dbraw/zinc/63/27/61/1073632761.db2.gz XAMBFHOBKKVDSR-UHFFFAOYSA-N 1 1 405.498 3.894 20 30 HHEDMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)CC1(C#N)CC1)CC2 ZINC000590187267 1073632768 /nfs/dbraw/zinc/63/27/68/1073632768.db2.gz XAMBFHOBKKVDSR-UHFFFAOYSA-N 1 1 405.498 3.894 20 30 HHEDMO Cc1nc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(Br)cc1C#N ZINC000590587118 1073929760 /nfs/dbraw/zinc/92/97/60/1073929760.db2.gz GCBQZHMGYAMHIB-SFHVURJKSA-N 1 1 416.319 3.694 20 30 HHEDMO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000555991492 1074022516 /nfs/dbraw/zinc/02/25/16/1074022516.db2.gz WLVMMPCDJYDZBH-OAQYLSRUSA-N 1 1 419.569 3.892 20 30 HHEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCN(c4ccccc4Cl)C3)CC2)cc1 ZINC000573047505 1074072038 /nfs/dbraw/zinc/07/20/38/1074072038.db2.gz OFXIIKFZMJFNHS-NRFANRHFSA-N 1 1 422.960 3.772 20 30 HHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCN(c4ccccc4Cl)C3)CC2)cc1 ZINC000573047505 1074072046 /nfs/dbraw/zinc/07/20/46/1074072046.db2.gz OFXIIKFZMJFNHS-NRFANRHFSA-N 1 1 422.960 3.772 20 30 HHEDMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)C2 ZINC001164450016 718991611 /nfs/dbraw/zinc/99/16/11/718991611.db2.gz QBPBPQVZFFJCIW-UHFFFAOYSA-N 1 1 400.820 3.739 20 30 HHEDMO N#CC1(c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2)CCOCC1 ZINC001164628060 719094024 /nfs/dbraw/zinc/09/40/24/719094024.db2.gz LXQPWYZDZBUXDM-JTHBVZDNSA-N 1 1 402.542 3.754 20 30 HHEDMO COc1nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c(F)cc1C#N ZINC001164692176 719812538 /nfs/dbraw/zinc/81/25/38/719812538.db2.gz MYGPDKPEHDBRFU-UHFFFAOYSA-N 1 1 401.511 3.501 20 30 HHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C#C[Si](C)(C)C)ccn3)CC[C@@H]21 ZINC001164835190 720640837 /nfs/dbraw/zinc/64/08/37/720640837.db2.gz AOGCATQFZWOTOB-VJBWXMMDSA-N 1 1 421.665 3.885 20 30 HHEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)ncc1C#N)[C@@H]2C ZINC001164856140 720966574 /nfs/dbraw/zinc/96/65/74/720966574.db2.gz BAOKFTURKDBUDJ-CYBMUJFWSA-N 1 1 408.884 3.769 20 30 HHEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870216 721137185 /nfs/dbraw/zinc/13/71/85/721137185.db2.gz BWAOVBJTJWVCTQ-ROUUACIJSA-N 1 1 419.916 3.635 20 30 HHEDMO N#Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164880942 721177153 /nfs/dbraw/zinc/17/71/53/721177153.db2.gz XXYWYASVOJJIOJ-WOJBJXKFSA-N 1 1 419.916 3.635 20 30 HHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2C#N)[C@@H]2CCCO[C@H]12 ZINC001164809918 721555300 /nfs/dbraw/zinc/55/53/00/721555300.db2.gz YBGKMEZJWJOVSN-KURKYZTESA-N 1 1 418.328 3.523 20 30 HHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2C#N)[C@@H]2CCCO[C@H]12 ZINC001164809918 721555303 /nfs/dbraw/zinc/55/53/03/721555303.db2.gz YBGKMEZJWJOVSN-KURKYZTESA-N 1 1 418.328 3.523 20 30 HHEDMO N#Cc1c(Cl)ccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906575 721693925 /nfs/dbraw/zinc/69/39/25/721693925.db2.gz NKNGJSGTEVYQJG-LJQANCHMSA-N 1 1 403.864 3.739 20 30 HHEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3ccc(C#N)cc31)C2 ZINC001164909443 721748247 /nfs/dbraw/zinc/74/82/47/721748247.db2.gz UFKWLQCVTJOBRV-UHFFFAOYSA-N 1 1 410.481 3.684 20 30 HHEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3ccc(C#N)cc31)C2 ZINC001164909443 721748256 /nfs/dbraw/zinc/74/82/56/721748256.db2.gz UFKWLQCVTJOBRV-UHFFFAOYSA-N 1 1 410.481 3.684 20 30 HHEDMO C=CC[NH+]1CCN(c2ncc(F)c(-c3cc4c(nc(C)n4C(C)C)c(F)c3)n2)CC1 ZINC001165031848 721866980 /nfs/dbraw/zinc/86/69/80/721866980.db2.gz XQFXGFOSGFJWSH-UHFFFAOYSA-N 1 1 412.488 3.969 20 30 HHEDMO