smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000819742822 945277602 /nfs/dbraw/zinc/27/76/02/945277602.db2.gz AFUVDKZAVKGFHG-IBGZPJMESA-N 1 1 394.523 3.036 20 30 GGEDMO CCC(CC)C[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825106790 947075932 /nfs/dbraw/zinc/07/59/32/947075932.db2.gz IIKLCJZOECGODU-UHFFFAOYSA-N 1 1 392.511 3.419 20 30 GGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825106790 947075942 /nfs/dbraw/zinc/07/59/42/947075942.db2.gz IIKLCJZOECGODU-UHFFFAOYSA-N 1 1 392.511 3.419 20 30 GGEDMO C=CC[C@@H]1[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCCC1(C)C ZINC001573329686 947424935 /nfs/dbraw/zinc/42/49/35/947424935.db2.gz NMBYTUAYLVEXCY-MOPGFXCFSA-N 1 1 394.523 3.429 20 30 GGEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC001573330608 947437230 /nfs/dbraw/zinc/43/72/30/947437230.db2.gz ZNWSGXVTLYTLCJ-STQMWFEESA-N 1 1 386.525 3.032 20 30 GGEDMO CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cs1 ZINC000737280730 978393882 /nfs/dbraw/zinc/39/38/82/978393882.db2.gz URFGIJAOXWORSI-FQEVSTJZSA-N 1 1 398.532 3.205 20 30 GGEDMO C[C@]12C[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001599884681 989535841 /nfs/dbraw/zinc/53/58/41/989535841.db2.gz BIPFPCLRYCQUFP-XPNTWCBSSA-N 1 1 375.472 3.138 20 30 GGEDMO C[C@]12C[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001599884681 989535844 /nfs/dbraw/zinc/53/58/44/989535844.db2.gz BIPFPCLRYCQUFP-XPNTWCBSSA-N 1 1 375.472 3.138 20 30 GGEDMO C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001599884681 989535847 /nfs/dbraw/zinc/53/58/47/989535847.db2.gz BIPFPCLRYCQUFP-XPNTWCBSSA-N 1 1 375.472 3.138 20 30 GGEDMO C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001599884681 989535850 /nfs/dbraw/zinc/53/58/50/989535850.db2.gz BIPFPCLRYCQUFP-XPNTWCBSSA-N 1 1 375.472 3.138 20 30 GGEDMO Cc1cccc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000039935295 205044570 /nfs/dbraw/zinc/04/45/70/205044570.db2.gz IDCZRAANIUQIKM-UHFFFAOYSA-N 1 1 376.504 3.322 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[NH+](Cc3cccs3)CC2)c1 ZINC000084083783 524407609 /nfs/dbraw/zinc/40/76/09/524407609.db2.gz JZMUMJUJYUPELJ-UHFFFAOYSA-N 1 1 396.560 3.429 20 30 GGEDMO C[N@H+](CCOc1ccc(C#N)cc1)CC(=O)Nc1ccccc1Br ZINC000016633317 564295277 /nfs/dbraw/zinc/29/52/77/564295277.db2.gz MQHHROXVZAMDPC-UHFFFAOYSA-N 1 1 388.265 3.270 20 30 GGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)Nc1ccccc1Br ZINC000016633317 564295278 /nfs/dbraw/zinc/29/52/78/564295278.db2.gz MQHHROXVZAMDPC-UHFFFAOYSA-N 1 1 388.265 3.270 20 30 GGEDMO C=C(C)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000022791558 564320030 /nfs/dbraw/zinc/32/00/30/564320030.db2.gz GQPDCCBNGVWJLB-UHFFFAOYSA-N 1 1 375.822 3.491 20 30 GGEDMO C[N@H+](Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025230288 564336440 /nfs/dbraw/zinc/33/64/40/564336440.db2.gz IAUTVDLTACFCLX-CQSZACIVSA-N 1 1 395.322 3.448 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000027230459 564352667 /nfs/dbraw/zinc/35/26/67/564352667.db2.gz CIQMIWRZRMWYAQ-SFHVURJKSA-N 1 1 378.314 3.468 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000027230459 564352671 /nfs/dbraw/zinc/35/26/71/564352671.db2.gz CIQMIWRZRMWYAQ-SFHVURJKSA-N 1 1 378.314 3.468 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123563601 564453577 /nfs/dbraw/zinc/45/35/77/564453577.db2.gz QYIYVORSKGHGOV-HZPDHXFCSA-N 1 1 379.913 3.137 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123563601 564453583 /nfs/dbraw/zinc/45/35/83/564453583.db2.gz QYIYVORSKGHGOV-HZPDHXFCSA-N 1 1 379.913 3.137 20 30 GGEDMO Cc1sc(NC(=O)C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c(C#N)c1C ZINC000123780621 564461547 /nfs/dbraw/zinc/46/15/47/564461547.db2.gz OXMGUOXJLSKMOD-CABCVRRESA-N 1 1 379.551 3.162 20 30 GGEDMO Cc1sc(NC(=O)C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c(C#N)c1C ZINC000123780621 564461550 /nfs/dbraw/zinc/46/15/50/564461550.db2.gz OXMGUOXJLSKMOD-CABCVRRESA-N 1 1 379.551 3.162 20 30 GGEDMO Cc1sc(NC(=O)C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c(C#N)c1C ZINC000123780898 564461590 /nfs/dbraw/zinc/46/15/90/564461590.db2.gz OXMGUOXJLSKMOD-HUUCEWRRSA-N 1 1 379.551 3.162 20 30 GGEDMO Cc1sc(NC(=O)C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c(C#N)c1C ZINC000123780898 564461593 /nfs/dbraw/zinc/46/15/93/564461593.db2.gz OXMGUOXJLSKMOD-HUUCEWRRSA-N 1 1 379.551 3.162 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000123817575 564462524 /nfs/dbraw/zinc/46/25/24/564462524.db2.gz HPQQTFWOSUVANA-UHFFFAOYSA-N 1 1 384.977 3.125 20 30 GGEDMO C[N@@H+](CCOc1cccc(C#N)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125586651 564519361 /nfs/dbraw/zinc/51/93/61/564519361.db2.gz FIMSJGKGDVJSQN-SFHVURJKSA-N 1 1 375.266 3.365 20 30 GGEDMO C[N@@H+](CCOc1cccc(C#N)c1)[C@H](CO)c1cccc(Br)c1 ZINC000125586907 564520106 /nfs/dbraw/zinc/52/01/06/564520106.db2.gz FIMSJGKGDVJSQN-GOSISDBHSA-N 1 1 375.266 3.365 20 30 GGEDMO C[N@@H+](CCOc1ccccc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000125784032 564526570 /nfs/dbraw/zinc/52/65/70/564526570.db2.gz WSENAGHFZXGQOI-KRWDZBQOSA-N 1 1 375.266 3.365 20 30 GGEDMO N#CC1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCC1 ZINC000126903809 564566342 /nfs/dbraw/zinc/56/63/42/564566342.db2.gz SIYXAWHZFUTTCZ-UHFFFAOYSA-N 1 1 376.298 3.224 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCN2CCCC2=O)cc1OC ZINC000127265533 564579334 /nfs/dbraw/zinc/57/93/34/564579334.db2.gz INHQYUTYCUAUFY-UHFFFAOYSA-N 1 1 397.313 3.077 20 30 GGEDMO N#Cc1cn(Cc2cn3ccccc3[nH+]2)c2ccc(Br)cc2c1=O ZINC000127412582 564583704 /nfs/dbraw/zinc/58/37/04/564583704.db2.gz UZOFFGXADCYMJO-UHFFFAOYSA-N 1 1 379.217 3.332 20 30 GGEDMO C[N@H+](Cc1csc(Br)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000053358255 564586253 /nfs/dbraw/zinc/58/62/53/564586253.db2.gz GAIODLXAVPRTOE-AWEZNQCLSA-N 1 1 381.295 3.254 20 30 GGEDMO CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@H](C)C#N ZINC000064248661 564727355 /nfs/dbraw/zinc/72/73/55/564727355.db2.gz LVYXNNFOUSDENA-DGCLKSJQSA-N 1 1 375.694 3.324 20 30 GGEDMO CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C[C@H](C)C#N ZINC000064248661 564727359 /nfs/dbraw/zinc/72/73/59/564727359.db2.gz LVYXNNFOUSDENA-DGCLKSJQSA-N 1 1 375.694 3.324 20 30 GGEDMO C[N@H+](Cc1csc(Br)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000066484057 564766906 /nfs/dbraw/zinc/76/69/06/564766906.db2.gz NALDGSPHTXWPIT-OAHLLOKOSA-N 1 1 395.322 3.448 20 30 GGEDMO C[N@@H+](Cc1ccccc1Br)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000068047190 564807598 /nfs/dbraw/zinc/80/75/98/564807598.db2.gz DACUGNGKRFHCEV-MRXNPFEDSA-N 1 1 375.266 3.192 20 30 GGEDMO C[N@H+](Cc1ccccc1Br)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000068047190 564807600 /nfs/dbraw/zinc/80/76/00/564807600.db2.gz DACUGNGKRFHCEV-MRXNPFEDSA-N 1 1 375.266 3.192 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831446 564827689 /nfs/dbraw/zinc/82/76/89/564827689.db2.gz IMIRMDYVQFJIGH-SFHVURJKSA-N 1 1 386.323 3.232 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831446 564827694 /nfs/dbraw/zinc/82/76/94/564827694.db2.gz IMIRMDYVQFJIGH-SFHVURJKSA-N 1 1 386.323 3.232 20 30 GGEDMO C[N@@H+](CCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000071906058 564858692 /nfs/dbraw/zinc/85/86/92/564858692.db2.gz XFHCXMWBEDSZSV-UHFFFAOYSA-N 1 1 377.897 3.012 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H](C)C(=O)OC)cc1OC ZINC000091986210 564873820 /nfs/dbraw/zinc/87/38/20/564873820.db2.gz QKAGBGDZUXFNFJ-GFCCVEGCSA-N 1 1 386.286 3.263 20 30 GGEDMO C=CCOc1ccc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)cc1Cl ZINC000093320897 564885097 /nfs/dbraw/zinc/88/50/97/564885097.db2.gz DOXIYSFVMZBEER-UHFFFAOYSA-N 1 1 386.945 3.151 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@](C)(C(=O)OC)C2)cc1OC ZINC000093813783 564890981 /nfs/dbraw/zinc/89/09/81/564890981.db2.gz VERMTSLIXNGFPY-SFHVURJKSA-N 1 1 398.297 3.408 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)cc1OC ZINC000093813783 564890985 /nfs/dbraw/zinc/89/09/85/564890985.db2.gz VERMTSLIXNGFPY-SFHVURJKSA-N 1 1 398.297 3.408 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H](C)C(=O)NC)cc1OCC ZINC000093898919 564891900 /nfs/dbraw/zinc/89/19/00/564891900.db2.gz JSLNKBFNKIXEGG-CYBMUJFWSA-N 1 1 399.329 3.227 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152612548 564965565 /nfs/dbraw/zinc/96/55/65/564965565.db2.gz WZEMPQANLDDYHJ-GOSISDBHSA-N 1 1 392.341 3.467 20 30 GGEDMO C[N@H+](CCc1ccc(Br)cc1)CC(=O)Nc1sccc1C#N ZINC000106861749 564990150 /nfs/dbraw/zinc/99/01/50/564990150.db2.gz BNPXEZVLHAEVSU-UHFFFAOYSA-N 1 1 378.295 3.495 20 30 GGEDMO C[N@@H+](CCc1ccc(Br)cc1)CC(=O)Nc1sccc1C#N ZINC000106861749 564990154 /nfs/dbraw/zinc/99/01/54/564990154.db2.gz BNPXEZVLHAEVSU-UHFFFAOYSA-N 1 1 378.295 3.495 20 30 GGEDMO C=C(Br)C[N@@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000107372726 564999210 /nfs/dbraw/zinc/99/92/10/564999210.db2.gz DTVRUCOBMXUCGA-INIZCTEOSA-N 1 1 385.302 3.004 20 30 GGEDMO C=C(Br)C[N@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000107372726 564999213 /nfs/dbraw/zinc/99/92/13/564999213.db2.gz DTVRUCOBMXUCGA-INIZCTEOSA-N 1 1 385.302 3.004 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1OCC ZINC000154998573 565059206 /nfs/dbraw/zinc/05/92/06/565059206.db2.gz LAMXBEWTDJSIKB-CQSZACIVSA-N 1 1 397.313 3.110 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1OCC ZINC000154998573 565059208 /nfs/dbraw/zinc/05/92/08/565059208.db2.gz LAMXBEWTDJSIKB-CQSZACIVSA-N 1 1 397.313 3.110 20 30 GGEDMO Cc1cccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1C#N ZINC000156161886 565075369 /nfs/dbraw/zinc/07/53/69/565075369.db2.gz IODNKRUWCTUNQO-INIZCTEOSA-N 1 1 375.519 3.044 20 30 GGEDMO Cc1c(Br)cc(C#N)c(=O)n1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000185933664 565230168 /nfs/dbraw/zinc/23/01/68/565230168.db2.gz JTEVEVGJZUVWLM-UHFFFAOYSA-N 1 1 377.629 3.140 20 30 GGEDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810724 565255491 /nfs/dbraw/zinc/25/54/91/565255491.db2.gz WCFBNTFNOOIMST-SJLPKXTDSA-N 1 1 389.297 3.142 20 30 GGEDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810725 565255825 /nfs/dbraw/zinc/25/58/25/565255825.db2.gz WCFBNTFNOOIMST-WMZOPIPTSA-N 1 1 389.297 3.142 20 30 GGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H](O)c1ccccc1Br ZINC000295314326 565259096 /nfs/dbraw/zinc/25/90/96/565259096.db2.gz LLNIGOYYKXRSID-ROUUACIJSA-N 1 1 375.266 3.020 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186842466 565290580 /nfs/dbraw/zinc/29/05/80/565290580.db2.gz UYGLQYOMTDVLQD-INIZCTEOSA-N 1 1 380.579 3.249 20 30 GGEDMO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000272859866 565299062 /nfs/dbraw/zinc/29/90/62/565299062.db2.gz MSARUMVWANZVHL-SNVBAGLBSA-N 1 1 385.379 3.141 20 30 GGEDMO N#CCCCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000273531650 565324822 /nfs/dbraw/zinc/32/48/22/565324822.db2.gz KOBOUXGBFYHEPR-UHFFFAOYSA-N 1 1 379.302 3.016 20 30 GGEDMO Cc1nnc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 ZINC000273548684 565324900 /nfs/dbraw/zinc/32/49/00/565324900.db2.gz BPYYVPVFFLETGV-SNVBAGLBSA-N 1 1 375.523 3.338 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000162789386 565328004 /nfs/dbraw/zinc/32/80/04/565328004.db2.gz DBBPGMJXEBXMFV-UHFFFAOYSA-N 1 1 377.945 3.132 20 30 GGEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000187420178 565330772 /nfs/dbraw/zinc/33/07/72/565330772.db2.gz RRMGSMLAXAMLFS-ZDUSSCGKSA-N 1 1 377.897 3.313 20 30 GGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000298463013 565415552 /nfs/dbraw/zinc/41/55/52/565415552.db2.gz RSAYIPGWQKXXAT-ZWKOTPCHSA-N 1 1 375.266 3.020 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000171537752 565436552 /nfs/dbraw/zinc/43/65/52/565436552.db2.gz RNGWNGOOODVWBC-UHFFFAOYSA-N 1 1 393.734 3.031 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000172671456 565497770 /nfs/dbraw/zinc/49/77/70/565497770.db2.gz GGXFTKJBTGMKTP-MRXNPFEDSA-N 1 1 375.519 3.044 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Br)c1 ZINC000277766546 565519129 /nfs/dbraw/zinc/51/91/29/565519129.db2.gz MRRKISVOEUFQOK-TZMCWYRMSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Br)c1 ZINC000277766546 565519133 /nfs/dbraw/zinc/51/91/33/565519133.db2.gz MRRKISVOEUFQOK-TZMCWYRMSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1cc(Br)ccc1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000302128743 565531521 /nfs/dbraw/zinc/53/15/21/565531521.db2.gz BJYVLYIFZHBDOB-GOSISDBHSA-N 1 1 386.293 3.152 20 30 GGEDMO C[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000390758681 565557427 /nfs/dbraw/zinc/55/74/27/565557427.db2.gz KHXWOVRTZRGEAN-CQSZACIVSA-N 1 1 377.897 3.010 20 30 GGEDMO C[N@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000390616747 565557515 /nfs/dbraw/zinc/55/75/15/565557515.db2.gz YICHYUJWPSPVAX-QGZVFWFLSA-N 1 1 375.266 3.192 20 30 GGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752937 565576375 /nfs/dbraw/zinc/57/63/75/565576375.db2.gz XEKMXGNEGZTWFG-IPYPFGDCSA-N 1 1 377.286 3.187 20 30 GGEDMO C[N@@H+](CCCNS(=O)(=O)c1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000310529166 565579497 /nfs/dbraw/zinc/57/94/97/565579497.db2.gz BCWUJUIZFPUDOA-UHFFFAOYSA-N 1 1 377.897 3.012 20 30 GGEDMO C[N@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccccc1C#N ZINC000320626437 565603185 /nfs/dbraw/zinc/60/31/85/565603185.db2.gz CWQSCQJIVKUSKX-KRWDZBQOSA-N 1 1 375.266 3.192 20 30 GGEDMO N#CCSCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000174126702 565616037 /nfs/dbraw/zinc/61/60/37/565616037.db2.gz CLLZHLCZYRZFKU-CYBMUJFWSA-N 1 1 397.342 3.141 20 30 GGEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191779464 565630732 /nfs/dbraw/zinc/63/07/32/565630732.db2.gz RECMVLXQAYRAOE-OAHLLOKOSA-N 1 1 378.314 3.449 20 30 GGEDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191781037 565631472 /nfs/dbraw/zinc/63/14/72/565631472.db2.gz RSNGGABGWHRZBC-OAHLLOKOSA-N 1 1 378.314 3.305 20 30 GGEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191781037 565631478 /nfs/dbraw/zinc/63/14/78/565631478.db2.gz RSNGGABGWHRZBC-OAHLLOKOSA-N 1 1 378.314 3.305 20 30 GGEDMO Cn1c(SCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nnc1-c1cccs1 ZINC000328747333 565640877 /nfs/dbraw/zinc/64/08/77/565640877.db2.gz LRHYCAHNDVFEDQ-OLZOCXBDSA-N 1 1 377.539 3.219 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328835153 565643014 /nfs/dbraw/zinc/64/30/14/565643014.db2.gz SGGGONUFGNVZCX-YYQUZTFQSA-N 1 1 397.313 3.287 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328851763 565644849 /nfs/dbraw/zinc/64/48/49/565644849.db2.gz WUZFTSUXMYZIEY-DLTLXFJOSA-N 1 1 397.313 3.287 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328851763 565644851 /nfs/dbraw/zinc/64/48/51/565644851.db2.gz WUZFTSUXMYZIEY-DLTLXFJOSA-N 1 1 397.313 3.287 20 30 GGEDMO CC1=CC[N@@H+](CCNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000329108794 565654779 /nfs/dbraw/zinc/65/47/79/565654779.db2.gz PSJLNJZIKQCXNT-UHFFFAOYSA-N 1 1 395.297 3.371 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C([O-])=[NH+]c2nc3ccsc3s2)C[C@H](C)O1 ZINC000329408242 565665350 /nfs/dbraw/zinc/66/53/50/565665350.db2.gz DCOGVEAATXFAIC-FRRDWIJNSA-N 1 1 380.539 3.477 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C([O-])=[NH+]c2nc3ccsc3s2)C[C@H](C)O1 ZINC000329408249 565665895 /nfs/dbraw/zinc/66/58/95/565665895.db2.gz DCOGVEAATXFAIC-XQQFMLRXSA-N 1 1 380.539 3.477 20 30 GGEDMO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)cc1Br ZINC000329556588 565671605 /nfs/dbraw/zinc/67/16/05/565671605.db2.gz HLDHQIRZOWGLOA-JGGQBBKZSA-N 1 1 383.286 3.150 20 30 GGEDMO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1Br ZINC000329556585 565671698 /nfs/dbraw/zinc/67/16/98/565671698.db2.gz HLDHQIRZOWGLOA-DUVNUKRYSA-N 1 1 383.286 3.150 20 30 GGEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccccc3Br)C2=O)cc1 ZINC000192245238 565673894 /nfs/dbraw/zinc/67/38/94/565673894.db2.gz ZEIPJBXZHCEMOF-SFHVURJKSA-N 1 1 384.277 3.211 20 30 GGEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000329833380 565681835 /nfs/dbraw/zinc/68/18/35/565681835.db2.gz GLLICNBPDFTSLW-MRXNPFEDSA-N 1 1 387.307 3.329 20 30 GGEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000329833380 565681839 /nfs/dbraw/zinc/68/18/39/565681839.db2.gz GLLICNBPDFTSLW-MRXNPFEDSA-N 1 1 387.307 3.329 20 30 GGEDMO Cc1cc(NC(=O)CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)ccc1Br ZINC000330216164 565696838 /nfs/dbraw/zinc/69/68/38/565696838.db2.gz HNJLRVWQQKQHCK-HNNXBMFYSA-N 1 1 380.286 3.279 20 30 GGEDMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1Cl ZINC000330182422 565697059 /nfs/dbraw/zinc/69/70/59/565697059.db2.gz OYTCURWUCTWYGY-LSDHHAIUSA-N 1 1 383.901 3.408 20 30 GGEDMO Cc1cc(Br)cc2c1CN(C([O-])=[NH+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330201128 565697197 /nfs/dbraw/zinc/69/71/97/565697197.db2.gz XIFQHQYXYIDPAW-HNNXBMFYSA-N 1 1 389.297 3.241 20 30 GGEDMO C[C@@H]1Cc2ccc(Br)cc2CN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330202934 565697548 /nfs/dbraw/zinc/69/75/48/565697548.db2.gz ZZKTZPRELMIADS-MLGOLLRUSA-N 1 1 389.297 3.321 20 30 GGEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000175406379 565697726 /nfs/dbraw/zinc/69/77/26/565697726.db2.gz AHNKLZCKMHFMGT-CANCMXDXSA-N 1 1 375.519 3.379 20 30 GGEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000330256756 565699725 /nfs/dbraw/zinc/69/97/25/565699725.db2.gz KXERKIWTLGJXJR-TZMCWYRMSA-N 1 1 385.961 3.470 20 30 GGEDMO COc1cc(OC)c(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Br ZINC000330264678 565699756 /nfs/dbraw/zinc/69/97/56/565699756.db2.gz YFHHUHZPVXMCSL-TZMCWYRMSA-N 1 1 398.301 3.419 20 30 GGEDMO Cc1c(Br)cccc1NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000330465647 565708026 /nfs/dbraw/zinc/70/80/26/565708026.db2.gz WSMLPJDFPQOBQX-AWEZNQCLSA-N 1 1 384.318 3.440 20 30 GGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)[C@H](C)C1 ZINC000330555475 565712603 /nfs/dbraw/zinc/71/26/03/565712603.db2.gz GXDLQLBRHFUBAD-MNOVXSKESA-N 1 1 390.709 3.035 20 30 GGEDMO COc1cc(Br)c(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1OC ZINC000330720661 565720415 /nfs/dbraw/zinc/72/04/15/565720415.db2.gz XCIMQAFUPNGZJP-WDEREUQCSA-N 1 1 386.290 3.036 20 30 GGEDMO COCC[N@@H+]1CCN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C[C@@H]1C ZINC000330837788 565724721 /nfs/dbraw/zinc/72/47/21/565724721.db2.gz LAGGINSFLRTOSU-NSHDSACASA-N 1 1 376.284 3.200 20 30 GGEDMO COCC[N@H+]1CCN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C[C@@H]1C ZINC000330837788 565724727 /nfs/dbraw/zinc/72/47/27/565724727.db2.gz LAGGINSFLRTOSU-NSHDSACASA-N 1 1 376.284 3.200 20 30 GGEDMO COc1cc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc(OC)c1Br ZINC000330883731 565727006 /nfs/dbraw/zinc/72/70/06/565727006.db2.gz KBDZKUWWYHMTBL-QWRGUYRKSA-N 1 1 386.290 3.036 20 30 GGEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cncs2)CC1 ZINC000411415029 565728863 /nfs/dbraw/zinc/72/88/63/565728863.db2.gz BFIMARFPPHNAFP-QGZVFWFLSA-N 1 1 391.338 3.331 20 30 GGEDMO CC[C@@H]1CN(C(=O)Nc2cccc(C)c2Br)CC[N@H+]1C[C@H](C)O ZINC000330943905 565731205 /nfs/dbraw/zinc/73/12/05/565731205.db2.gz FVWMURBWWYXWDF-UONOGXRCSA-N 1 1 384.318 3.080 20 30 GGEDMO CC[C@@H]1CN(C(=O)Nc2cccc(C)c2Br)CC[N@H+]1C[C@@H](C)O ZINC000330943906 565731550 /nfs/dbraw/zinc/73/15/50/565731550.db2.gz FVWMURBWWYXWDF-ZIAGYGMSSA-N 1 1 384.318 3.080 20 30 GGEDMO C=CC[N@H+](C)CCN(CC)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000411634698 565740889 /nfs/dbraw/zinc/74/08/89/565740889.db2.gz APEKJMBXIKUBGX-UHFFFAOYSA-N 1 1 393.329 3.363 20 30 GGEDMO COc1cc(OC)c(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1Br ZINC000331157902 565743313 /nfs/dbraw/zinc/74/33/13/565743313.db2.gz DMCPPIWMXGSRPA-WDEREUQCSA-N 1 1 386.290 3.036 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccoc3Br)CC2)cc1 ZINC000193371772 565748503 /nfs/dbraw/zinc/74/85/03/565748503.db2.gz VJKTUNJNGKBHKN-UHFFFAOYSA-N 1 1 388.265 3.262 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccoc3Br)CC2)cc1 ZINC000193371772 565748508 /nfs/dbraw/zinc/74/85/08/565748508.db2.gz VJKTUNJNGKBHKN-UHFFFAOYSA-N 1 1 388.265 3.262 20 30 GGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000281895546 565755091 /nfs/dbraw/zinc/75/50/91/565755091.db2.gz FCNXPLSQQTWDEB-INIZCTEOSA-N 1 1 394.313 3.008 20 30 GGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000331462328 565761144 /nfs/dbraw/zinc/76/11/44/565761144.db2.gz FYJJCBAVUFDNHV-AWEZNQCLSA-N 1 1 383.323 3.266 20 30 GGEDMO N#CC1(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CCC1 ZINC000412979711 565827266 /nfs/dbraw/zinc/82/72/66/565827266.db2.gz ZZCFZJNGHLCWPP-UHFFFAOYSA-N 1 1 376.298 3.224 20 30 GGEDMO N#Cc1csc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000177684049 565868019 /nfs/dbraw/zinc/86/80/19/565868019.db2.gz POLUFCIMFCOESN-UHFFFAOYSA-N 1 1 375.519 3.084 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000178685612 565932634 /nfs/dbraw/zinc/93/26/34/565932634.db2.gz ILDQDXGBKSTGAL-UHFFFAOYSA-N 1 1 393.734 3.031 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(Br)c1 ZINC000286312016 565952918 /nfs/dbraw/zinc/95/29/18/565952918.db2.gz CYILNMJCMHESOG-OLZOCXBDSA-N 1 1 377.204 3.313 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(Br)c1 ZINC000286312016 565952921 /nfs/dbraw/zinc/95/29/21/565952921.db2.gz CYILNMJCMHESOG-OLZOCXBDSA-N 1 1 377.204 3.313 20 30 GGEDMO CC[C@](C)(C#N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000286776707 565979713 /nfs/dbraw/zinc/97/97/13/565979713.db2.gz ODYPMHLMSNAIJO-GOSISDBHSA-N 1 1 378.314 3.470 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000287286840 566009298 /nfs/dbraw/zinc/00/92/98/566009298.db2.gz RVTYFCUYRQLSRZ-XJKSGUPXSA-N 1 1 377.286 3.269 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(Br)c1 ZINC000180970692 566103780 /nfs/dbraw/zinc/10/37/80/566103780.db2.gz GPFPOEUPRPHDPT-INIZCTEOSA-N 1 1 376.298 3.059 20 30 GGEDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181060435 566109199 /nfs/dbraw/zinc/10/91/99/566109199.db2.gz FCUMMNZQNMIMAB-OAHLLOKOSA-N 1 1 378.314 3.305 20 30 GGEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181060435 566109205 /nfs/dbraw/zinc/10/92/05/566109205.db2.gz FCUMMNZQNMIMAB-OAHLLOKOSA-N 1 1 378.314 3.305 20 30 GGEDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C#N)cc1Br)CC2 ZINC000181119494 566116725 /nfs/dbraw/zinc/11/67/25/566116725.db2.gz KHYXFOICLXISFB-DLBZAZTESA-N 1 1 379.298 3.073 20 30 GGEDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C#N)cc1Br)CC2 ZINC000181119524 566116752 /nfs/dbraw/zinc/11/67/52/566116752.db2.gz KHYXFOICLXISFB-IAGOWNOFSA-N 1 1 379.298 3.073 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3cnc(Br)s3)CC2)cc1 ZINC000289358078 566118376 /nfs/dbraw/zinc/11/83/76/566118376.db2.gz NWAKIQCQJKWWRW-UHFFFAOYSA-N 1 1 391.338 3.485 20 30 GGEDMO C=CCNC(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000181126745 566118306 /nfs/dbraw/zinc/11/83/06/566118306.db2.gz CPUYTBJOMJOUNE-UHFFFAOYSA-N 1 1 394.225 3.009 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnc(Br)s3)CC2)cc1 ZINC000289358078 566118382 /nfs/dbraw/zinc/11/83/82/566118382.db2.gz NWAKIQCQJKWWRW-UHFFFAOYSA-N 1 1 391.338 3.485 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c(Br)c1 ZINC000181142552 566119431 /nfs/dbraw/zinc/11/94/31/566119431.db2.gz BYWUXJDECVRBNT-QGZVFWFLSA-N 1 1 379.298 3.481 20 30 GGEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365874839 566124199 /nfs/dbraw/zinc/12/41/99/566124199.db2.gz NOQYEOCAJGNBFQ-UHFFFAOYSA-N 1 1 390.241 3.263 20 30 GGEDMO N#Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c[nH]1 ZINC000181348399 566135208 /nfs/dbraw/zinc/13/52/08/566135208.db2.gz PUBANSZXLGNUGN-UHFFFAOYSA-N 1 1 387.281 3.043 20 30 GGEDMO C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183016570 566235225 /nfs/dbraw/zinc/23/52/25/566235225.db2.gz GYLSXKGYDIHXNJ-UONOGXRCSA-N 1 1 381.929 3.143 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)cc1OC ZINC000668739618 566263010 /nfs/dbraw/zinc/26/30/10/566263010.db2.gz NSUMFFKMIXKVCO-SCLBCKFNSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)cc1OC ZINC000668739618 566263015 /nfs/dbraw/zinc/26/30/15/566263015.db2.gz NSUMFFKMIXKVCO-SCLBCKFNSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)cc1OC ZINC000668739620 566263491 /nfs/dbraw/zinc/26/34/91/566263491.db2.gz NSUMFFKMIXKVCO-UGSOOPFHSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)cc1OC ZINC000668739620 566263497 /nfs/dbraw/zinc/26/34/97/566263497.db2.gz NSUMFFKMIXKVCO-UGSOOPFHSA-N 1 1 384.314 3.473 20 30 GGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526032 566272004 /nfs/dbraw/zinc/27/20/04/566272004.db2.gz CBZIIAFANAEXCE-XJKSGUPXSA-N 1 1 396.354 3.376 20 30 GGEDMO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cc(F)c(Br)cc1F ZINC000599542781 566273460 /nfs/dbraw/zinc/27/34/60/566273460.db2.gz XQSYDPLXVIOGAW-FVMDXXJSSA-N 1 1 386.240 3.186 20 30 GGEDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cc(F)c(Br)cc1F ZINC000599540906 566273584 /nfs/dbraw/zinc/27/35/84/566273584.db2.gz DCGKRBRJDYUUMQ-ZJUUUORDSA-N 1 1 386.240 3.329 20 30 GGEDMO C[C@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)C(=O)NC1(C#N)CCC1 ZINC000599540904 566273860 /nfs/dbraw/zinc/27/38/60/566273860.db2.gz DCGKRBRJDYUUMQ-UWVGGRQHSA-N 1 1 386.240 3.329 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cc(F)c(Br)cc1F ZINC000599542782 566274283 /nfs/dbraw/zinc/27/42/83/566274283.db2.gz XQSYDPLXVIOGAW-JDNHERCYSA-N 1 1 386.240 3.186 20 30 GGEDMO Cn1cc[nH+]c1N1CCC(Nc2cc(Br)c(C#N)cc2F)CC1 ZINC000575761500 566283337 /nfs/dbraw/zinc/28/33/37/566283337.db2.gz CRROIMYVQXUEPP-UHFFFAOYSA-N 1 1 378.249 3.274 20 30 GGEDMO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669817576 566328322 /nfs/dbraw/zinc/32/83/22/566328322.db2.gz LTVZUJKMXZFHDL-CQSZACIVSA-N 1 1 390.329 3.424 20 30 GGEDMO C=CCn1c(-c2ccccc2Br)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669815053 566328771 /nfs/dbraw/zinc/32/87/71/566328771.db2.gz IXEYBFPKFCZGPR-AWEZNQCLSA-N 1 1 390.329 3.424 20 30 GGEDMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)NC1(C#N)CCCCC1 ZINC000482992379 566350278 /nfs/dbraw/zinc/35/02/78/566350278.db2.gz UDPXTMRZCKXDTB-STQMWFEESA-N 1 1 379.302 3.226 20 30 GGEDMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000421320397 566364687 /nfs/dbraw/zinc/36/46/87/566364687.db2.gz CAKJNHJKXMMLQY-UHFFFAOYSA-N 1 1 381.498 3.079 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)cc1OC ZINC000421361827 566368930 /nfs/dbraw/zinc/36/89/30/566368930.db2.gz LWKIMKKYIYXTRF-DZGCQCFKSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)cc1OC ZINC000421361827 566368932 /nfs/dbraw/zinc/36/89/32/566368932.db2.gz LWKIMKKYIYXTRF-DZGCQCFKSA-N 1 1 384.314 3.473 20 30 GGEDMO N#CC1(F)CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000510932848 566421642 /nfs/dbraw/zinc/42/16/42/566421642.db2.gz GUQQRGJTKRZYLV-GFCCVEGCSA-N 1 1 391.668 3.170 20 30 GGEDMO CC(C)([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1Br ZINC000537123001 566425462 /nfs/dbraw/zinc/42/54/62/566425462.db2.gz YXZYSODYLKRYAO-UHFFFAOYSA-N 1 1 386.293 3.462 20 30 GGEDMO C=CCNC(=O)C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000537414797 566445177 /nfs/dbraw/zinc/44/51/77/566445177.db2.gz UPCNUMZVBWKPAM-UHFFFAOYSA-N 1 1 389.293 3.420 20 30 GGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000602439158 566471322 /nfs/dbraw/zinc/47/13/22/566471322.db2.gz IEMHGVZQPVQNMX-UHFFFAOYSA-N 1 1 377.897 3.270 20 30 GGEDMO N#Cc1ccccc1OCC[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485113731 566476655 /nfs/dbraw/zinc/47/66/55/566476655.db2.gz NMUVYEFFIUWXII-UHFFFAOYSA-N 1 1 381.295 3.256 20 30 GGEDMO N#Cc1cccc(OCC[N@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000485124051 566478070 /nfs/dbraw/zinc/47/80/70/566478070.db2.gz OYISJMKPNNVBDO-UHFFFAOYSA-N 1 1 381.295 3.256 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511681059 566481957 /nfs/dbraw/zinc/48/19/57/566481957.db2.gz KJSBMVQDFRSNGX-STQMWFEESA-N 1 1 377.204 3.313 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511681059 566481959 /nfs/dbraw/zinc/48/19/59/566481959.db2.gz KJSBMVQDFRSNGX-STQMWFEESA-N 1 1 377.204 3.313 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448603997 566482262 /nfs/dbraw/zinc/48/22/62/566482262.db2.gz BPIGVENSBWHNIB-KRWDZBQOSA-N 1 1 384.277 3.325 20 30 GGEDMO CC[N@@H+]1CCc2nc(NC(=O)c3cccc(C#N)c3Br)sc2C1 ZINC000448603307 566482345 /nfs/dbraw/zinc/48/23/45/566482345.db2.gz ILJXDHCSNFVFHC-UHFFFAOYSA-N 1 1 391.294 3.408 20 30 GGEDMO CC[N@H+]1CCc2nc(NC(=O)c3cccc(C#N)c3Br)sc2C1 ZINC000448603307 566482358 /nfs/dbraw/zinc/48/23/58/566482358.db2.gz ILJXDHCSNFVFHC-UHFFFAOYSA-N 1 1 391.294 3.408 20 30 GGEDMO C[C@H](CNC(=O)c1cccc(C#N)c1Br)[N@H+]1CCc2ccccc2C1 ZINC000448667707 566486596 /nfs/dbraw/zinc/48/65/96/566486596.db2.gz LWTLULVXAJRBDP-CQSZACIVSA-N 1 1 398.304 3.497 20 30 GGEDMO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Br)cc1OCCCO ZINC000602675557 566487559 /nfs/dbraw/zinc/48/75/59/566487559.db2.gz KOXIFZFDNIACQH-ZDUSSCGKSA-N 1 1 390.281 3.328 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cccc(-c3nc(C)cs3)c2)CC1 ZINC000558584677 566488399 /nfs/dbraw/zinc/48/83/99/566488399.db2.gz SCSAIVAHYPSPKU-UHFFFAOYSA-N 1 1 377.535 3.047 20 30 GGEDMO N#CCC1(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000602790813 566494578 /nfs/dbraw/zinc/49/45/78/566494578.db2.gz KSAKXRLGNJBDPX-CYBMUJFWSA-N 1 1 377.286 3.188 20 30 GGEDMO C=CCn1cc(C[NH2+][C@H](CCCOC)c2ccc(Br)cc2)nn1 ZINC000424290751 566526596 /nfs/dbraw/zinc/52/65/96/566526596.db2.gz CCQSGRJTYGOJRE-QGZVFWFLSA-N 1 1 379.302 3.484 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)COc1cccc(Br)c1C#N ZINC000449100901 566529097 /nfs/dbraw/zinc/52/90/97/566529097.db2.gz CZUGNJZGKPYJCE-CQSZACIVSA-N 1 1 394.313 3.080 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccsc1 ZINC000603632069 566535261 /nfs/dbraw/zinc/53/52/61/566535261.db2.gz RPLXMPQISWJJRN-SFHVURJKSA-N 1 1 377.535 3.122 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000603632064 566535828 /nfs/dbraw/zinc/53/58/28/566535828.db2.gz QVPZNLHSAHYFLZ-GOSISDBHSA-N 1 1 377.535 3.122 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000603660735 566537272 /nfs/dbraw/zinc/53/72/72/566537272.db2.gz VJEVCBHBWGPAOW-INIZCTEOSA-N 1 1 395.937 3.389 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000603807393 566540886 /nfs/dbraw/zinc/54/08/86/566540886.db2.gz UQGMQIHPVMLFPB-KDOFPFPSSA-N 1 1 396.329 3.203 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000603807393 566540894 /nfs/dbraw/zinc/54/08/94/566540894.db2.gz UQGMQIHPVMLFPB-KDOFPFPSSA-N 1 1 396.329 3.203 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000603807385 566541160 /nfs/dbraw/zinc/54/11/60/566541160.db2.gz UQGMQIHPVMLFPB-KBXCAEBGSA-N 1 1 396.329 3.203 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000603807385 566541161 /nfs/dbraw/zinc/54/11/61/566541161.db2.gz UQGMQIHPVMLFPB-KBXCAEBGSA-N 1 1 396.329 3.203 20 30 GGEDMO Cc1cc(NC(=O)C[NH2+]Cc2ccc(C#N)cc2F)ccc1Br ZINC000578713438 566546890 /nfs/dbraw/zinc/54/68/90/566546890.db2.gz JIDPJNCSJPFNHD-UHFFFAOYSA-N 1 1 376.229 3.497 20 30 GGEDMO CC[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000559792536 566571485 /nfs/dbraw/zinc/57/14/85/566571485.db2.gz CJUQHGIYNQOYBL-ZDUSSCGKSA-N 1 1 377.897 3.442 20 30 GGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000449546786 566575456 /nfs/dbraw/zinc/57/54/56/566575456.db2.gz DTUVGYLGSYZBLT-YPMHNXCESA-N 1 1 376.092 3.430 20 30 GGEDMO N#Cc1ccc([C@H]([NH2+]Cc2cc3cc(Br)ccc3[nH]2)C(N)=O)cc1 ZINC000467003137 566615209 /nfs/dbraw/zinc/61/52/09/566615209.db2.gz JVRNGRMXFMAAEV-KRWDZBQOSA-N 1 1 383.249 3.118 20 30 GGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000449973230 566621339 /nfs/dbraw/zinc/62/13/39/566621339.db2.gz QMZMRTYGSWSABQ-ZFWWWQNUSA-N 1 1 394.313 3.031 20 30 GGEDMO C[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C2(CCCCC2)C1 ZINC000450002376 566623763 /nfs/dbraw/zinc/62/37/63/566623763.db2.gz HSJNIQKMBDUKNL-UHFFFAOYSA-N 1 1 376.298 3.411 20 30 GGEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000450017587 566625684 /nfs/dbraw/zinc/62/56/84/566625684.db2.gz OOHHVGSCVHERIB-AWEZNQCLSA-N 1 1 376.298 3.125 20 30 GGEDMO N#Cc1cc(Br)cnc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425271392 566626498 /nfs/dbraw/zinc/62/64/98/566626498.db2.gz CQUVTNXRPKDRSP-MAUKXSAKSA-N 1 1 383.293 3.426 20 30 GGEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000450066533 566630375 /nfs/dbraw/zinc/63/03/75/566630375.db2.gz GQMXRQKVNPSAKW-AWEZNQCLSA-N 1 1 376.298 3.125 20 30 GGEDMO C[C@@H]1C[C@@]1(C#N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000450134258 566636922 /nfs/dbraw/zinc/63/69/22/566636922.db2.gz IPLRDWWDQSJMPL-ACJLOTCBSA-N 1 1 376.298 3.079 20 30 GGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000450277750 566652211 /nfs/dbraw/zinc/65/22/11/566652211.db2.gz NGAJDRSOYHNDLB-CQSZACIVSA-N 1 1 378.314 3.419 20 30 GGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)c(OC)c(OCC)c2)C1=O ZINC000467523565 566652790 /nfs/dbraw/zinc/65/27/90/566652790.db2.gz VVQONHINNGAEAC-OAHLLOKOSA-N 1 1 397.313 3.075 20 30 GGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)c(OC)c(OCC)c2)C1=O ZINC000467523565 566652795 /nfs/dbraw/zinc/65/27/95/566652795.db2.gz VVQONHINNGAEAC-OAHLLOKOSA-N 1 1 397.313 3.075 20 30 GGEDMO C=CCOCCC[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000425519280 566652833 /nfs/dbraw/zinc/65/28/33/566652833.db2.gz OKVPRRDNGIFBPQ-DLBZAZTESA-N 1 1 382.298 3.230 20 30 GGEDMO N#CCCC1CC[NH+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000579947544 566652962 /nfs/dbraw/zinc/65/29/62/566652962.db2.gz RRVRVPGTUZMMEP-UHFFFAOYSA-N 1 1 397.260 3.245 20 30 GGEDMO C[N@H+]1C[C@H](NC(=O)c2cccc(C#N)c2Br)[C@@H](c2ccccc2)C1 ZINC000450293318 566654025 /nfs/dbraw/zinc/65/40/25/566654025.db2.gz YEARALSKZGRPSP-SJORKVTESA-N 1 1 384.277 3.148 20 30 GGEDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C#N)c2Br)C1 ZINC000450293315 566654177 /nfs/dbraw/zinc/65/41/77/566654177.db2.gz YEARALSKZGRPSP-DLBZAZTESA-N 1 1 384.277 3.148 20 30 GGEDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ncc(Br)cc1C#N ZINC000450458898 566673584 /nfs/dbraw/zinc/67/35/84/566673584.db2.gz ZDHYCGJDTLJTOK-YOEHRIQHSA-N 1 1 386.297 3.240 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000580510196 566699575 /nfs/dbraw/zinc/69/95/75/566699575.db2.gz CBPCVWZMOCHTKS-GOEBONIOSA-N 1 1 390.325 3.264 20 30 GGEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000515559473 566720599 /nfs/dbraw/zinc/72/05/99/566720599.db2.gz QMEWMURDCIUFAD-OLZOCXBDSA-N 1 1 393.333 3.141 20 30 GGEDMO N#CCC1(CS(=O)(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000451045642 566742860 /nfs/dbraw/zinc/74/28/60/566742860.db2.gz MXNGBCXDIVRMKE-KRWDZBQOSA-N 1 1 381.929 3.090 20 30 GGEDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451139129 566763756 /nfs/dbraw/zinc/76/37/56/566763756.db2.gz NNTGKHWIMXGREC-UHFFFAOYSA-N 1 1 377.897 3.163 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000562312974 566780604 /nfs/dbraw/zinc/78/06/04/566780604.db2.gz WPEFYVRMTWGDHL-KRWDZBQOSA-N 1 1 376.865 3.099 20 30 GGEDMO C=CCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000489433342 566789140 /nfs/dbraw/zinc/78/91/40/566789140.db2.gz GZVDKBVKTMNHKM-INIZCTEOSA-N 1 1 376.444 3.165 20 30 GGEDMO C=CCCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000489433342 566789143 /nfs/dbraw/zinc/78/91/43/566789143.db2.gz GZVDKBVKTMNHKM-INIZCTEOSA-N 1 1 376.444 3.165 20 30 GGEDMO N#CCc1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC000451327691 566797491 /nfs/dbraw/zinc/79/74/91/566797491.db2.gz SYNQERLKKHJILZ-UHFFFAOYSA-N 1 1 381.929 3.045 20 30 GGEDMO N#CCC1(CS(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000581984571 566819764 /nfs/dbraw/zinc/81/97/64/566819764.db2.gz LKOYHSUKTFFWJP-KRWDZBQOSA-N 1 1 381.929 3.090 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)cc1OC ZINC000470148163 566850224 /nfs/dbraw/zinc/85/02/24/566850224.db2.gz JFGWPXXYWGNAOS-JSGCOSHPSA-N 1 1 398.297 3.406 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)cc1OC ZINC000470148163 566850229 /nfs/dbraw/zinc/85/02/29/566850229.db2.gz JFGWPXXYWGNAOS-JSGCOSHPSA-N 1 1 398.297 3.406 20 30 GGEDMO C[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1Cc1ccccc1 ZINC000451759633 566875154 /nfs/dbraw/zinc/87/51/54/566875154.db2.gz SLJWRDYQGDPACU-GOSISDBHSA-N 1 1 398.304 3.320 20 30 GGEDMO C[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1Cc1ccccc1 ZINC000451759633 566875161 /nfs/dbraw/zinc/87/51/61/566875161.db2.gz SLJWRDYQGDPACU-GOSISDBHSA-N 1 1 398.304 3.320 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3Br)C2)nc1 ZINC000428784497 566878157 /nfs/dbraw/zinc/87/81/57/566878157.db2.gz SWGWYMKBLGCNAS-INIZCTEOSA-N 1 1 383.249 3.241 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C#N)cc3Br)C2)nc1 ZINC000428784497 566878158 /nfs/dbraw/zinc/87/81/58/566878158.db2.gz SWGWYMKBLGCNAS-INIZCTEOSA-N 1 1 383.249 3.241 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1OC ZINC000543412965 566878880 /nfs/dbraw/zinc/87/88/80/566878880.db2.gz RRGQOPVUPZZLJD-SQWLQELKSA-N 1 1 382.298 3.225 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCOc3ccc(Br)cc3)C2)nc1 ZINC000428797573 566879914 /nfs/dbraw/zinc/87/99/14/566879914.db2.gz DNXBHADWOMFNOR-QGZVFWFLSA-N 1 1 388.265 3.248 20 30 GGEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000611092838 566889481 /nfs/dbraw/zinc/88/94/81/566889481.db2.gz JFWIQCBOFGFBBB-VXGBXAGGSA-N 1 1 384.307 3.483 20 30 GGEDMO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000518623040 566896893 /nfs/dbraw/zinc/89/68/93/566896893.db2.gz PGEZUPZTTHWYMU-LBPRGKRZSA-N 1 1 390.256 3.427 20 30 GGEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429003628 566899567 /nfs/dbraw/zinc/89/95/67/566899567.db2.gz IOZYAIRTKJAIIV-INIZCTEOSA-N 1 1 379.229 3.292 20 30 GGEDMO C[C@@](CO)([NH2+]CC(=O)Nc1sccc1C#N)c1cc(Cl)cc(Cl)c1 ZINC000451917500 566908358 /nfs/dbraw/zinc/90/83/58/566908358.db2.gz XCIYGXZYCBOZBZ-INIZCTEOSA-N 1 1 384.288 3.362 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429160277 566911105 /nfs/dbraw/zinc/91/11/05/566911105.db2.gz RZNDIGIQYLAEDW-QGZVFWFLSA-N 1 1 376.913 3.162 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429160277 566911114 /nfs/dbraw/zinc/91/11/14/566911114.db2.gz RZNDIGIQYLAEDW-QGZVFWFLSA-N 1 1 376.913 3.162 20 30 GGEDMO C=CCn1c(SC[C@@H](O)C[N@H+](C)C(C)C)nc2sc(C)c(C)c2c1=O ZINC000656692723 566934116 /nfs/dbraw/zinc/93/41/16/566934116.db2.gz HKHQNIHINIHFSH-AWEZNQCLSA-N 1 1 381.567 3.054 20 30 GGEDMO CCC[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@H+]1CCOC ZINC000492720234 566938336 /nfs/dbraw/zinc/93/83/36/566938336.db2.gz HMSPOTQOJPDNQI-KRWDZBQOSA-N 1 1 380.330 3.253 20 30 GGEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129732 566940862 /nfs/dbraw/zinc/94/08/62/566940862.db2.gz XWGRYBQHYXOKPL-HEHGZKQESA-N 1 1 376.298 3.123 20 30 GGEDMO C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@H+](C2CCC2)C1 ZINC000452319829 566962754 /nfs/dbraw/zinc/96/27/54/566962754.db2.gz GJXIQDQQKWXAQF-ZDUSSCGKSA-N 1 1 376.298 3.267 20 30 GGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000564312799 566963822 /nfs/dbraw/zinc/96/38/22/566963822.db2.gz QDNKZOHKQQAIMH-MRXNPFEDSA-N 1 1 386.945 3.008 20 30 GGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000564312799 566963828 /nfs/dbraw/zinc/96/38/28/566963828.db2.gz QDNKZOHKQQAIMH-MRXNPFEDSA-N 1 1 386.945 3.008 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000519869390 566976030 /nfs/dbraw/zinc/97/60/30/566976030.db2.gz OFBZWMIOGKUJPX-MRXNPFEDSA-N 1 1 381.885 3.166 20 30 GGEDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000564492480 566979476 /nfs/dbraw/zinc/97/94/76/566979476.db2.gz SRKGKABPRSRFOG-AWEZNQCLSA-N 1 1 383.945 3.094 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430239020 567001512 /nfs/dbraw/zinc/00/15/12/567001512.db2.gz AEVZKILYPSPUHB-INIZCTEOSA-N 1 1 382.277 3.487 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430239022 567002447 /nfs/dbraw/zinc/00/24/47/567002447.db2.gz AEVZKILYPSPUHB-MRXNPFEDSA-N 1 1 382.277 3.487 20 30 GGEDMO COCC#CC[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000682372887 567041189 /nfs/dbraw/zinc/04/11/89/567041189.db2.gz YFGXDZHUEGVTSQ-MRXNPFEDSA-N 1 1 382.298 3.089 20 30 GGEDMO COCC#CC[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000682372887 567041192 /nfs/dbraw/zinc/04/11/92/567041192.db2.gz YFGXDZHUEGVTSQ-MRXNPFEDSA-N 1 1 382.298 3.089 20 30 GGEDMO C=CCCn1cc(C[NH2+][C@H](C)[C@H](OC)c2ccc(Br)cc2)nn1 ZINC000657426000 567056792 /nfs/dbraw/zinc/05/67/92/567056792.db2.gz UNHDGHNGAPBNOF-DYVFJYSZSA-N 1 1 379.302 3.483 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccsc1 ZINC000523573818 567161941 /nfs/dbraw/zinc/16/19/41/567161941.db2.gz FJFYDZHXSYRKQQ-MRXNPFEDSA-N 1 1 381.498 3.120 20 30 GGEDMO N#C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccccc1Br ZINC000589838357 567193458 /nfs/dbraw/zinc/19/34/58/567193458.db2.gz FACQPNSEFJNLCM-INIZCTEOSA-N 1 1 389.253 3.028 20 30 GGEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000567001814 567209148 /nfs/dbraw/zinc/20/91/48/567209148.db2.gz OAOYFLBYYHCMAX-IBGZPJMESA-N 1 1 385.309 3.269 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433303030 567240093 /nfs/dbraw/zinc/24/00/93/567240093.db2.gz ZLKSDZVGWWORNN-QFBILLFUSA-N 1 1 392.341 3.368 20 30 GGEDMO C=CCOc1cccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000475433121 567248345 /nfs/dbraw/zinc/24/83/45/567248345.db2.gz WGNPPPLJTIDUSH-QGZVFWFLSA-N 1 1 375.266 3.330 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1OCC ZINC000685474717 567277170 /nfs/dbraw/zinc/27/71/70/567277170.db2.gz KITYRYPKROLOPT-ZDUSSCGKSA-N 1 1 397.313 3.110 20 30 GGEDMO N#Cc1ccc(Br)c(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000617194770 567290429 /nfs/dbraw/zinc/29/04/29/567290429.db2.gz BFNVDCUTDCCLJK-QGZVFWFLSA-N 1 1 378.314 3.007 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c(Br)c1 ZINC000592155927 567318409 /nfs/dbraw/zinc/31/84/09/567318409.db2.gz VDZYZUKDGZQFHI-GOSISDBHSA-N 1 1 398.304 3.459 20 30 GGEDMO Cc1cc2c(o1)c(C(=O)NC1(C#N)CC[NH+](C)CC1)ccc2Br ZINC000527487301 567339373 /nfs/dbraw/zinc/33/93/73/567339373.db2.gz WOXBUCYONKZNNS-UHFFFAOYSA-N 1 1 376.254 3.222 20 30 GGEDMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592522559 567343762 /nfs/dbraw/zinc/34/37/62/567343762.db2.gz FKVLUABBSYIQQU-GOSISDBHSA-N 1 1 389.297 3.102 20 30 GGEDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCC#N ZINC000456370647 567367169 /nfs/dbraw/zinc/36/71/69/567367169.db2.gz MKVAUDUPCHNDMF-CYBMUJFWSA-N 1 1 379.302 3.222 20 30 GGEDMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC(C)(C)C#N ZINC000456370948 567367239 /nfs/dbraw/zinc/36/72/39/567367239.db2.gz MXCSZFLRKAFGKG-ZDUSSCGKSA-N 1 1 393.329 3.468 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477085570 567370347 /nfs/dbraw/zinc/37/03/47/567370347.db2.gz SSPSKQLYHPDFNZ-QGZVFWFLSA-N 1 1 398.260 3.085 20 30 GGEDMO C[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477085570 567370352 /nfs/dbraw/zinc/37/03/52/567370352.db2.gz SSPSKQLYHPDFNZ-QGZVFWFLSA-N 1 1 398.260 3.085 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2cnnn2CC)cc1OCC ZINC000527725199 567370641 /nfs/dbraw/zinc/37/06/41/567370641.db2.gz BEQAVESCLBCABW-UHFFFAOYSA-N 1 1 395.301 3.314 20 30 GGEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000549246892 567380948 /nfs/dbraw/zinc/38/09/48/567380948.db2.gz ICURKIXMSCRZJV-KRWDZBQOSA-N 1 1 398.315 3.446 20 30 GGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507138 567432316 /nfs/dbraw/zinc/43/23/16/567432316.db2.gz VWCUPMGLZGYOOS-BPQIPLTHSA-N 1 1 393.325 3.249 20 30 GGEDMO [NH3+][C@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1F ZINC000662615173 567452563 /nfs/dbraw/zinc/45/25/63/567452563.db2.gz XSHMAQQWVVQQQQ-JTQLQIEISA-N 1 1 376.247 3.308 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000594103931 567460346 /nfs/dbraw/zinc/46/03/46/567460346.db2.gz OUZZBTNFDRPHTQ-CVEARBPZSA-N 1 1 377.286 3.459 20 30 GGEDMO N#Cc1cnn2cc(C[NH2+]Cc3ccc(Br)cc3Cl)cnc12 ZINC000550840993 567466382 /nfs/dbraw/zinc/46/63/82/567466382.db2.gz YWBSAQGVQVNYAI-UHFFFAOYSA-N 1 1 376.645 3.307 20 30 GGEDMO N#Cc1cc(Cl)c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000619731842 567477675 /nfs/dbraw/zinc/47/76/75/567477675.db2.gz NITWLOKZLPJBSO-ZDUSSCGKSA-N 1 1 382.291 3.049 20 30 GGEDMO N#Cc1cc(F)c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000594543919 567484931 /nfs/dbraw/zinc/48/49/31/567484931.db2.gz GGCYFCCNKHJBKG-AWEZNQCLSA-N 1 1 382.277 3.151 20 30 GGEDMO N#Cc1cc(F)c(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1Br ZINC000594543920 567485698 /nfs/dbraw/zinc/48/56/98/567485698.db2.gz GGCYFCCNKHJBKG-CQSZACIVSA-N 1 1 382.277 3.151 20 30 GGEDMO CC1CCC([NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000503450831 567485744 /nfs/dbraw/zinc/48/57/44/567485744.db2.gz YBGXHMRSKJAJMO-UHFFFAOYSA-N 1 1 381.929 3.097 20 30 GGEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000594575987 567487188 /nfs/dbraw/zinc/48/71/88/567487188.db2.gz NBMPPDOCTWADMY-GFCCVEGCSA-N 1 1 382.277 3.149 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000594753328 567506772 /nfs/dbraw/zinc/50/67/72/567506772.db2.gz IOPLPNUSYJPCIZ-HNNXBMFYSA-N 1 1 377.535 3.044 20 30 GGEDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594757100 567507763 /nfs/dbraw/zinc/50/77/63/567507763.db2.gz KUSZTNLYGQYLKJ-HNNXBMFYSA-N 1 1 377.535 3.044 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000458035859 567516338 /nfs/dbraw/zinc/51/63/38/567516338.db2.gz NMRQYJADTOKNDY-UHFFFAOYSA-N 1 1 380.242 3.316 20 30 GGEDMO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Br)cc1F ZINC000570857798 567519463 /nfs/dbraw/zinc/51/94/63/567519463.db2.gz ITYIRWBBHMLRFC-LBPRGKRZSA-N 1 1 390.256 3.427 20 30 GGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479351013 567528235 /nfs/dbraw/zinc/52/82/35/567528235.db2.gz NWPOYDJNLPSTEB-SNVBAGLBSA-N 1 1 384.288 3.363 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ncsc3Br)CC2)cc1 ZINC000595289218 567552033 /nfs/dbraw/zinc/55/20/33/567552033.db2.gz NSANVLPFOHGBKA-UHFFFAOYSA-N 1 1 391.338 3.485 20 30 GGEDMO N#Cc1ccc(CC[N@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000595305992 567552735 /nfs/dbraw/zinc/55/27/35/567552735.db2.gz FPTMXMPPRDMYJA-UHFFFAOYSA-N 1 1 377.257 3.497 20 30 GGEDMO CC#CCN(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000458562715 567555032 /nfs/dbraw/zinc/55/50/32/567555032.db2.gz KONRLLMPQBYRLD-UHFFFAOYSA-N 1 1 378.314 3.078 20 30 GGEDMO Cc1cc(Br)c(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1Cl ZINC000595397087 567561800 /nfs/dbraw/zinc/56/18/00/567561800.db2.gz HYDYDQQIZKRMKP-UHFFFAOYSA-N 1 1 396.720 3.483 20 30 GGEDMO CC1(C)C[C@@H]([NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CO1 ZINC000595406416 567562041 /nfs/dbraw/zinc/56/20/41/567562041.db2.gz IZDBWDOEESZTEY-IAGOWNOFSA-N 1 1 378.314 3.199 20 30 GGEDMO CC(C)(CC#N)CS(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000571493626 567566258 /nfs/dbraw/zinc/56/62/58/567566258.db2.gz BQDHPJMEUUMKGZ-KRWDZBQOSA-N 1 1 383.945 3.336 20 30 GGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000439440270 567587734 /nfs/dbraw/zinc/58/77/34/567587734.db2.gz OHYGBVNIPJNEHT-ZDUSSCGKSA-N 1 1 377.897 3.313 20 30 GGEDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000439466436 567588336 /nfs/dbraw/zinc/58/83/36/567588336.db2.gz HPGVUTXVWFYSDC-GOSISDBHSA-N 1 1 395.297 3.112 20 30 GGEDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000439466436 567588342 /nfs/dbraw/zinc/58/83/42/567588342.db2.gz HPGVUTXVWFYSDC-GOSISDBHSA-N 1 1 395.297 3.112 20 30 GGEDMO N#Cc1cccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000480225358 567590241 /nfs/dbraw/zinc/59/02/41/567590241.db2.gz GLZKUDNSZLEAMT-INIZCTEOSA-N 1 1 391.290 3.329 20 30 GGEDMO C=CCCOCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000665675769 567634486 /nfs/dbraw/zinc/63/44/86/567634486.db2.gz AGNGUFIVYOWPNA-UHFFFAOYSA-N 1 1 381.314 3.122 20 30 GGEDMO CCC[C@@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@H+]1CCOC ZINC000481133440 567659843 /nfs/dbraw/zinc/65/98/43/567659843.db2.gz BSXHZEMAJXRVIV-QGZVFWFLSA-N 1 1 380.330 3.253 20 30 GGEDMO CC1CC(C#N)(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000531639622 567669693 /nfs/dbraw/zinc/66/96/93/567669693.db2.gz MKPNARKRGGFVOS-UHFFFAOYSA-N 1 1 390.325 3.470 20 30 GGEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)CC(C)(C)CN1CCOCC1 ZINC000553890677 567696331 /nfs/dbraw/zinc/69/63/31/567696331.db2.gz NVCYAIMKKMESNM-UHFFFAOYSA-N 1 1 380.330 3.111 20 30 GGEDMO CN(Cc1ccc(Br)cc1C#N)CC(C)(C)C[NH+]1CCOCC1 ZINC000553890677 567696336 /nfs/dbraw/zinc/69/63/36/567696336.db2.gz NVCYAIMKKMESNM-UHFFFAOYSA-N 1 1 380.330 3.111 20 30 GGEDMO C=CCCCCCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000573218364 567696467 /nfs/dbraw/zinc/69/64/67/567696467.db2.gz DLCGEJZVURAHDS-UHFFFAOYSA-N 1 1 396.329 3.312 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443010999 567723275 /nfs/dbraw/zinc/72/32/75/567723275.db2.gz GAICZSRCMVYIIG-VBQJREDUSA-N 1 1 381.929 3.238 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000443038381 567725675 /nfs/dbraw/zinc/72/56/75/567725675.db2.gz QBMYDGGRNRHPIY-OAHLLOKOSA-N 1 1 381.885 3.166 20 30 GGEDMO Cc1ccc([C@@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)[NH+](C)C)cc1 ZINC000443033275 567726220 /nfs/dbraw/zinc/72/62/20/567726220.db2.gz FENRZWYIUVQPLH-QGZVFWFLSA-N 1 1 377.897 3.101 20 30 GGEDMO COc1cc(C[N@H+](CCO)Cc2ccc(Br)s2)ccc1C#N ZINC000443066679 567728488 /nfs/dbraw/zinc/72/84/88/567728488.db2.gz RYABEWUYHPHKOV-UHFFFAOYSA-N 1 1 381.295 3.385 20 30 GGEDMO COc1cc(C[N@@H+](CCO)Cc2ccc(Br)s2)ccc1C#N ZINC000443066679 567728495 /nfs/dbraw/zinc/72/84/95/567728495.db2.gz RYABEWUYHPHKOV-UHFFFAOYSA-N 1 1 381.295 3.385 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(C)c1C#N)c1ccsc1 ZINC000443113811 567732465 /nfs/dbraw/zinc/73/24/65/567732465.db2.gz ZGNMMGMUOBZHKP-KRWDZBQOSA-N 1 1 377.535 3.290 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598510276 567772699 /nfs/dbraw/zinc/77/26/99/567772699.db2.gz KYTLPRCLPSLQHZ-KRWDZBQOSA-N 1 1 384.277 3.325 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000598510276 567772705 /nfs/dbraw/zinc/77/27/05/567772705.db2.gz KYTLPRCLPSLQHZ-KRWDZBQOSA-N 1 1 384.277 3.325 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598557952 567776795 /nfs/dbraw/zinc/77/67/95/567776795.db2.gz OOTDGXHIMYPLTB-AWEZNQCLSA-N 1 1 376.298 3.173 20 30 GGEDMO COCC[N@H+](Cc1cc(Br)cs1)C[C@H](O)CC(C)(C)C#N ZINC000598607623 567779392 /nfs/dbraw/zinc/77/93/92/567779392.db2.gz BKMPLGFKEVCPGA-CYBMUJFWSA-N 1 1 375.332 3.260 20 30 GGEDMO COC(=O)CC[N@H+](Cc1cccc(Br)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598616291 567779941 /nfs/dbraw/zinc/77/99/41/567779941.db2.gz NRXAUVYOTRGGDF-INIZCTEOSA-N 1 1 397.313 3.115 20 30 GGEDMO COC(=O)CC[N@H+](Cc1cccc(Br)c1)C[C@H](O)CC(C)(C)C#N ZINC000598616295 567780451 /nfs/dbraw/zinc/78/04/51/567780451.db2.gz NRXAUVYOTRGGDF-MRXNPFEDSA-N 1 1 397.313 3.115 20 30 GGEDMO Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1C#N ZINC000574631583 567789440 /nfs/dbraw/zinc/78/94/40/567789440.db2.gz MTRBIXFIFFEZFP-SFHVURJKSA-N 1 1 377.897 3.101 20 30 GGEDMO N#Cc1cccc(OCC[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000072293983 570496535 /nfs/dbraw/zinc/49/65/35/570496535.db2.gz AOVRWBCLEWIRLA-OAQYLSRUSA-N 1 1 391.471 3.365 20 30 GGEDMO N#Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000072293983 570496536 /nfs/dbraw/zinc/49/65/36/570496536.db2.gz AOVRWBCLEWIRLA-OAQYLSRUSA-N 1 1 391.471 3.365 20 30 GGEDMO Cc1nc2ccc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2nc1C ZINC000032845705 570852771 /nfs/dbraw/zinc/85/27/71/570852771.db2.gz PEPQKJQLZYUFEX-UHFFFAOYSA-N 1 1 399.498 3.466 20 30 GGEDMO Cc1nc2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2nc1C ZINC000032845705 570852778 /nfs/dbraw/zinc/85/27/78/570852778.db2.gz PEPQKJQLZYUFEX-UHFFFAOYSA-N 1 1 399.498 3.466 20 30 GGEDMO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000736253028 598861281 /nfs/dbraw/zinc/86/12/81/598861281.db2.gz SNXVBFSKLMEYMB-UKRRQHHQSA-N 1 1 386.504 3.421 20 30 GGEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC2)c1 ZINC000826386468 608529767 /nfs/dbraw/zinc/52/97/67/608529767.db2.gz GPDKAOWGIUXLNO-UHFFFAOYSA-N 1 1 382.374 3.119 20 30 GGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000823914300 608631445 /nfs/dbraw/zinc/63/14/45/608631445.db2.gz FDBSPAWHKUNCHN-UHFFFAOYSA-N 1 1 395.463 3.081 20 30 GGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823932121 608849439 /nfs/dbraw/zinc/84/94/39/608849439.db2.gz PDSSOBRZWLQALZ-FQEVSTJZSA-N 1 1 377.448 3.005 20 30 GGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823932121 608849440 /nfs/dbraw/zinc/84/94/40/608849440.db2.gz PDSSOBRZWLQALZ-FQEVSTJZSA-N 1 1 377.448 3.005 20 30 GGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823932122 608849661 /nfs/dbraw/zinc/84/96/61/608849661.db2.gz PDSSOBRZWLQALZ-HXUWFJFHSA-N 1 1 377.448 3.005 20 30 GGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000823932122 608849665 /nfs/dbraw/zinc/84/96/65/608849665.db2.gz PDSSOBRZWLQALZ-HXUWFJFHSA-N 1 1 377.448 3.005 20 30 GGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(-c2nn[nH]n2)cc1 ZINC000824611768 609367608 /nfs/dbraw/zinc/36/76/08/609367608.db2.gz DRJWBRGGLCOBIK-LLVKDONJSA-N 1 1 383.253 3.352 20 30 GGEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C1CC1 ZINC000052940479 1406237547 /nfs/dbraw/zinc/23/75/47/1406237547.db2.gz LAYQZOAISUDKTC-UHFFFAOYSA-N 1 1 384.455 3.154 20 30 GGEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C1CC1 ZINC000052940479 1406237563 /nfs/dbraw/zinc/23/75/63/1406237563.db2.gz LAYQZOAISUDKTC-UHFFFAOYSA-N 1 1 384.455 3.154 20 30 GGEDMO CCC1CC[NH+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000053382085 1406381675 /nfs/dbraw/zinc/38/16/75/1406381675.db2.gz WTHPYGRXCWVRBP-SFHVURJKSA-N 1 1 398.551 3.478 20 30 GGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)c(OC)c1 ZINC000053420192 1406389975 /nfs/dbraw/zinc/38/99/75/1406389975.db2.gz OOLWXRFYRNNNGE-AVRDEDQJSA-N 1 1 396.487 3.347 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000053420493 1406391794 /nfs/dbraw/zinc/39/17/94/1406391794.db2.gz PGLJNGNQTYHVCR-AVRDEDQJSA-N 1 1 392.503 3.429 20 30 GGEDMO COc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000053711316 1406485180 /nfs/dbraw/zinc/48/51/80/1406485180.db2.gz NVMLQADNECTHTQ-AWEZNQCLSA-N 1 1 399.516 3.455 20 30 GGEDMO COc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000053711316 1406485186 /nfs/dbraw/zinc/48/51/86/1406485186.db2.gz NVMLQADNECTHTQ-AWEZNQCLSA-N 1 1 399.516 3.455 20 30 GGEDMO COc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000053711321 1406485344 /nfs/dbraw/zinc/48/53/44/1406485344.db2.gz NVMLQADNECTHTQ-CQSZACIVSA-N 1 1 399.516 3.455 20 30 GGEDMO COc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000053711321 1406485353 /nfs/dbraw/zinc/48/53/53/1406485353.db2.gz NVMLQADNECTHTQ-CQSZACIVSA-N 1 1 399.516 3.455 20 30 GGEDMO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000053772483 1406506934 /nfs/dbraw/zinc/50/69/34/1406506934.db2.gz LTHJOXZXPYMSLT-QGZVFWFLSA-N 1 1 378.476 3.106 20 30 GGEDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000053772483 1406506945 /nfs/dbraw/zinc/50/69/45/1406506945.db2.gz LTHJOXZXPYMSLT-QGZVFWFLSA-N 1 1 378.476 3.106 20 30 GGEDMO COC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000053898086 1406548477 /nfs/dbraw/zinc/54/84/77/1406548477.db2.gz WCTRRRLCSQIHRB-UHFFFAOYSA-N 1 1 384.455 3.154 20 30 GGEDMO CC1(C)CC(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000053954947 1406568748 /nfs/dbraw/zinc/56/87/48/1406568748.db2.gz LXHHHWBDNVDTTR-UHFFFAOYSA-N 1 1 397.567 3.085 20 30 GGEDMO CC(C)(CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000053964771 1406572289 /nfs/dbraw/zinc/57/22/89/1406572289.db2.gz YMFNYFIELFYYGQ-UHFFFAOYSA-N 1 1 397.567 3.040 20 30 GGEDMO C[C@@H](CCc1ccco1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053978798 1406575970 /nfs/dbraw/zinc/57/59/70/1406575970.db2.gz VEDXWNCMZUZPFC-SFHVURJKSA-N 1 1 380.492 3.390 20 30 GGEDMO Cc1cc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cc(C)c1OCC(F)(F)F ZINC000054394319 1406718828 /nfs/dbraw/zinc/71/88/28/1406718828.db2.gz IKONKFUIJCWSIE-LJQANCHMSA-N 1 1 397.441 3.485 20 30 GGEDMO Cc1cc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cc(C)c1OCC(F)(F)F ZINC000054394319 1406718832 /nfs/dbraw/zinc/71/88/32/1406718832.db2.gz IKONKFUIJCWSIE-LJQANCHMSA-N 1 1 397.441 3.485 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000054443614 1406737685 /nfs/dbraw/zinc/73/76/85/1406737685.db2.gz UTGBENMINBVLFD-CALCHBBNSA-N 1 1 386.540 3.480 20 30 GGEDMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054868064 1406839672 /nfs/dbraw/zinc/83/96/72/1406839672.db2.gz YEHIYXHHRSIMKS-KNKQGSTJSA-N 1 1 382.552 3.149 20 30 GGEDMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054868064 1406839678 /nfs/dbraw/zinc/83/96/78/1406839678.db2.gz YEHIYXHHRSIMKS-KNKQGSTJSA-N 1 1 382.552 3.149 20 30 GGEDMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054868064 1406839684 /nfs/dbraw/zinc/83/96/84/1406839684.db2.gz YEHIYXHHRSIMKS-KNKQGSTJSA-N 1 1 382.552 3.149 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055031793 1406874031 /nfs/dbraw/zinc/87/40/31/1406874031.db2.gz RCWNKJUIXBTFOI-QGZVFWFLSA-N 1 1 397.523 3.004 20 30 GGEDMO CCOc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000055294201 1406923061 /nfs/dbraw/zinc/92/30/61/1406923061.db2.gz WQLHCIKKRRQPFW-UHFFFAOYSA-N 1 1 393.487 3.314 20 30 GGEDMO CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000055294201 1406923066 /nfs/dbraw/zinc/92/30/66/1406923066.db2.gz WQLHCIKKRRQPFW-UHFFFAOYSA-N 1 1 393.487 3.314 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCC5)CC2)cc1 ZINC000007981193 1398786487 /nfs/dbraw/zinc/78/64/87/1398786487.db2.gz IBUAVYWOWMKQQT-UHFFFAOYSA-N 1 1 375.501 3.374 20 30 GGEDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)Nc2sccc2C#N)c(C)c1 ZINC000008203331 1398813600 /nfs/dbraw/zinc/81/36/00/1398813600.db2.gz JTKHKPVARITYKK-UHFFFAOYSA-N 1 1 384.505 3.444 20 30 GGEDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)Nc2sccc2C#N)c(C)c1 ZINC000008203331 1398813601 /nfs/dbraw/zinc/81/36/01/1398813601.db2.gz JTKHKPVARITYKK-UHFFFAOYSA-N 1 1 384.505 3.444 20 30 GGEDMO C=CCOc1ccccc1CN(C(=O)C[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000015258541 1399147946 /nfs/dbraw/zinc/14/79/46/1399147946.db2.gz SZIMNSAFPMGJQI-UHFFFAOYSA-N 1 1 382.460 3.117 20 30 GGEDMO COc1ccc([C@@H](CNS(=O)(=O)c2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000016084746 1399207876 /nfs/dbraw/zinc/20/78/76/1399207876.db2.gz HYNBGCJCZSJCGO-OAQYLSRUSA-N 1 1 399.516 3.072 20 30 GGEDMO COc1ccccc1NC(=S)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000017517646 1399283959 /nfs/dbraw/zinc/28/39/59/1399283959.db2.gz CWRBBMXHKRGFKJ-UHFFFAOYSA-N 1 1 380.517 3.472 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000017517685 1399284470 /nfs/dbraw/zinc/28/44/70/1399284470.db2.gz DKOBVPSFAQTQOQ-UHFFFAOYSA-N 1 1 395.488 3.371 20 30 GGEDMO N#CCSc1ccccc1NC(=O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000019540311 1399332088 /nfs/dbraw/zinc/33/20/88/1399332088.db2.gz PAVRXPAGRAUYAD-UHFFFAOYSA-N 1 1 386.546 3.120 20 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/nfs/dbraw/zinc/68/86/10/1404688610.db2.gz GSOXNBMJRJUCAW-GOSISDBHSA-N 1 1 387.487 3.408 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(Cl)nc4ccccn43)CC2)cc1 ZINC000047297311 1404793327 /nfs/dbraw/zinc/79/33/27/1404793327.db2.gz IHCIUCAWAAJUDH-UHFFFAOYSA-N 1 1 393.878 3.207 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(Cl)nc4ccccn43)CC2)cc1 ZINC000047297311 1404793336 /nfs/dbraw/zinc/79/33/36/1404793336.db2.gz IHCIUCAWAAJUDH-UHFFFAOYSA-N 1 1 393.878 3.207 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000047718854 1404902418 /nfs/dbraw/zinc/90/24/18/1404902418.db2.gz HDWGKHLITDHIEM-IRXDYDNUSA-N 1 1 378.476 3.489 20 30 GGEDMO CCC[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccc(C#N)cc1 ZINC000047726361 1404905435 /nfs/dbraw/zinc/90/54/35/1404905435.db2.gz CVHWVVAYOCAGLS-UHFFFAOYSA-N 1 1 387.505 3.348 20 30 GGEDMO CCC[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccc(C#N)cc1 ZINC000047726361 1404905441 /nfs/dbraw/zinc/90/54/41/1404905441.db2.gz CVHWVVAYOCAGLS-UHFFFAOYSA-N 1 1 387.505 3.348 20 30 GGEDMO CCC[N@@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000047740227 1404913656 /nfs/dbraw/zinc/91/36/56/1404913656.db2.gz ZTRVGOZJSWXKAC-UHFFFAOYSA-N 1 1 395.503 3.446 20 30 GGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047798212 1404950333 /nfs/dbraw/zinc/95/03/33/1404950333.db2.gz YKUPPWWPKAEMRT-OAHLLOKOSA-N 1 1 376.447 3.449 20 30 GGEDMO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)n1cnc2ccccc21 ZINC000048121950 1405063718 /nfs/dbraw/zinc/06/37/18/1405063718.db2.gz NRSTXOCZGQZEKQ-SFHVURJKSA-N 1 1 387.487 3.203 20 30 GGEDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)n1cnc2ccccc21 ZINC000048121950 1405063731 /nfs/dbraw/zinc/06/37/31/1405063731.db2.gz NRSTXOCZGQZEKQ-SFHVURJKSA-N 1 1 387.487 3.203 20 30 GGEDMO C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000048140159 1405070154 /nfs/dbraw/zinc/07/01/54/1405070154.db2.gz ALRDYOKQWXQHLI-QGZVFWFLSA-N 1 1 379.529 3.354 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000048149637 1405075945 /nfs/dbraw/zinc/07/59/45/1405075945.db2.gz IUURLSCKBUUHIT-UHFFFAOYSA-N 1 1 392.503 3.261 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000048160413 1405079494 /nfs/dbraw/zinc/07/94/94/1405079494.db2.gz FOZUSZIJWAWSDB-HXUWFJFHSA-N 1 1 393.487 3.241 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000048160413 1405079504 /nfs/dbraw/zinc/07/95/04/1405079504.db2.gz FOZUSZIJWAWSDB-HXUWFJFHSA-N 1 1 393.487 3.241 20 30 GGEDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000048183034 1405089368 /nfs/dbraw/zinc/08/93/68/1405089368.db2.gz DHYAMBAMFTUIGO-KRWDZBQOSA-N 1 1 379.416 3.356 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)NCC#Cc2ccccc2)C[C@@H](C)O1 ZINC000048416070 1405184011 /nfs/dbraw/zinc/18/40/11/1405184011.db2.gz HDQQWSYGACOERC-WOJBJXKFSA-N 1 1 391.515 3.147 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)NCC#Cc2ccccc2)C[C@H](C)O1 ZINC000048416068 1405184212 /nfs/dbraw/zinc/18/42/12/1405184212.db2.gz HDQQWSYGACOERC-PMACEKPBSA-N 1 1 391.515 3.147 20 30 GGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(OCC#N)c3)CC2)cc1 ZINC000048516423 1405213621 /nfs/dbraw/zinc/21/36/21/1405213621.db2.gz GSLDUYIZRNLTMP-UHFFFAOYSA-N 1 1 394.475 3.337 20 30 GGEDMO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl ZINC000048833298 1405302505 /nfs/dbraw/zinc/30/25/05/1405302505.db2.gz ODPFZJVTQBVONA-LJQANCHMSA-N 1 1 398.894 3.349 20 30 GGEDMO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000048833401 1405302763 /nfs/dbraw/zinc/30/27/63/1405302763.db2.gz CRQFMJIDYOFRDZ-LJQANCHMSA-N 1 1 398.894 3.349 20 30 GGEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000048908251 1405319810 /nfs/dbraw/zinc/31/98/10/1405319810.db2.gz MQTFCUHVXSQFKK-IBGZPJMESA-N 1 1 396.878 3.103 20 30 GGEDMO N#Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000048908248 1405319931 /nfs/dbraw/zinc/31/99/31/1405319931.db2.gz 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CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000176347784 1428261360 /nfs/dbraw/zinc/26/13/60/1428261360.db2.gz HFJAKGQDUVNHBK-HXUWFJFHSA-N 1 1 394.519 3.322 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000058315755 1407810651 /nfs/dbraw/zinc/81/06/51/1407810651.db2.gz GPWGSEANFNLDJB-UHFFFAOYSA-N 1 1 389.908 3.155 20 30 GGEDMO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000058396994 1407822214 /nfs/dbraw/zinc/82/22/14/1407822214.db2.gz KBMRFOACSUBWBT-UHFFFAOYSA-N 1 1 395.503 3.444 20 30 GGEDMO CC(C)[N@@H+](CC(=O)NCCCN(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000058396940 1407822238 /nfs/dbraw/zinc/82/22/38/1407822238.db2.gz UESGBHIWLQRFRE-UHFFFAOYSA-N 1 1 378.520 3.411 20 30 GGEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)Nc3cc(C#N)ccc3C)cc2)CC1 ZINC000058452246 1407831324 /nfs/dbraw/zinc/83/13/24/1407831324.db2.gz LHBHQKBRWVDAFC-UHFFFAOYSA-N 1 1 391.519 3.326 20 30 GGEDMO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000058580510 1407847530 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ZINC000176377730 1428284786 /nfs/dbraw/zinc/28/47/86/1428284786.db2.gz DLYIFXVJUIREEL-MSOLQXFVSA-N 1 1 379.426 3.325 20 30 GGEDMO CCN(C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000176407307 1428306281 /nfs/dbraw/zinc/30/62/81/1428306281.db2.gz QIWRHSOAWASUNH-GOEBONIOSA-N 1 1 382.430 3.091 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000063403069 1408349679 /nfs/dbraw/zinc/34/96/79/1408349679.db2.gz HCLZVJBFPRKJKB-UHFFFAOYSA-N 1 1 386.459 3.345 20 30 GGEDMO Cc1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC2CCN(C)CC2)cc1 ZINC000063441485 1408354761 /nfs/dbraw/zinc/35/47/61/1408354761.db2.gz VBVWRLZFECXVFB-UHFFFAOYSA-O 1 1 386.516 3.044 20 30 GGEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)cc1 ZINC000063750725 1408401592 /nfs/dbraw/zinc/40/15/92/1408401592.db2.gz UYJATZDJURLDJX-UHFFFAOYSA-N 1 1 392.503 3.244 20 30 GGEDMO CC(C)[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063750710 1408401702 /nfs/dbraw/zinc/40/17/02/1408401702.db2.gz WAMUCOGLFQQQAN-UHFFFAOYSA-N 1 1 378.476 3.185 20 30 GGEDMO COc1cccc(C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]2CCCO2)c1 ZINC000064400543 1408545728 /nfs/dbraw/zinc/54/57/28/1408545728.db2.gz LNFAJDXQRQLEPR-NRFANRHFSA-N 1 1 399.535 3.361 20 30 GGEDMO COc1cccc(C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]2CCCO2)c1 ZINC000064400543 1408545736 /nfs/dbraw/zinc/54/57/36/1408545736.db2.gz LNFAJDXQRQLEPR-NRFANRHFSA-N 1 1 399.535 3.361 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCN(c3nccs3)CC2)c1C ZINC000064401535 1408546087 /nfs/dbraw/zinc/54/60/87/1408546087.db2.gz CULPHMRTFAJEEN-UHFFFAOYSA-N 1 1 397.548 3.219 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCN(c3nccs3)CC2)c1C ZINC000064401535 1408546092 /nfs/dbraw/zinc/54/60/92/1408546092.db2.gz CULPHMRTFAJEEN-UHFFFAOYSA-N 1 1 397.548 3.219 20 30 GGEDMO C=CCn1c(C)cc(C(O)=CONC(=[NH2+])c2ccc(N3CCCCC3)nc2)c1C ZINC000064430423 1408552673 /nfs/dbraw/zinc/55/26/73/1408552673.db2.gz NJRJZUCIDHRYKB-UHFFFAOYSA-N 1 1 395.507 3.196 20 30 GGEDMO Cn1cc(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000064458147 1408558666 /nfs/dbraw/zinc/55/86/66/1408558666.db2.gz SDXOGEYJWDACFJ-UHFFFAOYSA-N 1 1 386.499 3.327 20 30 GGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000064481772 1408564920 /nfs/dbraw/zinc/56/49/20/1408564920.db2.gz HOLPRGOVXSCPRP-QGZVFWFLSA-N 1 1 389.927 3.077 20 30 GGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000064481772 1408564931 /nfs/dbraw/zinc/56/49/31/1408564931.db2.gz HOLPRGOVXSCPRP-QGZVFWFLSA-N 1 1 389.927 3.077 20 30 GGEDMO C[C@H]1CN(c2ccc(NC(=O)C[N@H+](C)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000064556581 1408577075 /nfs/dbraw/zinc/57/70/75/1408577075.db2.gz DEWUIRSVQUKSPY-ROUUACIJSA-N 1 1 392.503 3.242 20 30 GGEDMO C[C@H]1CN(c2ccc(NC(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000064556581 1408577082 /nfs/dbraw/zinc/57/70/82/1408577082.db2.gz DEWUIRSVQUKSPY-ROUUACIJSA-N 1 1 392.503 3.242 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000064638634 1408589291 /nfs/dbraw/zinc/58/92/91/1408589291.db2.gz SBLMPQPMIOOLHB-SJLPKXTDSA-N 1 1 381.480 3.201 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000064638634 1408589300 /nfs/dbraw/zinc/58/93/00/1408589300.db2.gz SBLMPQPMIOOLHB-SJLPKXTDSA-N 1 1 381.480 3.201 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065964689 1408763964 /nfs/dbraw/zinc/76/39/64/1408763964.db2.gz PUBYVTMGFKKLPH-MRXNPFEDSA-N 1 1 382.508 3.046 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000066422758 1408835618 /nfs/dbraw/zinc/83/56/18/1408835618.db2.gz KMXBFMLGJQNCOK-KRWDZBQOSA-N 1 1 399.514 3.099 20 30 GGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000066675725 1408882093 /nfs/dbraw/zinc/88/20/93/1408882093.db2.gz YLOBJGJRKNLHHR-UHFFFAOYSA-N 1 1 376.504 3.341 20 30 GGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000066676487 1408882825 /nfs/dbraw/zinc/88/28/25/1408882825.db2.gz PDDPSRKTBSSTNG-UHFFFAOYSA-N 1 1 377.488 3.308 20 30 GGEDMO CC(C)CNC(=O)c1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000066831107 1408923744 /nfs/dbraw/zinc/92/37/44/1408923744.db2.gz WBYRYDRFKPMWGG-UHFFFAOYSA-N 1 1 376.504 3.266 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831551 1408924344 /nfs/dbraw/zinc/92/43/44/1408924344.db2.gz VFUBKUBPAJOWMH-ZHRRBRCNSA-N 1 1 394.523 3.094 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831550 1408924822 /nfs/dbraw/zinc/92/48/22/1408924822.db2.gz VFUBKUBPAJOWMH-OPAMFIHVSA-N 1 1 394.523 3.094 20 30 GGEDMO Cc1cnc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000176553813 1428361855 /nfs/dbraw/zinc/36/18/55/1428361855.db2.gz IKAPPYIDVFTQTF-MRXNPFEDSA-N 1 1 383.521 3.302 20 30 GGEDMO C[N@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000066920097 1408951656 /nfs/dbraw/zinc/95/16/56/1408951656.db2.gz JOGCBCDWRINZJK-UHFFFAOYSA-N 1 1 383.517 3.091 20 30 GGEDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066953435 1408962495 /nfs/dbraw/zinc/96/24/95/1408962495.db2.gz ZYGBNAFZXGLICM-UHFFFAOYSA-N 1 1 382.464 3.440 20 30 GGEDMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066984551 1408971746 /nfs/dbraw/zinc/97/17/46/1408971746.db2.gz OIGIMHRFNUFXRM-UHFFFAOYSA-N 1 1 394.475 3.136 20 30 GGEDMO C[C@@H](CNC(=O)c1cccc(SCC#N)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000176573968 1428368003 /nfs/dbraw/zinc/36/80/03/1428368003.db2.gz NANDOXSFUVACIA-SFHVURJKSA-N 1 1 394.544 3.243 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)NCc2ccc(OCC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000176577424 1428368943 /nfs/dbraw/zinc/36/89/43/1428368943.db2.gz MTPVFCINBXZUOW-PXNSSMCTSA-N 1 1 378.476 3.051 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnc(-c4ccccc4)nc3)CC2)cc1 ZINC000067288097 1409064965 /nfs/dbraw/zinc/06/49/65/1409064965.db2.gz GZBFGSWVOYHILL-UHFFFAOYSA-N 1 1 397.482 3.363 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnc(-c4ccccc4)nc3)CC2)cc1 ZINC000067288097 1409064969 /nfs/dbraw/zinc/06/49/69/1409064969.db2.gz GZBFGSWVOYHILL-UHFFFAOYSA-N 1 1 397.482 3.363 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000067320436 1409071815 /nfs/dbraw/zinc/07/18/15/1409071815.db2.gz QUVYDGAHRJVMPC-OAQYLSRUSA-N 1 1 395.503 3.182 20 30 GGEDMO C=CCOc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000067321774 1409072450 /nfs/dbraw/zinc/07/24/50/1409072450.db2.gz CQWHJIZOGFFEGQ-LJQANCHMSA-N 1 1 397.475 3.126 20 30 GGEDMO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000067404925 1409104570 /nfs/dbraw/zinc/10/45/70/1409104570.db2.gz CTAOQONCKHFEGE-FQEVSTJZSA-N 1 1 375.538 3.022 20 30 GGEDMO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)OCC ZINC000067410193 1409106547 /nfs/dbraw/zinc/10/65/47/1409106547.db2.gz ZSHHKYDKRICUQJ-UHFFFAOYSA-N 1 1 377.510 3.102 20 30 GGEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)OCC ZINC000067410193 1409106554 /nfs/dbraw/zinc/10/65/54/1409106554.db2.gz ZSHHKYDKRICUQJ-UHFFFAOYSA-N 1 1 377.510 3.102 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000067565852 1409166260 /nfs/dbraw/zinc/16/62/60/1409166260.db2.gz ATPPWNJKVIGEFS-FCHUYYIVSA-N 1 1 392.478 3.471 20 30 GGEDMO C[N@H+](CCCOc1ccccc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000067716551 1409214081 /nfs/dbraw/zinc/21/40/81/1409214081.db2.gz CDEOBNQFSMDMPM-UHFFFAOYSA-N 1 1 389.459 3.083 20 30 GGEDMO C[N@@H+](CCCOc1ccccc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000067716551 1409214085 /nfs/dbraw/zinc/21/40/85/1409214085.db2.gz CDEOBNQFSMDMPM-UHFFFAOYSA-N 1 1 389.459 3.083 20 30 GGEDMO N#CCOc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000067925889 1409256807 /nfs/dbraw/zinc/25/68/07/1409256807.db2.gz OMFJOTJETOPFAZ-IBGZPJMESA-N 1 1 381.451 3.256 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc(OCC#N)cc3)cc2)C[C@@H](C)O1 ZINC000067928957 1409257971 /nfs/dbraw/zinc/25/79/71/1409257971.db2.gz PRBQPPBGIOSLJQ-QZTJIDSGSA-N 1 1 393.487 3.128 20 30 GGEDMO CCc1ccc(C(=O)C(C(=S)NC2CCN(C)CC2)[n+]2cccc(C)c2)cc1 ZINC000067952258 1409263174 /nfs/dbraw/zinc/26/31/74/1409263174.db2.gz GQLMCDAQCUEUMS-UHFFFAOYSA-O 1 1 396.580 3.468 20 30 GGEDMO C=CCN(CCc1ccccc1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000068466356 1409410888 /nfs/dbraw/zinc/41/08/88/1409410888.db2.gz MGYIKIMSTFSFRR-UHFFFAOYSA-N 1 1 377.532 3.305 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000068857698 1409508964 /nfs/dbraw/zinc/50/89/64/1409508964.db2.gz LMJTXSSEBXJHNE-HXUWFJFHSA-N 1 1 377.444 3.095 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000068857698 1409508968 /nfs/dbraw/zinc/50/89/68/1409508968.db2.gz LMJTXSSEBXJHNE-HXUWFJFHSA-N 1 1 377.444 3.095 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNS(=O)(=O)CCCCC#N)C1 ZINC000068881531 1409514891 /nfs/dbraw/zinc/51/48/91/1409514891.db2.gz JTKGAPHPGXJSGY-HDICACEKSA-N 1 1 377.554 3.278 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000068885015 1409515708 /nfs/dbraw/zinc/51/57/08/1409515708.db2.gz KGAHYXAUMSGLAY-UHFFFAOYSA-N 1 1 380.517 3.376 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000068885015 1409515712 /nfs/dbraw/zinc/51/57/12/1409515712.db2.gz KGAHYXAUMSGLAY-UHFFFAOYSA-N 1 1 380.517 3.376 20 30 GGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016528 1409544435 /nfs/dbraw/zinc/54/44/35/1409544435.db2.gz JGOYWVDGZWVMRO-IBGZPJMESA-N 1 1 386.540 3.253 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c(OC)c1 ZINC000069030745 1409547408 /nfs/dbraw/zinc/54/74/08/1409547408.db2.gz ZVNQJEFNTXAPIJ-NHCUHLMSSA-N 1 1 388.552 3.114 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2CN2CCCCC2)c(OC)c1 ZINC000069030745 1409547411 /nfs/dbraw/zinc/54/74/11/1409547411.db2.gz ZVNQJEFNTXAPIJ-NHCUHLMSSA-N 1 1 388.552 3.114 20 30 GGEDMO CN1CCN(C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccccc2)CC1 ZINC000069170980 1409580193 /nfs/dbraw/zinc/58/01/93/1409580193.db2.gz GCBKNNBDCCNSGQ-XMMPIXPASA-N 1 1 392.547 3.447 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(OCC#N)cc2)cc1F ZINC000069288038 1409605217 /nfs/dbraw/zinc/60/52/17/1409605217.db2.gz KHLHNXFXUWOENW-UHFFFAOYSA-N 1 1 393.422 3.222 20 30 GGEDMO N#CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000069306777 1409611430 /nfs/dbraw/zinc/61/14/30/1409611430.db2.gz FSXPEZONOBJBOB-SFHVURJKSA-N 1 1 398.532 3.362 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176721564 1428433790 /nfs/dbraw/zinc/43/37/90/1428433790.db2.gz KKIIEPNPKNVVNY-PXNSSMCTSA-N 1 1 393.487 3.115 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176721525 1428434041 /nfs/dbraw/zinc/43/40/41/1428434041.db2.gz KKIIEPNPKNVVNY-YLJYHZDGSA-N 1 1 393.487 3.115 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)cc1 ZINC000072074062 1409845913 /nfs/dbraw/zinc/84/59/13/1409845913.db2.gz 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3.110 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102401076 1410621906 /nfs/dbraw/zinc/62/19/06/1410621906.db2.gz TWEZKMGXQBXGLO-KKSFZXQISA-N 1 1 399.470 3.110 20 30 GGEDMO COCCC[N@H+]1Cc2cccc(N[C@H](C)C(=O)Nc3cccc(C#N)c3)c2C1 ZINC000102779380 1410748804 /nfs/dbraw/zinc/74/88/04/1410748804.db2.gz URNSGVKYKOUZQT-MRXNPFEDSA-N 1 1 378.476 3.349 20 30 GGEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H](C)O1 ZINC000102802697 1410767028 /nfs/dbraw/zinc/76/70/28/1410767028.db2.gz BSFAYCLLFYDCOJ-CHWSQXEVSA-N 1 1 396.438 3.169 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)CC1 ZINC000102867370 1410802676 /nfs/dbraw/zinc/80/26/76/1410802676.db2.gz OKXAKNLMQWDFMS-UHFFFAOYSA-N 1 1 399.878 3.275 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931670 1410809453 /nfs/dbraw/zinc/80/94/53/1410809453.db2.gz QVHCWOZDBVDDGX-UHFFFAOYSA-N 1 1 398.894 3.374 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931670 1410809454 /nfs/dbraw/zinc/80/94/54/1410809454.db2.gz QVHCWOZDBVDDGX-UHFFFAOYSA-N 1 1 398.894 3.374 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000104354460 1410893225 /nfs/dbraw/zinc/89/32/25/1410893225.db2.gz RNADCPFFBGBOJY-HXUWFJFHSA-N 1 1 399.535 3.200 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000104654260 1410918938 /nfs/dbraw/zinc/91/89/38/1410918938.db2.gz QXBWJLAQXIAYRB-UHFFFAOYSA-N 1 1 377.404 3.317 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)c1 ZINC000104712387 1410935446 /nfs/dbraw/zinc/93/54/46/1410935446.db2.gz WCFNUNYKOAGMMV-MRXNPFEDSA-N 1 1 395.425 3.202 20 30 GGEDMO C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713238 1410935475 /nfs/dbraw/zinc/93/54/75/1410935475.db2.gz NDJVQRMBLLAKQB-MRXNPFEDSA-N 1 1 381.451 3.245 20 30 GGEDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104714004 1410937468 /nfs/dbraw/zinc/93/74/68/1410937468.db2.gz KACGZCRFGDHXAV-INIZCTEOSA-N 1 1 379.460 3.437 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Oc4cccc(C#N)c4)CC3)C2=O)cc1 ZINC000104713653 1410937946 /nfs/dbraw/zinc/93/79/46/1410937946.db2.gz FLMMERBVRBJWMD-JOCHJYFZSA-N 1 1 386.455 3.079 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)N[C@@H]3CCOc4ccccc43)CC2)c1 ZINC000104714169 1410938033 /nfs/dbraw/zinc/93/80/33/1410938033.db2.gz YIVCMWRJLOUBPK-OAQYLSRUSA-N 1 1 391.471 3.041 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)NCc3cccc(Cl)c3)CC2)c1 ZINC000104714789 1410938087 /nfs/dbraw/zinc/93/80/87/1410938087.db2.gz QCWVRBUDNMOQBL-UHFFFAOYSA-N 1 1 383.879 3.371 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)NCC3(c4ccccc4)CC3)CC2)c1 ZINC000104713320 1410939150 /nfs/dbraw/zinc/93/91/50/1410939150.db2.gz JUMVOAKHCNOFGN-UHFFFAOYSA-N 1 1 389.499 3.249 20 30 GGEDMO COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714770 1410939252 /nfs/dbraw/zinc/93/92/52/1410939252.db2.gz BQCTUGMRUZAFPU-QGZVFWFLSA-N 1 1 393.487 3.287 20 30 GGEDMO C=CCSc1ccccc1NC(=O)CN1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104718718 1410943305 /nfs/dbraw/zinc/94/33/05/1410943305.db2.gz IQRIEVNZINOQAB-UHFFFAOYSA-N 1 1 398.532 3.129 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000176935793 1428525175 /nfs/dbraw/zinc/52/51/75/1428525175.db2.gz CSSMOZWYSBGCNQ-UHFFFAOYSA-N 1 1 393.491 3.018 20 30 GGEDMO C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963350 1411004812 /nfs/dbraw/zinc/00/48/12/1411004812.db2.gz MAUSMLCMAYVACY-GOSISDBHSA-N 1 1 377.488 3.149 20 30 GGEDMO N#Cc1cc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1OCC(F)(F)F ZINC000104999348 1411010846 /nfs/dbraw/zinc/01/08/46/1411010846.db2.gz RYRVKMVDZRLUNW-HNNXBMFYSA-N 1 1 382.386 3.201 20 30 GGEDMO COCC[NH+]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000105016801 1411014717 /nfs/dbraw/zinc/01/47/17/1411014717.db2.gz WZDNXBAOBXSNKA-UHFFFAOYSA-N 1 1 380.448 3.146 20 30 GGEDMO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000105077477 1411025087 /nfs/dbraw/zinc/02/50/87/1411025087.db2.gz ABWMUYNLCSENNS-LJQANCHMSA-N 1 1 382.464 3.007 20 30 GGEDMO C[N@@H+](CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1CCCC1 ZINC000105294005 1411051060 /nfs/dbraw/zinc/05/10/60/1411051060.db2.gz KKEUKPDBDDTDOF-UHFFFAOYSA-N 1 1 384.402 3.495 20 30 GGEDMO CC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000105359169 1411057956 /nfs/dbraw/zinc/05/79/56/1411057956.db2.gz YHQVYVINMDKOHA-UHFFFAOYSA-N 1 1 378.432 3.381 20 30 GGEDMO CC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000105359169 1411057961 /nfs/dbraw/zinc/05/79/61/1411057961.db2.gz YHQVYVINMDKOHA-UHFFFAOYSA-N 1 1 378.432 3.381 20 30 GGEDMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000105578678 1411087063 /nfs/dbraw/zinc/08/70/63/1411087063.db2.gz ISOVRUGUIQLSHH-URFJDIBFSA-N 1 1 396.579 3.395 20 30 GGEDMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000105578678 1411087073 /nfs/dbraw/zinc/08/70/73/1411087073.db2.gz ISOVRUGUIQLSHH-URFJDIBFSA-N 1 1 396.579 3.395 20 30 GGEDMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000105578678 1411087082 /nfs/dbraw/zinc/08/70/82/1411087082.db2.gz ISOVRUGUIQLSHH-URFJDIBFSA-N 1 1 396.579 3.395 20 30 GGEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000176984258 1428540993 /nfs/dbraw/zinc/54/09/93/1428540993.db2.gz XWFNLGVCYKLLLX-OAHLLOKOSA-N 1 1 377.416 3.458 20 30 GGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000176984258 1428540996 /nfs/dbraw/zinc/54/09/96/1428540996.db2.gz XWFNLGVCYKLLLX-OAHLLOKOSA-N 1 1 377.416 3.458 20 30 GGEDMO CCN1CC[NH+]([C@H]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C2)CC1 ZINC000106479613 1411224548 /nfs/dbraw/zinc/22/45/48/1411224548.db2.gz IEXXSVCLNAEXCF-HNNXBMFYSA-N 1 1 387.890 3.115 20 30 GGEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106524442 1411231324 /nfs/dbraw/zinc/23/13/24/1411231324.db2.gz HLLVUAOSKYJINF-QGZVFWFLSA-N 1 1 379.426 3.373 20 30 GGEDMO N#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000107439022 1411377937 /nfs/dbraw/zinc/37/79/37/1411377937.db2.gz XSLDQPYIIUYROA-UHFFFAOYSA-N 1 1 388.393 3.320 20 30 GGEDMO N#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000107439022 1411377944 /nfs/dbraw/zinc/37/79/44/1411377944.db2.gz XSLDQPYIIUYROA-UHFFFAOYSA-N 1 1 388.393 3.320 20 30 GGEDMO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nc1 ZINC000107584233 1411390182 /nfs/dbraw/zinc/39/01/82/1411390182.db2.gz PGLMNSRGBRXBES-UHFFFAOYSA-N 1 1 387.443 3.003 20 30 GGEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1C ZINC000108328533 1411474182 /nfs/dbraw/zinc/47/41/82/1411474182.db2.gz RMUQZDHOXNCATM-GOSISDBHSA-N 1 1 379.508 3.152 20 30 GGEDMO C[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000108358619 1411479674 /nfs/dbraw/zinc/47/96/74/1411479674.db2.gz NFPFEWWAMNNXBB-FQEVSTJZSA-N 1 1 376.485 3.352 20 30 GGEDMO C[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000108358619 1411479691 /nfs/dbraw/zinc/47/96/91/1411479691.db2.gz NFPFEWWAMNNXBB-FQEVSTJZSA-N 1 1 376.485 3.352 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC([C@@H](O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000108386693 1411485475 /nfs/dbraw/zinc/48/54/75/1411485475.db2.gz BLKVYKNGUBWBTF-VXKWHMMOSA-N 1 1 393.462 3.248 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108388622 1411486511 /nfs/dbraw/zinc/48/65/11/1411486511.db2.gz NFTANARFCHOXMQ-BTYIYWSLSA-N 1 1 381.451 3.470 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108388296 1411486614 /nfs/dbraw/zinc/48/66/14/1411486614.db2.gz KRBCTCXSRIVVPE-OXJNMPFZSA-N 1 1 387.499 3.302 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108388299 1411487105 /nfs/dbraw/zinc/48/71/05/1411487105.db2.gz KRBCTCXSRIVVPE-OXQOHEQNSA-N 1 1 387.499 3.302 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108388627 1411487128 /nfs/dbraw/zinc/48/71/28/1411487128.db2.gz NFTANARFCHOXMQ-VFNWGFHPSA-N 1 1 381.451 3.470 20 30 GGEDMO C#CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000108522714 1411528445 /nfs/dbraw/zinc/52/84/45/1411528445.db2.gz PXQJKQUHBNBYMZ-UHFFFAOYSA-N 1 1 388.471 3.310 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C[N@H+]1C1CC1 ZINC000177069936 1428576663 /nfs/dbraw/zinc/57/66/63/1428576663.db2.gz YZVWROGUSYPXJU-OXQOHEQNSA-N 1 1 375.472 3.492 20 30 GGEDMO N#Cc1ccccc1OCC[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000108715262 1411582950 /nfs/dbraw/zinc/58/29/50/1411582950.db2.gz IFSOERSWPWQHND-UHFFFAOYSA-N 1 1 385.895 3.287 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[N@H+]1C1CC1 ZINC000177076280 1428579983 /nfs/dbraw/zinc/57/99/83/1428579983.db2.gz BSIHSUPWMLTYFQ-OXQOHEQNSA-N 1 1 375.472 3.492 20 30 GGEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CC(=O)NCC#N)cc1C ZINC000108851368 1411625745 /nfs/dbraw/zinc/62/57/45/1411625745.db2.gz OUPWPBABNWJCHG-UHFFFAOYSA-N 1 1 387.487 3.228 20 30 GGEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CC(=O)NCC#N)cc1C ZINC000108851368 1411625751 /nfs/dbraw/zinc/62/57/51/1411625751.db2.gz OUPWPBABNWJCHG-UHFFFAOYSA-N 1 1 387.487 3.228 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000109028542 1411665820 /nfs/dbraw/zinc/66/58/20/1411665820.db2.gz NZYUNQJFCGXICQ-MRXNPFEDSA-N 1 1 389.569 3.228 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@H+](CCCO)C(c1ccccc1)c1ccccc1)C1CC1 ZINC000109132155 1411691492 /nfs/dbraw/zinc/69/14/92/1411691492.db2.gz OIGIZWOEMHGEFV-XMMPIXPASA-N 1 1 391.515 3.269 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1)C1CC1 ZINC000109132155 1411691497 /nfs/dbraw/zinc/69/14/97/1411691497.db2.gz OIGIZWOEMHGEFV-XMMPIXPASA-N 1 1 391.515 3.269 20 30 GGEDMO C[NH+](C)[C@@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000109304108 1411736888 /nfs/dbraw/zinc/73/68/88/1411736888.db2.gz QNDFVWCPDLVCGA-GHTZIAJQSA-N 1 1 380.467 3.085 20 30 GGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000109356241 1411747160 /nfs/dbraw/zinc/74/71/60/1411747160.db2.gz FYTRBAIGMJLNHD-UHFFFAOYSA-N 1 1 393.531 3.397 20 30 GGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000109356241 1411747164 /nfs/dbraw/zinc/74/71/64/1411747164.db2.gz FYTRBAIGMJLNHD-UHFFFAOYSA-N 1 1 393.531 3.397 20 30 GGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000109356155 1411747246 /nfs/dbraw/zinc/74/72/46/1411747246.db2.gz PFEDZJKORZVQBS-UHFFFAOYSA-N 1 1 393.531 3.075 20 30 GGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000109356155 1411747253 /nfs/dbraw/zinc/74/72/53/1411747253.db2.gz PFEDZJKORZVQBS-UHFFFAOYSA-N 1 1 393.531 3.075 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccc(C#N)cc1 ZINC000109404863 1411755710 /nfs/dbraw/zinc/75/57/10/1411755710.db2.gz FFNNSHSXTHSZJY-UHFFFAOYSA-N 1 1 394.494 3.257 20 30 GGEDMO CC(C)[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(C#N)cc1 ZINC000109405380 1411755790 /nfs/dbraw/zinc/75/57/90/1411755790.db2.gz KOHVCXRMYCRRQU-UHFFFAOYSA-N 1 1 390.487 3.300 20 30 GGEDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(C#N)cc1 ZINC000109405380 1411755798 /nfs/dbraw/zinc/75/57/98/1411755798.db2.gz KOHVCXRMYCRRQU-UHFFFAOYSA-N 1 1 390.487 3.300 20 30 GGEDMO COCCC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000109763551 1411808404 /nfs/dbraw/zinc/80/84/04/1411808404.db2.gz KYUHRPRMZANKMS-OAQYLSRUSA-N 1 1 398.528 3.251 20 30 GGEDMO COCCC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000109763551 1411808406 /nfs/dbraw/zinc/80/84/06/1411808406.db2.gz KYUHRPRMZANKMS-OAQYLSRUSA-N 1 1 398.528 3.251 20 30 GGEDMO C=CCOc1ccc(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000109854571 1411814722 /nfs/dbraw/zinc/81/47/22/1411814722.db2.gz BPNABOINNUHWOW-IBGZPJMESA-N 1 1 393.487 3.201 20 30 GGEDMO COc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000110036471 1411826822 /nfs/dbraw/zinc/82/68/22/1411826822.db2.gz LXYDXNWYXFVNBH-MRXNPFEDSA-N 1 1 378.476 3.470 20 30 GGEDMO COc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000110036468 1411826843 /nfs/dbraw/zinc/82/68/43/1411826843.db2.gz LXYDXNWYXFVNBH-INIZCTEOSA-N 1 1 378.476 3.470 20 30 GGEDMO COc1cccc(NC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000110036481 1411826858 /nfs/dbraw/zinc/82/68/58/1411826858.db2.gz KUMGYVXLDKXBNL-KRWDZBQOSA-N 1 1 384.524 3.303 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000177138284 1428599586 /nfs/dbraw/zinc/59/95/86/1428599586.db2.gz QOTBWVYJOIBREH-IBGZPJMESA-N 1 1 383.879 3.484 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000177138284 1428599591 /nfs/dbraw/zinc/59/95/91/1428599591.db2.gz QOTBWVYJOIBREH-IBGZPJMESA-N 1 1 383.879 3.484 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[N@H+]1C1CC1 ZINC000177138412 1428599815 /nfs/dbraw/zinc/59/98/15/1428599815.db2.gz MRPCVSNNBBDUDQ-UZLBHIALSA-N 1 1 375.472 3.492 20 30 GGEDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000110180976 1411835734 /nfs/dbraw/zinc/83/57/34/1411835734.db2.gz KPGAMHQBKQGHAX-KKXDTOCCSA-N 1 1 389.883 3.346 20 30 GGEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000110189008 1411836216 /nfs/dbraw/zinc/83/62/16/1411836216.db2.gz OSOHQXJJZNETCC-QZTJIDSGSA-N 1 1 387.524 3.111 20 30 GGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000110196295 1411836733 /nfs/dbraw/zinc/83/67/33/1411836733.db2.gz OSPRTGHXRHZXJE-HXUWFJFHSA-N 1 1 391.515 3.493 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000110274962 1411841897 /nfs/dbraw/zinc/84/18/97/1411841897.db2.gz MTQYXMLFPCGIAP-SFHVURJKSA-N 1 1 394.519 3.366 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000110274962 1411841899 /nfs/dbraw/zinc/84/18/99/1411841899.db2.gz MTQYXMLFPCGIAP-SFHVURJKSA-N 1 1 394.519 3.366 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110851601 1411873402 /nfs/dbraw/zinc/87/34/02/1411873402.db2.gz ZFTZZWGIEMVPAW-OAQYLSRUSA-N 1 1 392.503 3.040 20 30 GGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000110975272 1411880208 /nfs/dbraw/zinc/88/02/08/1411880208.db2.gz QVIFCEGTJHCXFG-CQSZACIVSA-N 1 1 390.915 3.167 20 30 GGEDMO C[C@H](CN1CCOCC1)[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000111054402 1411884628 /nfs/dbraw/zinc/88/46/28/1411884628.db2.gz DSNKZRFKPUZLRC-HXUWFJFHSA-N 1 1 379.504 3.160 20 30 GGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1C#N ZINC000111219866 1411896182 /nfs/dbraw/zinc/89/61/82/1411896182.db2.gz BSOFGRBJDBMTOR-WMLDXEAASA-N 1 1 399.539 3.006 20 30 GGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1C#N ZINC000111219866 1411896184 /nfs/dbraw/zinc/89/61/84/1411896184.db2.gz BSOFGRBJDBMTOR-WMLDXEAASA-N 1 1 399.539 3.006 20 30 GGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1C#N ZINC000111219868 1411896268 /nfs/dbraw/zinc/89/62/68/1411896268.db2.gz BSOFGRBJDBMTOR-YOEHRIQHSA-N 1 1 399.539 3.006 20 30 GGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1C#N ZINC000111219868 1411896269 /nfs/dbraw/zinc/89/62/69/1411896269.db2.gz BSOFGRBJDBMTOR-YOEHRIQHSA-N 1 1 399.539 3.006 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000111292321 1411900915 /nfs/dbraw/zinc/90/09/15/1411900915.db2.gz MGJNPMGGWHFRHI-PMACEKPBSA-N 1 1 396.535 3.025 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000111292321 1411900946 /nfs/dbraw/zinc/90/09/46/1411900946.db2.gz MGJNPMGGWHFRHI-PMACEKPBSA-N 1 1 396.535 3.025 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)N(C)Cc3ccc(C#N)cc3)CC2)oc1C ZINC000111536467 1411988586 /nfs/dbraw/zinc/98/85/86/1411988586.db2.gz UKVLBBFTSXZEFZ-UHFFFAOYSA-N 1 1 395.507 3.217 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)oc1C ZINC000111536250 1411988955 /nfs/dbraw/zinc/98/89/55/1411988955.db2.gz DCQGFDWQMDJHGA-INIZCTEOSA-N 1 1 395.507 3.436 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)N(C)Cc3cccc(C#N)c3)CC2)oc1C ZINC000111535772 1411989291 /nfs/dbraw/zinc/98/92/91/1411989291.db2.gz GCIUNJKPLAMGAS-UHFFFAOYSA-N 1 1 395.507 3.217 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[N@H+]1C1CC1 ZINC000177172400 1428613198 /nfs/dbraw/zinc/61/31/98/1428613198.db2.gz WJUOLDXOTIDXLS-UZLBHIALSA-N 1 1 375.472 3.492 20 30 GGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000177174318 1428613652 /nfs/dbraw/zinc/61/36/52/1428613652.db2.gz RNDDJLCIVSMTCX-UNMCSNQZSA-N 1 1 377.488 3.226 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000111644856 1412007596 /nfs/dbraw/zinc/00/75/96/1412007596.db2.gz XODCAQIVVKUNBJ-QFIPXVFZSA-N 1 1 380.488 3.066 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000111731484 1412019914 /nfs/dbraw/zinc/01/99/14/1412019914.db2.gz CFFHYAYQZSWVFC-QGZVFWFLSA-N 1 1 380.492 3.244 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000111733325 1412020317 /nfs/dbraw/zinc/02/03/17/1412020317.db2.gz CXXBFYZQDQZWLD-UHFFFAOYSA-N 1 1 395.503 3.448 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(F)c(C#N)c3)CC2)oc1C ZINC000111756650 1412024861 /nfs/dbraw/zinc/02/48/61/1412024861.db2.gz GLJWUVBTRSSUAU-UHFFFAOYSA-N 1 1 385.443 3.336 20 30 GGEDMO CCOCC[NH+]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000111766853 1412027031 /nfs/dbraw/zinc/02/70/31/1412027031.db2.gz MBAGMGLBKDJXPV-MRXNPFEDSA-N 1 1 376.526 3.267 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000111766892 1412027136 /nfs/dbraw/zinc/02/71/36/1412027136.db2.gz OMSNRENJCQRZBC-KRWDZBQOSA-N 1 1 389.569 3.230 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000111766893 1412027439 /nfs/dbraw/zinc/02/74/39/1412027439.db2.gz OMSNRENJCQRZBC-QGZVFWFLSA-N 1 1 389.569 3.230 20 30 GGEDMO N#Cc1ccccc1OC1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000111825033 1412034923 /nfs/dbraw/zinc/03/49/23/1412034923.db2.gz ZCCDBFALZBZFHN-PPDQVPDSSA-N 1 1 382.508 3.032 20 30 GGEDMO Cn1c(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)nc2ccccc21 ZINC000177197478 1428626451 /nfs/dbraw/zinc/62/64/51/1428626451.db2.gz RJFGKPPUMSJCDV-UHFFFAOYSA-N 1 1 393.516 3.456 20 30 GGEDMO Cn1c(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)nc2ccccc21 ZINC000177197478 1428626454 /nfs/dbraw/zinc/62/64/54/1428626454.db2.gz RJFGKPPUMSJCDV-UHFFFAOYSA-N 1 1 393.516 3.456 20 30 GGEDMO CCOC(=O)CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC1CC1 ZINC000112544423 1412166270 /nfs/dbraw/zinc/16/62/70/1412166270.db2.gz YWHFEGLKUIKKEG-UHFFFAOYSA-N 1 1 389.521 3.102 20 30 GGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000112543125 1412166295 /nfs/dbraw/zinc/16/62/95/1412166295.db2.gz DHFIPOKYWQKRBC-HSZRJFAPSA-N 1 1 389.499 3.439 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000112585943 1412172537 /nfs/dbraw/zinc/17/25/37/1412172537.db2.gz HTQAMGBWGHXBOV-IBGZPJMESA-N 1 1 396.878 3.278 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2CCO)c1C#N ZINC000112582921 1412172973 /nfs/dbraw/zinc/17/29/73/1412172973.db2.gz QMGKDOUCNPEINK-GOSISDBHSA-N 1 1 398.482 3.280 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCCC[C@@H]2CCO)c1C#N ZINC000112582921 1412172979 /nfs/dbraw/zinc/17/29/79/1412172979.db2.gz QMGKDOUCNPEINK-GOSISDBHSA-N 1 1 398.482 3.280 20 30 GGEDMO COC(=O)Nc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000112857684 1412225769 /nfs/dbraw/zinc/22/57/69/1412225769.db2.gz URRULLJZMOWQFO-UHFFFAOYSA-N 1 1 392.459 3.085 20 30 GGEDMO COC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000112857684 1412225771 /nfs/dbraw/zinc/22/57/71/1412225771.db2.gz URRULLJZMOWQFO-UHFFFAOYSA-N 1 1 392.459 3.085 20 30 GGEDMO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000112976273 1412249173 /nfs/dbraw/zinc/24/91/73/1412249173.db2.gz KEACAWGTKNCSSB-QGZVFWFLSA-N 1 1 388.475 3.272 20 30 GGEDMO CC[C@H](C#N)Oc1cc(CNC(=O)C[N@H+](C)Cc2ccccc2)ccc1OC ZINC000113211702 1412276563 /nfs/dbraw/zinc/27/65/63/1412276563.db2.gz WWNJLTFAJNETAV-LJQANCHMSA-N 1 1 381.476 3.124 20 30 GGEDMO CC[C@H](C#N)Oc1cc(CNC(=O)C[N@@H+](C)Cc2ccccc2)ccc1OC ZINC000113211702 1412276565 /nfs/dbraw/zinc/27/65/65/1412276565.db2.gz WWNJLTFAJNETAV-LJQANCHMSA-N 1 1 381.476 3.124 20 30 GGEDMO N#CCCn1cc(C[NH2+]Cc2nncn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000113321045 1412292394 /nfs/dbraw/zinc/29/23/94/1412292394.db2.gz YAYWVTLTIXVIAK-UHFFFAOYSA-N 1 1 383.459 3.334 20 30 GGEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2nccn2CC(F)(F)F)ccc1OC ZINC000113347723 1412296487 /nfs/dbraw/zinc/29/64/87/1412296487.db2.gz LNJFTBZCXNEIRA-CQSZACIVSA-N 1 1 382.386 3.425 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1cccc(OCC#N)c1 ZINC000113392229 1412302866 /nfs/dbraw/zinc/30/28/66/1412302866.db2.gz RINZNPZTLJIAIO-GOSISDBHSA-N 1 1 378.476 3.005 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1cccc(OCC#N)c1 ZINC000113392229 1412302871 /nfs/dbraw/zinc/30/28/71/1412302871.db2.gz RINZNPZTLJIAIO-GOSISDBHSA-N 1 1 378.476 3.005 20 30 GGEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)NCC[N@@H+](C)C2CCCC2)ccc1OC ZINC000113617220 1412322199 /nfs/dbraw/zinc/32/21/99/1412322199.db2.gz QIHJLTZPPZDNAH-SFHVURJKSA-N 1 1 388.512 3.050 20 30 GGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000113646087 1412328617 /nfs/dbraw/zinc/32/86/17/1412328617.db2.gz OOFLXCCEVYQILG-MRXNPFEDSA-N 1 1 388.537 3.012 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113901355 1412347957 /nfs/dbraw/zinc/34/79/57/1412347957.db2.gz DWHLQVGHMHDRTF-HKUYNNGSSA-N 1 1 385.508 3.059 20 30 GGEDMO C[NH+](C)C1(CNCc2cccc(OCc3ccccc3C#N)c2)CCOCC1 ZINC000113960077 1412359428 /nfs/dbraw/zinc/35/94/28/1412359428.db2.gz MRCJGSMUGYHJCE-UHFFFAOYSA-N 1 1 379.504 3.338 20 30 GGEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000113966577 1412359992 /nfs/dbraw/zinc/35/99/92/1412359992.db2.gz KWKNHLTUZNFNDJ-OAQYLSRUSA-N 1 1 392.503 3.225 20 30 GGEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)NCCCNc2ccc(C)c[nH+]2)c1 ZINC000113981242 1412363362 /nfs/dbraw/zinc/36/33/62/1412363362.db2.gz HHTIIMIKNAISON-GOSISDBHSA-N 1 1 381.480 3.372 20 30 GGEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000114037975 1412373581 /nfs/dbraw/zinc/37/35/81/1412373581.db2.gz OHUCTZAARPJGLV-OAQYLSRUSA-N 1 1 392.503 3.395 20 30 GGEDMO CC(C)c1nccn1CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000114163980 1412386017 /nfs/dbraw/zinc/38/60/17/1412386017.db2.gz KZSYKEHAUVCNPV-UHFFFAOYSA-N 1 1 379.508 3.003 20 30 GGEDMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000114187209 1412389445 /nfs/dbraw/zinc/38/94/45/1412389445.db2.gz QPDIEYSYTYJDTH-VQTJNVASSA-N 1 1 398.507 3.182 20 30 GGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000114187209 1412389452 /nfs/dbraw/zinc/38/94/52/1412389452.db2.gz QPDIEYSYTYJDTH-VQTJNVASSA-N 1 1 398.507 3.182 20 30 GGEDMO N#CCCN(C(=O)C[N@H+](CCCO)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000114194056 1412392967 /nfs/dbraw/zinc/39/29/67/1412392967.db2.gz FJWAXEHYZFWQAM-QFIPXVFZSA-N 1 1 377.488 3.305 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)CC(C)(C)O ZINC000114204654 1412393825 /nfs/dbraw/zinc/39/38/25/1412393825.db2.gz AHIITOUNSWYXQS-UHFFFAOYSA-N 1 1 386.471 3.136 20 30 GGEDMO Cc1sc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000177242477 1428647718 /nfs/dbraw/zinc/64/77/18/1428647718.db2.gz OKDDEKNAPQTZAU-UHFFFAOYSA-N 1 1 382.533 3.383 20 30 GGEDMO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000114500889 1412446687 /nfs/dbraw/zinc/44/66/87/1412446687.db2.gz LSKHDEQYMPMVDL-ZIAGYGMSSA-N 1 1 377.460 3.225 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114642702 1412483717 /nfs/dbraw/zinc/48/37/17/1412483717.db2.gz MVVZQDGOAFUPGU-NRFANRHFSA-N 1 1 393.535 3.127 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000114739406 1412515345 /nfs/dbraw/zinc/51/53/45/1412515345.db2.gz PLAKYYNXUAKACZ-UHFFFAOYSA-N 1 1 397.544 3.399 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000114741063 1412515528 /nfs/dbraw/zinc/51/55/28/1412515528.db2.gz QBTZKXMGHKTHOY-HKUYNNGSSA-N 1 1 375.538 3.142 20 30 GGEDMO N#CCOc1cccc(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000114790983 1412525693 /nfs/dbraw/zinc/52/56/93/1412525693.db2.gz JHFVLDOVTHUBBC-HXUWFJFHSA-N 1 1 378.476 3.053 20 30 GGEDMO N#Cc1cccc(OCc2cccc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)c2)c1 ZINC000115341339 1412652908 /nfs/dbraw/zinc/65/29/08/1412652908.db2.gz FBKOYQNLCJNYAV-LJQANCHMSA-N 1 1 375.472 3.351 20 30 GGEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115539786 1412703511 /nfs/dbraw/zinc/70/35/11/1412703511.db2.gz MFSCJTNGGIBNPD-OAQYLSRUSA-N 1 1 391.450 3.178 20 30 GGEDMO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C(N)=O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000115537163 1412704215 /nfs/dbraw/zinc/70/42/15/1412704215.db2.gz JDHLXSSXBMORDU-QFIPXVFZSA-N 1 1 388.471 3.454 20 30 GGEDMO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C(N)=O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000115537167 1412704655 /nfs/dbraw/zinc/70/46/55/1412704655.db2.gz JDHLXSSXBMORDU-JOCHJYFZSA-N 1 1 388.471 3.454 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115569828 1412714968 /nfs/dbraw/zinc/71/49/68/1412714968.db2.gz WTTOJKDKHGYABW-HXUWFJFHSA-N 1 1 376.460 3.014 20 30 GGEDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000115596914 1412724527 /nfs/dbraw/zinc/72/45/27/1412724527.db2.gz KKJGPEPIQQCUIK-AOMKIAJQSA-N 1 1 386.455 3.409 20 30 GGEDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000115596919 1412724988 /nfs/dbraw/zinc/72/49/88/1412724988.db2.gz KKJGPEPIQQCUIK-OPAMFIHVSA-N 1 1 386.455 3.409 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597066 1412725545 /nfs/dbraw/zinc/72/55/45/1412725545.db2.gz OYJYFWAQGDGYFP-VGSWGCGISA-N 1 1 376.504 3.249 20 30 GGEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597068 1412726229 /nfs/dbraw/zinc/72/62/29/1412726229.db2.gz OYJYFWAQGDGYFP-JTSKRJEESA-N 1 1 376.504 3.249 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)nc1 ZINC000115674767 1412757550 /nfs/dbraw/zinc/75/75/50/1412757550.db2.gz QCUIIZSWSRQKFG-UHFFFAOYSA-N 1 1 376.382 3.217 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000115749287 1412776959 /nfs/dbraw/zinc/77/69/59/1412776959.db2.gz KSYQGVHVSPDEGB-RDTXWAMCSA-N 1 1 378.904 3.470 20 30 GGEDMO N#Cc1ccc(-c2ccn(C[NH+]3CCC(CC(=O)N4CCCC4)CC3)n2)cc1 ZINC000116073953 1412828701 /nfs/dbraw/zinc/82/87/01/1412828701.db2.gz NEJZHQSQTXCFJG-UHFFFAOYSA-N 1 1 377.492 3.104 20 30 GGEDMO C[NH+](C)CC[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000116439073 1412860860 /nfs/dbraw/zinc/86/08/60/1412860860.db2.gz HPUMSFYBIRIPNC-OAQYLSRUSA-N 1 1 399.583 3.142 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000116498760 1412868998 /nfs/dbraw/zinc/86/89/98/1412868998.db2.gz ONNAFJBCUUHPCY-SJORKVTESA-N 1 1 392.544 3.097 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000116498760 1412868999 /nfs/dbraw/zinc/86/89/99/1412868999.db2.gz ONNAFJBCUUHPCY-SJORKVTESA-N 1 1 392.544 3.097 20 30 GGEDMO Cc1ccc(CCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000116555830 1412876603 /nfs/dbraw/zinc/87/66/03/1412876603.db2.gz KDUNOZDTSMBBMK-UHFFFAOYSA-N 1 1 376.504 3.327 20 30 GGEDMO COc1cccc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C2CCC(O)CC2)c1 ZINC000116645247 1412891261 /nfs/dbraw/zinc/89/12/61/1412891261.db2.gz WBZVASLEQGDGJJ-UHFFFAOYSA-N 1 1 399.535 3.143 20 30 GGEDMO Cc1oc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3C)CC2)c(C#N)c1C ZINC000116758946 1412917318 /nfs/dbraw/zinc/91/73/18/1412917318.db2.gz YXPDOIOAHARFDG-UHFFFAOYSA-N 1 1 380.492 3.223 20 30 GGEDMO CS[C@@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000117507325 1413044548 /nfs/dbraw/zinc/04/45/48/1413044548.db2.gz KBUGIGMHMUSFLK-VQTJNVASSA-N 1 1 386.565 3.450 20 30 GGEDMO Cc1nsc(N2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000177351853 1428702112 /nfs/dbraw/zinc/70/21/12/1428702112.db2.gz SXVNNSRSUPEZMN-UHFFFAOYSA-N 1 1 380.439 3.429 20 30 GGEDMO Cc1nsc(N2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000177351853 1428702120 /nfs/dbraw/zinc/70/21/20/1428702120.db2.gz SXVNNSRSUPEZMN-UHFFFAOYSA-N 1 1 380.439 3.429 20 30 GGEDMO CCOC(=O)c1ccc(N2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)nc1 ZINC000118395535 1413158666 /nfs/dbraw/zinc/15/86/66/1413158666.db2.gz WXJSJIIOYSDACG-KRWDZBQOSA-N 1 1 378.476 3.403 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3CCCN(C)C3)sc2C1 ZINC000118842444 1413243115 /nfs/dbraw/zinc/24/31/15/1413243115.db2.gz IFPDUESHRBYNOY-HZPDHXFCSA-N 1 1 388.581 3.347 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@@H]3CCCN(C)C3)sc2C1 ZINC000118842444 1413243128 /nfs/dbraw/zinc/24/31/28/1413243128.db2.gz IFPDUESHRBYNOY-HZPDHXFCSA-N 1 1 388.581 3.347 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3CCCN(C)C3)sc2C1 ZINC000118842446 1413244184 /nfs/dbraw/zinc/24/41/84/1413244184.db2.gz IFPDUESHRBYNOY-JKSUJKDBSA-N 1 1 388.581 3.347 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@@H]3CCCN(C)C3)sc2C1 ZINC000118842446 1413244196 /nfs/dbraw/zinc/24/41/96/1413244196.db2.gz IFPDUESHRBYNOY-JKSUJKDBSA-N 1 1 388.581 3.347 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000118949673 1413270807 /nfs/dbraw/zinc/27/08/07/1413270807.db2.gz QQVIKMAEIDGDEH-IERDGZPVSA-N 1 1 375.488 3.250 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000118949876 1413270898 /nfs/dbraw/zinc/27/08/98/1413270898.db2.gz QQVIKMAEIDGDEH-KKSFZXQISA-N 1 1 375.488 3.250 20 30 GGEDMO COCCOc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1OC ZINC000119292140 1413401131 /nfs/dbraw/zinc/40/11/31/1413401131.db2.gz QNCWUMUJODHEMU-UHFFFAOYSA-N 1 1 399.466 3.053 20 30 GGEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000119349985 1413420179 /nfs/dbraw/zinc/42/01/79/1413420179.db2.gz QHKDDGWWCRERKK-SFHVURJKSA-N 1 1 397.544 3.410 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3c(F)cc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000119368006 1413426509 /nfs/dbraw/zinc/42/65/09/1413426509.db2.gz ATDOHSKRUOHSQQ-GASCZTMLSA-N 1 1 399.441 3.376 20 30 GGEDMO C[C@H](Cc1cccs1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000119406937 1413436544 /nfs/dbraw/zinc/43/65/44/1413436544.db2.gz UNTCTTRDEWDYHU-QGZVFWFLSA-N 1 1 382.533 3.468 20 30 GGEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000119448308 1413450078 /nfs/dbraw/zinc/45/00/78/1413450078.db2.gz GWAHPIXBOIDPGC-MJGOQNOKSA-N 1 1 379.460 3.287 20 30 GGEDMO CC(C)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000119633470 1413510341 /nfs/dbraw/zinc/51/03/41/1413510341.db2.gz MZQDZKGSRWCBTF-QFIPXVFZSA-N 1 1 397.544 3.061 20 30 GGEDMO CCOc1ccc(O)c(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000119671904 1413525267 /nfs/dbraw/zinc/52/52/67/1413525267.db2.gz KWDDPOKGRQWLFR-UHFFFAOYSA-N 1 1 394.431 3.233 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119693212 1413534471 /nfs/dbraw/zinc/53/44/71/1413534471.db2.gz PPJWQPCAJXADMK-IRXDYDNUSA-N 1 1 398.536 3.023 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119693212 1413534478 /nfs/dbraw/zinc/53/44/78/1413534478.db2.gz PPJWQPCAJXADMK-IRXDYDNUSA-N 1 1 398.536 3.023 20 30 GGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000119876790 1413601866 /nfs/dbraw/zinc/60/18/66/1413601866.db2.gz NKERBVSYJUSDKR-MRXNPFEDSA-N 1 1 394.393 3.457 20 30 GGEDMO COC(=O)[C@]1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000177450851 1428742252 /nfs/dbraw/zinc/74/22/52/1428742252.db2.gz ZNVHHOJUIDSSTK-HXUWFJFHSA-N 1 1 389.521 3.102 20 30 GGEDMO C[C@H]1C[C@@H](N(C)C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000119967379 1413635641 /nfs/dbraw/zinc/63/56/41/1413635641.db2.gz PBEZRUSPGVMYIZ-RXVVDRJESA-N 1 1 390.483 3.278 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1C ZINC000177454067 1428743139 /nfs/dbraw/zinc/74/31/39/1428743139.db2.gz SBNFSCCBAXKBAG-OAQYLSRUSA-N 1 1 399.535 3.210 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1C ZINC000177454052 1428743181 /nfs/dbraw/zinc/74/31/81/1428743181.db2.gz SBNFSCCBAXKBAG-NRFANRHFSA-N 1 1 399.535 3.210 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c1C#N ZINC000120039590 1413663939 /nfs/dbraw/zinc/66/39/39/1413663939.db2.gz GGQXPYBVAQLYOW-KRWDZBQOSA-N 1 1 386.496 3.481 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@H]2CCSC2)c1C#N ZINC000120039590 1413663944 /nfs/dbraw/zinc/66/39/44/1413663944.db2.gz GGQXPYBVAQLYOW-KRWDZBQOSA-N 1 1 386.496 3.481 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000120119863 1413695076 /nfs/dbraw/zinc/69/50/76/1413695076.db2.gz VUUYTYUKJQOGLA-AEFFLSMTSA-N 1 1 392.507 3.083 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000120119863 1413695080 /nfs/dbraw/zinc/69/50/80/1413695080.db2.gz VUUYTYUKJQOGLA-AEFFLSMTSA-N 1 1 392.507 3.083 20 30 GGEDMO N#CCCCOc1cccc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1 ZINC000120123784 1413696852 /nfs/dbraw/zinc/69/68/52/1413696852.db2.gz OXYWSYDSRDPBHF-JOCHJYFZSA-N 1 1 392.503 3.431 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000120174082 1413717613 /nfs/dbraw/zinc/71/76/13/1413717613.db2.gz QJKAUNZGYGLKMX-FQEVSTJZSA-N 1 1 399.922 3.301 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177468578 1428751516 /nfs/dbraw/zinc/75/15/16/1428751516.db2.gz FLWVSUCBDBULOF-KSSFIOAISA-N 1 1 391.899 3.199 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177468608 1428751827 /nfs/dbraw/zinc/75/18/27/1428751827.db2.gz FLWVSUCBDBULOF-KBXCAEBGSA-N 1 1 391.899 3.199 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177468625 1428752095 /nfs/dbraw/zinc/75/20/95/1428752095.db2.gz FLWVSUCBDBULOF-RDTXWAMCSA-N 1 1 391.899 3.199 20 30 GGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000120311095 1413779143 /nfs/dbraw/zinc/77/91/43/1413779143.db2.gz LIWGBHQKSPZCHG-IBGZPJMESA-N 1 1 385.471 3.422 20 30 GGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000120310937 1413779178 /nfs/dbraw/zinc/77/91/78/1413779178.db2.gz LIWGBHQKSPZCHG-LJQANCHMSA-N 1 1 385.471 3.422 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(F)c(C#N)c2)C(C)C)cc1 ZINC000120415403 1413812732 /nfs/dbraw/zinc/81/27/32/1413812732.db2.gz RYUUFZNFDUPVCI-FQEVSTJZSA-N 1 1 399.466 3.306 20 30 GGEDMO COc1cc(C#N)ccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2OC)CC1 ZINC000120536490 1413838743 /nfs/dbraw/zinc/83/87/43/1413838743.db2.gz BPYHKQCQPNLYSX-UHFFFAOYSA-N 1 1 390.487 3.155 20 30 GGEDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000120571904 1413846087 /nfs/dbraw/zinc/84/60/87/1413846087.db2.gz QYGJXLPMSWCWFI-WQUXRXDGSA-N 1 1 384.524 3.230 20 30 GGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000120600675 1413852101 /nfs/dbraw/zinc/85/21/01/1413852101.db2.gz MNPYLFPMUXOTSS-ATZDWAIDSA-N 1 1 378.476 3.359 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1C#N ZINC000120603795 1413853151 /nfs/dbraw/zinc/85/31/51/1413853151.db2.gz JUTACZZNPIWJFP-QUCCMNQESA-N 1 1 394.519 3.056 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1C#N ZINC000120603795 1413853152 /nfs/dbraw/zinc/85/31/52/1413853152.db2.gz JUTACZZNPIWJFP-QUCCMNQESA-N 1 1 394.519 3.056 20 30 GGEDMO CN(C(=O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1)C1(C#N)CCCCC1 ZINC000120786209 1413902963 /nfs/dbraw/zinc/90/29/63/1413902963.db2.gz ZPUWUIFKIUQJNQ-UHFFFAOYSA-N 1 1 391.462 3.493 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1C#N ZINC000120806664 1413909020 /nfs/dbraw/zinc/90/90/20/1413909020.db2.gz BVRFUKJNBCXMRW-SJORKVTESA-N 1 1 398.482 3.136 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1C#N ZINC000120806664 1413909026 /nfs/dbraw/zinc/90/90/26/1413909026.db2.gz BVRFUKJNBCXMRW-SJORKVTESA-N 1 1 398.482 3.136 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)Cc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000120850982 1413926436 /nfs/dbraw/zinc/92/64/36/1413926436.db2.gz PADOIZIZPGGXGI-WIYYLYMNSA-N 1 1 377.488 3.301 20 30 GGEDMO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NC2CCN(C)CC2)cc1 ZINC000120917664 1413947805 /nfs/dbraw/zinc/94/78/05/1413947805.db2.gz YNIWLYROXAYPFS-UHFFFAOYSA-O 1 1 399.584 3.104 20 30 GGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000120948177 1413956518 /nfs/dbraw/zinc/95/65/18/1413956518.db2.gz KJFRQOYTOJRPDP-QGZVFWFLSA-N 1 1 394.393 3.457 20 30 GGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000120984939 1413968404 /nfs/dbraw/zinc/96/84/04/1413968404.db2.gz UAKHUIZALBFAKN-INIZCTEOSA-N 1 1 394.393 3.457 20 30 GGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000121125686 1414016829 /nfs/dbraw/zinc/01/68/29/1414016829.db2.gz YWHUHTPWUQYTCI-QGZVFWFLSA-N 1 1 398.532 3.350 20 30 GGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000121125686 1414016834 /nfs/dbraw/zinc/01/68/34/1414016834.db2.gz YWHUHTPWUQYTCI-QGZVFWFLSA-N 1 1 398.532 3.350 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000121151131 1414026006 /nfs/dbraw/zinc/02/60/06/1414026006.db2.gz MTVTWQQIUHSYKD-GJZGRUSLSA-N 1 1 399.441 3.376 20 30 GGEDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000121177073 1414034508 /nfs/dbraw/zinc/03/45/08/1414034508.db2.gz RJABYTWNCWSBNJ-UHFFFAOYSA-N 1 1 381.476 3.369 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)CC1 ZINC000121221609 1414048613 /nfs/dbraw/zinc/04/86/13/1414048613.db2.gz BOUMVXGKTZKBHV-UHFFFAOYSA-N 1 1 377.419 3.415 20 30 GGEDMO CC(C)C[N@H+](CC(=O)Nc1sccc1C#N)C[C@H](O)c1ccc(F)cc1 ZINC000121284584 1414071531 /nfs/dbraw/zinc/07/15/31/1414071531.db2.gz WOOSCFMSHZRPBY-KRWDZBQOSA-N 1 1 375.469 3.389 20 30 GGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000121320489 1414082408 /nfs/dbraw/zinc/08/24/08/1414082408.db2.gz YSOPDJBLRIMJOJ-INIZCTEOSA-N 1 1 384.867 3.466 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000121340740 1414088261 /nfs/dbraw/zinc/08/82/61/1414088261.db2.gz DVXQAYDZTNOQTK-SFHVURJKSA-N 1 1 392.507 3.084 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000121341264 1414088295 /nfs/dbraw/zinc/08/82/95/1414088295.db2.gz KJMGNYFPKVBPLW-GOSISDBHSA-N 1 1 392.507 3.084 20 30 GGEDMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121375591 1414099326 /nfs/dbraw/zinc/09/93/26/1414099326.db2.gz PBEBOTXGPIIMDO-LBPRGKRZSA-N 1 1 399.886 3.116 20 30 GGEDMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121375591 1414099329 /nfs/dbraw/zinc/09/93/29/1414099329.db2.gz PBEBOTXGPIIMDO-LBPRGKRZSA-N 1 1 399.886 3.116 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000121498280 1414151654 /nfs/dbraw/zinc/15/16/54/1414151654.db2.gz GNRDRRUHDSZTLZ-FQEVSTJZSA-N 1 1 388.475 3.108 20 30 GGEDMO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000121625156 1414204806 /nfs/dbraw/zinc/20/48/06/1414204806.db2.gz BRVGUBWOCGKNSP-QHCPKHFHSA-N 1 1 393.531 3.089 20 30 GGEDMO CN(C[C@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121625156 1414204812 /nfs/dbraw/zinc/20/48/12/1414204812.db2.gz BRVGUBWOCGKNSP-QHCPKHFHSA-N 1 1 393.531 3.089 20 30 GGEDMO CCC[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@H+]1CCOC ZINC000121696280 1414226896 /nfs/dbraw/zinc/22/68/96/1414226896.db2.gz CVMBVHQWMHSWGA-LJQANCHMSA-N 1 1 396.535 3.170 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000121799612 1414261025 /nfs/dbraw/zinc/26/10/25/1414261025.db2.gz DJRXZBOGJDXOPS-MRXNPFEDSA-N 1 1 376.460 3.458 20 30 GGEDMO Cc1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C#N ZINC000121954363 1414322353 /nfs/dbraw/zinc/32/23/53/1414322353.db2.gz VRDFDNSQOYMOMX-KXBFYZLASA-N 1 1 389.546 3.290 20 30 GGEDMO COCC[N@H+](C)CCCC1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000122124257 1414367900 /nfs/dbraw/zinc/36/79/00/1414367900.db2.gz ZIVXLWNJDRLDFK-UHFFFAOYSA-N 1 1 397.523 3.179 20 30 GGEDMO COCC[N@@H+](C)CCCC1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000122124257 1414367904 /nfs/dbraw/zinc/36/79/04/1414367904.db2.gz ZIVXLWNJDRLDFK-UHFFFAOYSA-N 1 1 397.523 3.179 20 30 GGEDMO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C#N ZINC000122146573 1414373634 /nfs/dbraw/zinc/37/36/34/1414373634.db2.gz CHBUMEOBIMWZQS-UHFFFAOYSA-N 1 1 392.503 3.345 20 30 GGEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@H]1c1ccco1 ZINC000122353183 1414432420 /nfs/dbraw/zinc/43/24/20/1414432420.db2.gz SXYUUWRKWIKAQY-NHCUHLMSSA-N 1 1 379.456 3.200 20 30 GGEDMO COCCCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000122526865 1414490702 /nfs/dbraw/zinc/49/07/02/1414490702.db2.gz XTPILVWKECKUIT-CQSZACIVSA-N 1 1 379.888 3.056 20 30 GGEDMO N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000177621304 1428813098 /nfs/dbraw/zinc/81/30/98/1428813098.db2.gz JPDOVPSEMDVPHL-JOCHJYFZSA-N 1 1 394.563 3.247 20 30 GGEDMO COC(=O)c1nn(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000177625257 1428814948 /nfs/dbraw/zinc/81/49/48/1428814948.db2.gz IWJGLBORZKTNTC-UHFFFAOYSA-N 1 1 390.443 3.195 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000122628447 1414522880 /nfs/dbraw/zinc/52/28/80/1414522880.db2.gz YQLRLXYEIMDBEK-KRWDZBQOSA-N 1 1 399.004 3.371 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000122646130 1414528232 /nfs/dbraw/zinc/52/82/32/1414528232.db2.gz AAGMVEWIMGSXRF-SFTDATJTSA-N 1 1 378.476 3.268 20 30 GGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000122688938 1414539188 /nfs/dbraw/zinc/53/91/88/1414539188.db2.gz BRXGULJVFIWMEJ-KRWDZBQOSA-N 1 1 381.442 3.334 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000122801792 1414568595 /nfs/dbraw/zinc/56/85/95/1414568595.db2.gz BQIYJXHBXNIPEF-UHFFFAOYSA-N 1 1 377.488 3.427 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000122801792 1414568599 /nfs/dbraw/zinc/56/85/99/1414568599.db2.gz BQIYJXHBXNIPEF-UHFFFAOYSA-N 1 1 377.488 3.427 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000122801792 1414568605 /nfs/dbraw/zinc/56/86/05/1414568605.db2.gz BQIYJXHBXNIPEF-UHFFFAOYSA-N 1 1 377.488 3.427 20 30 GGEDMO COCOc1ccc(OC)cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122831137 1414575941 /nfs/dbraw/zinc/57/59/41/1414575941.db2.gz GZJCDZOCPUJGAF-UHFFFAOYSA-N 1 1 395.503 3.257 20 30 GGEDMO COCOc1ccc(OC)cc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122831137 1414575947 /nfs/dbraw/zinc/57/59/47/1414575947.db2.gz GZJCDZOCPUJGAF-UHFFFAOYSA-N 1 1 395.503 3.257 20 30 GGEDMO COCOc1ccc(OC)cc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122831137 1414575951 /nfs/dbraw/zinc/57/59/51/1414575951.db2.gz GZJCDZOCPUJGAF-UHFFFAOYSA-N 1 1 395.503 3.257 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000122833553 1414576291 /nfs/dbraw/zinc/57/62/91/1414576291.db2.gz QRNCEPXIXFFADS-UHFFFAOYSA-N 1 1 390.531 3.103 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000122833553 1414576300 /nfs/dbraw/zinc/57/63/00/1414576300.db2.gz QRNCEPXIXFFADS-UHFFFAOYSA-N 1 1 390.531 3.103 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC000122833553 1414576306 /nfs/dbraw/zinc/57/63/06/1414576306.db2.gz QRNCEPXIXFFADS-UHFFFAOYSA-N 1 1 390.531 3.103 20 30 GGEDMO C[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000122846728 1414579269 /nfs/dbraw/zinc/57/92/69/1414579269.db2.gz MBSDLXPMVNEKOS-UHFFFAOYSA-N 1 1 379.357 3.464 20 30 GGEDMO C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000122846728 1414579272 /nfs/dbraw/zinc/57/92/72/1414579272.db2.gz MBSDLXPMVNEKOS-UHFFFAOYSA-N 1 1 379.357 3.464 20 30 GGEDMO Cc1cc(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)cc(C)c1OCC(F)(F)F ZINC000123060530 1414630856 /nfs/dbraw/zinc/63/08/56/1414630856.db2.gz WASTWHXWKARDJP-HNNXBMFYSA-N 1 1 385.430 3.437 20 30 GGEDMO COc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000123189789 1414663808 /nfs/dbraw/zinc/66/38/08/1414663808.db2.gz NMYSFGULWHRGCR-UHFFFAOYSA-N 1 1 394.475 3.315 20 30 GGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177665866 1428827462 /nfs/dbraw/zinc/82/74/62/1428827462.db2.gz RFPVEMOVISVPRK-AWEZNQCLSA-N 1 1 389.443 3.072 20 30 GGEDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000123402721 1414718543 /nfs/dbraw/zinc/71/85/43/1414718543.db2.gz CSKPRCIJMIOFQA-UHFFFAOYSA-N 1 1 381.476 3.357 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000123446923 1414734617 /nfs/dbraw/zinc/73/46/17/1414734617.db2.gz FOZSOLBBCSUBRE-BBWFWOEESA-N 1 1 384.524 3.229 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C#N)c(Cl)c3)c2)CCO1 ZINC000123506104 1414755759 /nfs/dbraw/zinc/75/57/59/1414755759.db2.gz RKUNHASLZGQNJC-OAHLLOKOSA-N 1 1 383.879 3.362 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C#N)c(Cl)c3)c2)CCO1 ZINC000123506104 1414755771 /nfs/dbraw/zinc/75/57/71/1414755771.db2.gz RKUNHASLZGQNJC-OAHLLOKOSA-N 1 1 383.879 3.362 20 30 GGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000123721215 1414815282 /nfs/dbraw/zinc/81/52/82/1414815282.db2.gz RDAZXAKSLKROHL-UHFFFAOYSA-N 1 1 383.249 3.120 20 30 GGEDMO C[N@H+](Cc1cccc(C#N)c1)Cn1nc(Br)c(=O)c2ccccc21 ZINC000123720326 1414815455 /nfs/dbraw/zinc/81/54/55/1414815455.db2.gz WDPHHCUMKQGAGV-UHFFFAOYSA-N 1 1 383.249 3.120 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCc1ccc(C#N)cc1 ZINC000123732059 1414817155 /nfs/dbraw/zinc/81/71/55/1414817155.db2.gz QDOWLWFROKEMDL-QFIPXVFZSA-N 1 1 376.504 3.399 20 30 GGEDMO N#Cc1ccc(N2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)c(F)c1 ZINC000177709102 1428839392 /nfs/dbraw/zinc/83/93/92/1428839392.db2.gz VSUUOGVNVWCEBA-SFHVURJKSA-N 1 1 384.499 3.001 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCCCNC2=O)cc1OC ZINC000123917019 1414849626 /nfs/dbraw/zinc/84/96/26/1414849626.db2.gz LFCGEOXGUPVYTL-OAHLLOKOSA-N 1 1 397.313 3.123 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)cc1OC ZINC000123917019 1414849628 /nfs/dbraw/zinc/84/96/28/1414849628.db2.gz LFCGEOXGUPVYTL-OAHLLOKOSA-N 1 1 397.313 3.123 20 30 GGEDMO CC(C)CC[N@@H+](CCC#N)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124128881 1414891391 /nfs/dbraw/zinc/89/13/91/1414891391.db2.gz NMAAQPZXYHQDHP-UHFFFAOYSA-N 1 1 377.286 3.378 20 30 GGEDMO Cc1nc(SCC(=O)NCC[N@@H+]2CCc3ccccc3C2)c(C#N)c(C)c1C ZINC000124213597 1414910091 /nfs/dbraw/zinc/91/00/91/1414910091.db2.gz XWJVBIAHKWXIIW-UHFFFAOYSA-N 1 1 394.544 3.145 20 30 GGEDMO Cc1nc(SCC(=O)NCC[N@H+]2CCc3ccccc3C2)c(C#N)c(C)c1C ZINC000124213597 1414910099 /nfs/dbraw/zinc/91/00/99/1414910099.db2.gz XWJVBIAHKWXIIW-UHFFFAOYSA-N 1 1 394.544 3.145 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124375080 1414951443 /nfs/dbraw/zinc/95/14/43/1414951443.db2.gz VNTIQTMLNBNASF-UHFFFAOYSA-N 1 1 391.581 3.193 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124375080 1414951451 /nfs/dbraw/zinc/95/14/51/1414951451.db2.gz VNTIQTMLNBNASF-UHFFFAOYSA-N 1 1 391.581 3.193 20 30 GGEDMO C[C@H](c1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1)[NH+]1CCOCC1 ZINC000124425540 1414965271 /nfs/dbraw/zinc/96/52/71/1414965271.db2.gz MATIXTGEJXQHJG-QGZVFWFLSA-N 1 1 379.460 3.163 20 30 GGEDMO C[C@]1(O)CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000124451490 1414971686 /nfs/dbraw/zinc/97/16/86/1414971686.db2.gz CMIRZRSCZYRLSS-QHCPKHFHSA-N 1 1 392.503 3.013 20 30 GGEDMO C[C@]1(O)CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000124451490 1414971688 /nfs/dbraw/zinc/97/16/88/1414971688.db2.gz CMIRZRSCZYRLSS-QHCPKHFHSA-N 1 1 392.503 3.013 20 30 GGEDMO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000124711776 1415027189 /nfs/dbraw/zinc/02/71/89/1415027189.db2.gz DFJONXHCSNBCDN-UHFFFAOYSA-N 1 1 383.517 3.295 20 30 GGEDMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000124711776 1415027192 /nfs/dbraw/zinc/02/71/92/1415027192.db2.gz DFJONXHCSNBCDN-UHFFFAOYSA-N 1 1 383.517 3.295 20 30 GGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124763890 1415039004 /nfs/dbraw/zinc/03/90/04/1415039004.db2.gz ZTQCWZLBQCCYCS-QFIPXVFZSA-N 1 1 377.488 3.198 20 30 GGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124763890 1415039007 /nfs/dbraw/zinc/03/90/07/1415039007.db2.gz ZTQCWZLBQCCYCS-QFIPXVFZSA-N 1 1 377.488 3.198 20 30 GGEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C)o1 ZINC000125100245 1415108445 /nfs/dbraw/zinc/10/84/45/1415108445.db2.gz QDGIEFYNOKXXNB-UHFFFAOYSA-N 1 1 387.505 3.487 20 30 GGEDMO C[N@H+]1CCC[C@@H]1CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N ZINC000125123593 1415114237 /nfs/dbraw/zinc/11/42/37/1415114237.db2.gz WQCCZGAUWHIFOT-MRXNPFEDSA-N 1 1 381.505 3.364 20 30 GGEDMO C=CCOc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000125154273 1415120395 /nfs/dbraw/zinc/12/03/95/1415120395.db2.gz HTRSYCHNUDYVSX-HXUWFJFHSA-N 1 1 380.488 3.138 20 30 GGEDMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000125185547 1415126087 /nfs/dbraw/zinc/12/60/87/1415126087.db2.gz MXRFTNFNFFWBDH-KRWDZBQOSA-N 1 1 379.460 3.240 20 30 GGEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000125185547 1415126090 /nfs/dbraw/zinc/12/60/90/1415126090.db2.gz MXRFTNFNFFWBDH-KRWDZBQOSA-N 1 1 379.460 3.240 20 30 GGEDMO CC(C)Oc1ncccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000125218736 1415132585 /nfs/dbraw/zinc/13/25/85/1415132585.db2.gz VFICZJLXCPZOCT-UHFFFAOYSA-N 1 1 393.491 3.480 20 30 GGEDMO CC(C)Oc1ncccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000125218736 1415132590 /nfs/dbraw/zinc/13/25/90/1415132590.db2.gz VFICZJLXCPZOCT-UHFFFAOYSA-N 1 1 393.491 3.480 20 30 GGEDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000125255440 1415143348 /nfs/dbraw/zinc/14/33/48/1415143348.db2.gz MMRLVIMGDGTIKH-IRXDYDNUSA-N 1 1 384.524 3.088 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)COC/C=C/c3ccccc3)CC2)cc1 ZINC000125275374 1415149619 /nfs/dbraw/zinc/14/96/19/1415149619.db2.gz AOWWHOSHYQNMBD-XBXARRHUSA-N 1 1 389.499 3.323 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COC/C=C/c3ccccc3)CC2)cc1 ZINC000125275374 1415149628 /nfs/dbraw/zinc/14/96/28/1415149628.db2.gz AOWWHOSHYQNMBD-XBXARRHUSA-N 1 1 389.499 3.323 20 30 GGEDMO CN1CC[N@@H+](CCCNC(=O)Nc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000125286761 1415153198 /nfs/dbraw/zinc/15/31/98/1415153198.db2.gz BDORRROVACIZIH-QFIPXVFZSA-N 1 1 391.519 3.253 20 30 GGEDMO C[N@@H+]1CCN(CCCNC(=O)Nc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000125286761 1415153206 /nfs/dbraw/zinc/15/32/06/1415153206.db2.gz BDORRROVACIZIH-QFIPXVFZSA-N 1 1 391.519 3.253 20 30 GGEDMO C[N@H+]1CCN(CCCNC(=O)Nc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000125286761 1415153214 /nfs/dbraw/zinc/15/32/14/1415153214.db2.gz BDORRROVACIZIH-QFIPXVFZSA-N 1 1 391.519 3.253 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000125293371 1415156130 /nfs/dbraw/zinc/15/61/30/1415156130.db2.gz NMGIOLKZCHVDOR-SLFFLAALSA-N 1 1 398.551 3.339 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125372017 1415179632 /nfs/dbraw/zinc/17/96/32/1415179632.db2.gz QPSCTFONJBYFSB-GJZGRUSLSA-N 1 1 397.491 3.112 20 30 GGEDMO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000125380320 1415181092 /nfs/dbraw/zinc/18/10/92/1415181092.db2.gz CUQALLJPSRITHG-SFHVURJKSA-N 1 1 375.394 3.338 20 30 GGEDMO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000125380320 1415181102 /nfs/dbraw/zinc/18/11/02/1415181102.db2.gz CUQALLJPSRITHG-SFHVURJKSA-N 1 1 375.394 3.338 20 30 GGEDMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125488034 1415212702 /nfs/dbraw/zinc/21/27/02/1415212702.db2.gz VVKYNRPWFMMJHT-GJZGRUSLSA-N 1 1 382.512 3.269 20 30 GGEDMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125487517 1415212914 /nfs/dbraw/zinc/21/29/14/1415212914.db2.gz VVKYNRPWFMMJHT-HUUCEWRRSA-N 1 1 382.512 3.269 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000126051310 1415345565 /nfs/dbraw/zinc/34/55/65/1415345565.db2.gz HFZZPFCJLXJIGN-UTKZUKDTSA-N 1 1 396.466 3.264 20 30 GGEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000126419475 1415447444 /nfs/dbraw/zinc/44/74/44/1415447444.db2.gz ZCAGMJWRZFXITL-MRXNPFEDSA-N 1 1 394.475 3.136 20 30 GGEDMO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126427161 1415450317 /nfs/dbraw/zinc/45/03/17/1415450317.db2.gz YUJVOVSZRLYEHI-WIYYLYMNSA-N 1 1 394.519 3.142 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000126482384 1415466640 /nfs/dbraw/zinc/46/66/40/1415466640.db2.gz OIBFOWLVVJUJFH-HXUWFJFHSA-N 1 1 395.503 3.070 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000126482384 1415466643 /nfs/dbraw/zinc/46/66/43/1415466643.db2.gz OIBFOWLVVJUJFH-HXUWFJFHSA-N 1 1 395.503 3.070 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126498366 1415470922 /nfs/dbraw/zinc/47/09/22/1415470922.db2.gz SLGKFYKNEVJCDH-HNNXBMFYSA-N 1 1 395.290 3.102 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126498366 1415470925 /nfs/dbraw/zinc/47/09/25/1415470925.db2.gz SLGKFYKNEVJCDH-HNNXBMFYSA-N 1 1 395.290 3.102 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000126612282 1415506947 /nfs/dbraw/zinc/50/69/47/1415506947.db2.gz YGPZLRLXKVNCCY-OAQYLSRUSA-N 1 1 392.503 3.389 20 30 GGEDMO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000126661388 1415520347 /nfs/dbraw/zinc/52/03/47/1415520347.db2.gz UUISFCWUBXVDLN-UHFFFAOYSA-N 1 1 396.487 3.387 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000178021565 1428941745 /nfs/dbraw/zinc/94/17/45/1428941745.db2.gz MKNZJASKRXONLY-SFHVURJKSA-N 1 1 384.524 3.306 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000126750267 1415547289 /nfs/dbraw/zinc/54/72/89/1415547289.db2.gz FEEWETYTBPBPFJ-MRXNPFEDSA-N 1 1 393.528 3.363 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000126750507 1415547534 /nfs/dbraw/zinc/54/75/34/1415547534.db2.gz FEEWETYTBPBPFJ-INIZCTEOSA-N 1 1 393.528 3.363 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000178060068 1428962121 /nfs/dbraw/zinc/96/21/21/1428962121.db2.gz ARUYFZOKJTYFEW-IBGZPJMESA-N 1 1 390.487 3.029 20 30 GGEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000126953447 1415617231 /nfs/dbraw/zinc/61/72/31/1415617231.db2.gz SMPNZDBCJXYTKC-INIZCTEOSA-N 1 1 386.517 3.296 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178055336 1428959048 /nfs/dbraw/zinc/95/90/48/1428959048.db2.gz BQOCEZNYAUFYSD-IEBWSBKVSA-N 1 1 390.487 3.027 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178055336 1428959058 /nfs/dbraw/zinc/95/90/58/1428959058.db2.gz BQOCEZNYAUFYSD-IEBWSBKVSA-N 1 1 390.487 3.027 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178058284 1428960445 /nfs/dbraw/zinc/96/04/45/1428960445.db2.gz WBWDBLXLPGNIFV-ZWKOTPCHSA-N 1 1 390.487 3.027 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178058284 1428960452 /nfs/dbraw/zinc/96/04/52/1428960452.db2.gz WBWDBLXLPGNIFV-ZWKOTPCHSA-N 1 1 390.487 3.027 20 30 GGEDMO COc1ccc(Cl)cc1CN1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000127039276 1415645361 /nfs/dbraw/zinc/64/53/61/1415645361.db2.gz RVRMKLQXAQKPAV-HXUWFJFHSA-N 1 1 385.895 3.071 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)c(Cl)c3)CC2)oc1C ZINC000127058852 1415650112 /nfs/dbraw/zinc/65/01/12/1415650112.db2.gz XHPVSFVOKQHWEB-UHFFFAOYSA-N 1 1 386.883 3.459 20 30 GGEDMO C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000127197039 1415683669 /nfs/dbraw/zinc/68/36/69/1415683669.db2.gz TVNREPUSLQIIDB-QGZVFWFLSA-N 1 1 377.488 3.279 20 30 GGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C#N)c1C ZINC000127217503 1415689800 /nfs/dbraw/zinc/68/98/00/1415689800.db2.gz YWMUCSKOOLUSJQ-INIZCTEOSA-N 1 1 396.491 3.064 20 30 GGEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C#N)c1C ZINC000127217503 1415689814 /nfs/dbraw/zinc/68/98/14/1415689814.db2.gz YWMUCSKOOLUSJQ-INIZCTEOSA-N 1 1 396.491 3.064 20 30 GGEDMO C=C(C)COc1cc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1OC ZINC000127275193 1415714182 /nfs/dbraw/zinc/71/41/82/1415714182.db2.gz QBBGLANEVOQZEZ-JOCHJYFZSA-N 1 1 396.531 3.159 20 30 GGEDMO C=C(C)COc1cc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1OC ZINC000127275193 1415714202 /nfs/dbraw/zinc/71/42/02/1415714202.db2.gz QBBGLANEVOQZEZ-JOCHJYFZSA-N 1 1 396.531 3.159 20 30 GGEDMO N#Cc1ccsc1C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000127294386 1415723288 /nfs/dbraw/zinc/72/32/88/1415723288.db2.gz DIWPMMHTMNRMAJ-UHFFFAOYSA-N 1 1 380.473 3.159 20 30 GGEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000127438303 1415778673 /nfs/dbraw/zinc/77/86/73/1415778673.db2.gz RBCNIMWVOVDFTE-ZDUSSCGKSA-N 1 1 387.833 3.327 20 30 GGEDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000127438605 1415778871 /nfs/dbraw/zinc/77/88/71/1415778871.db2.gz XIWFXEONAZTGHO-UHFFFAOYSA-N 1 1 382.895 3.106 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000127495398 1415800697 /nfs/dbraw/zinc/80/06/97/1415800697.db2.gz AKABTXBLZHKHRR-PXNSSMCTSA-N 1 1 392.503 3.287 20 30 GGEDMO C#CCCOc1ccc(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000127509352 1415802528 /nfs/dbraw/zinc/80/25/28/1415802528.db2.gz QLEDGAYWEVYRMA-NRFANRHFSA-N 1 1 391.515 3.398 20 30 GGEDMO COc1ccc(C)nc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000127577195 1415813129 /nfs/dbraw/zinc/81/31/29/1415813129.db2.gz TYARXECATQHODA-UHFFFAOYSA-N 1 1 379.464 3.010 20 30 GGEDMO COc1ccc(C)nc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000127577195 1415813133 /nfs/dbraw/zinc/81/31/33/1415813133.db2.gz TYARXECATQHODA-UHFFFAOYSA-N 1 1 379.464 3.010 20 30 GGEDMO C=C(Br)C[NH2+]C1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1 ZINC000127659222 1415828073 /nfs/dbraw/zinc/82/80/73/1415828073.db2.gz KVHBEYFYFKTVPH-UHFFFAOYSA-N 1 1 383.286 3.453 20 30 GGEDMO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000128025844 1415895511 /nfs/dbraw/zinc/89/55/11/1415895511.db2.gz VMRHRUULTBQRMZ-LJQANCHMSA-N 1 1 388.515 3.044 20 30 GGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000128043968 1415900092 /nfs/dbraw/zinc/90/00/92/1415900092.db2.gz XJHHKPBXFSJZMN-QGZVFWFLSA-N 1 1 394.393 3.457 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000128231317 1415944378 /nfs/dbraw/zinc/94/43/78/1415944378.db2.gz AYSALUVPIDEDGL-PMACEKPBSA-N 1 1 379.460 3.012 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000128231317 1415944384 /nfs/dbraw/zinc/94/43/84/1415944384.db2.gz AYSALUVPIDEDGL-PMACEKPBSA-N 1 1 379.460 3.012 20 30 GGEDMO C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H]1C[N@H+](C)CCO1 ZINC000128396141 1415978768 /nfs/dbraw/zinc/97/87/68/1415978768.db2.gz SKDDZDJLXVDLGG-JLTOFOAXSA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000128396141 1415978772 /nfs/dbraw/zinc/97/87/72/1415978772.db2.gz SKDDZDJLXVDLGG-JLTOFOAXSA-N 1 1 399.878 3.453 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000128680801 1416041637 /nfs/dbraw/zinc/04/16/37/1416041637.db2.gz PIOSJDIAFVNOJD-HKUYNNGSSA-N 1 1 386.879 3.299 20 30 GGEDMO C=CC[N@H+](CC(=O)Nc1cc(-n2nnnc2C)ccc1F)CC1CCCCC1 ZINC000128750533 1416058156 /nfs/dbraw/zinc/05/81/56/1416058156.db2.gz XCAHZCZFOGQPJE-UHFFFAOYSA-N 1 1 386.475 3.117 20 30 GGEDMO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000128750885 1416059177 /nfs/dbraw/zinc/05/91/77/1416059177.db2.gz BZCJXUQLWFPOQP-RJGXRXQPSA-N 1 1 396.579 3.374 20 30 GGEDMO CC(C)(C)[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000128767842 1416063053 /nfs/dbraw/zinc/06/30/53/1416063053.db2.gz ZQLWMDHOROGLIB-RDYUPDBUSA-N 1 1 377.452 3.155 20 30 GGEDMO CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000128770364 1416063519 /nfs/dbraw/zinc/06/35/19/1416063519.db2.gz BPGNNBRLGLGTSQ-UHFFFAOYSA-N 1 1 380.467 3.134 20 30 GGEDMO C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1=S ZINC000129290871 1416186120 /nfs/dbraw/zinc/18/61/20/1416186120.db2.gz ATGCLFCEAJIVSK-QZTJIDSGSA-N 1 1 384.553 3.036 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000129340223 1416194021 /nfs/dbraw/zinc/19/40/21/1416194021.db2.gz PJCKESNCMUQJKP-UHFFFAOYSA-N 1 1 391.431 3.108 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129369000 1416197837 /nfs/dbraw/zinc/19/78/37/1416197837.db2.gz QCTAKSBTELBYMQ-BJLQDIEVSA-N 1 1 395.507 3.110 20 30 GGEDMO C[C@@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H]1n1ccnc1 ZINC000129426821 1416207350 /nfs/dbraw/zinc/20/73/50/1416207350.db2.gz LROCBXCMQJRMGR-MDYRTPRTSA-N 1 1 386.459 3.003 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000129515343 1416221458 /nfs/dbraw/zinc/22/14/58/1416221458.db2.gz WAJDIJYGRPKAQG-QKNQBKEWSA-N 1 1 379.508 3.410 20 30 GGEDMO C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1n1ccnc1 ZINC000129583630 1416232614 /nfs/dbraw/zinc/23/26/14/1416232614.db2.gz NKEUZZZPBLDSEL-LPHOPBHVSA-N 1 1 385.899 3.366 20 30 GGEDMO C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1n1ccnc1 ZINC000129583630 1416232618 /nfs/dbraw/zinc/23/26/18/1416232618.db2.gz NKEUZZZPBLDSEL-LPHOPBHVSA-N 1 1 385.899 3.366 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129757699 1416259330 /nfs/dbraw/zinc/25/93/30/1416259330.db2.gz MXPKYARSJJZKDT-UWVAXJGDSA-N 1 1 383.471 3.240 20 30 GGEDMO COc1cc(CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000178470164 1429085135 /nfs/dbraw/zinc/08/51/35/1429085135.db2.gz ZVCBVXMGHCZUBX-QGZVFWFLSA-N 1 1 395.503 3.463 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)cc1 ZINC000130175732 1416332748 /nfs/dbraw/zinc/33/27/48/1416332748.db2.gz NWWAIEGWAHKPRP-MRXNPFEDSA-N 1 1 389.546 3.119 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cc1 ZINC000130175732 1416332753 /nfs/dbraw/zinc/33/27/53/1416332753.db2.gz NWWAIEGWAHKPRP-MRXNPFEDSA-N 1 1 389.546 3.119 20 30 GGEDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(CC#N)cc3)C2)cc(OC)c1 ZINC000130340414 1416360962 /nfs/dbraw/zinc/36/09/62/1416360962.db2.gz ACXQVRNQPRIHOO-IBGZPJMESA-N 1 1 394.475 3.166 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(CC#N)cc3)C2)cc(OC)c1 ZINC000130340414 1416360967 /nfs/dbraw/zinc/36/09/67/1416360967.db2.gz ACXQVRNQPRIHOO-IBGZPJMESA-N 1 1 394.475 3.166 20 30 GGEDMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(CC#N)cc3)C2)cc(OC)c1 ZINC000130340658 1416361208 /nfs/dbraw/zinc/36/12/08/1416361208.db2.gz ACXQVRNQPRIHOO-LJQANCHMSA-N 1 1 394.475 3.166 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(CC#N)cc3)C2)cc(OC)c1 ZINC000130340658 1416361213 /nfs/dbraw/zinc/36/12/13/1416361213.db2.gz ACXQVRNQPRIHOO-LJQANCHMSA-N 1 1 394.475 3.166 20 30 GGEDMO CCOC(=O)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000130411647 1416373983 /nfs/dbraw/zinc/37/39/83/1416373983.db2.gz LRYJWKSVEBUONN-MRXNPFEDSA-N 1 1 389.471 3.126 20 30 GGEDMO CCOC(=O)COc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000130522745 1416393635 /nfs/dbraw/zinc/39/36/35/1416393635.db2.gz YWZVGPOMSUYLNU-UHFFFAOYSA-N 1 1 393.487 3.212 20 30 GGEDMO C[C@H]1C[C@H](N(C)C(=O)CNc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000130828215 1416461447 /nfs/dbraw/zinc/46/14/47/1416461447.db2.gz LQEOHVBPCJJZEW-PGRDOPGGSA-N 1 1 376.504 3.482 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000130834891 1416463689 /nfs/dbraw/zinc/46/36/89/1416463689.db2.gz OTWCVZATYKXVPO-OAQYLSRUSA-N 1 1 386.540 3.084 20 30 GGEDMO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(C#N)s4)CC3)cc2NC1=O ZINC000130935515 1416483938 /nfs/dbraw/zinc/48/39/38/1416483938.db2.gz HDYOHLZTSHJCJO-ZDUSSCGKSA-N 1 1 395.484 3.434 20 30 GGEDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)Nc3cccc(C#N)c3C)C2)cc(OC)c1 ZINC000178542179 1429102246 /nfs/dbraw/zinc/10/22/46/1429102246.db2.gz MNLOHGWDDQHLDO-SFHVURJKSA-N 1 1 394.475 3.280 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)Nc3cccc(C#N)c3C)C2)cc(OC)c1 ZINC000178542179 1429102254 /nfs/dbraw/zinc/10/22/54/1429102254.db2.gz MNLOHGWDDQHLDO-SFHVURJKSA-N 1 1 394.475 3.280 20 30 GGEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)Nc3cccc(C#N)c3C)cc2)CC1 ZINC000178547683 1429103819 /nfs/dbraw/zinc/10/38/19/1429103819.db2.gz NTNCNZLHEMOZOW-UHFFFAOYSA-N 1 1 391.519 3.326 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000131227948 1416526738 /nfs/dbraw/zinc/52/67/38/1416526738.db2.gz YDECFKWQKNLMCT-WOJBJXKFSA-N 1 1 393.535 3.318 20 30 GGEDMO CC[C@@H](c1ccncc1)[N@H+](CC)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000131506820 1416568319 /nfs/dbraw/zinc/56/83/19/1416568319.db2.gz ATPWZRXEFOQWRK-FQEVSTJZSA-N 1 1 391.475 3.148 20 30 GGEDMO CC[C@@H](c1ccncc1)[N@@H+](CC)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000131506820 1416568323 /nfs/dbraw/zinc/56/83/23/1416568323.db2.gz ATPWZRXEFOQWRK-FQEVSTJZSA-N 1 1 391.475 3.148 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000178570776 1429109795 /nfs/dbraw/zinc/10/97/95/1429109795.db2.gz FIFBSGIIZSPWKH-KRWDZBQOSA-N 1 1 377.492 3.199 20 30 GGEDMO C[N@H+](Cc1ccccc1N1CCCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000131641518 1416588828 /nfs/dbraw/zinc/58/88/28/1416588828.db2.gz XQKNYHJPBANBOS-IBGZPJMESA-N 1 1 380.517 3.457 20 30 GGEDMO C[N@@H+](Cc1ccccc1N1CCCC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000131641518 1416588832 /nfs/dbraw/zinc/58/88/32/1416588832.db2.gz XQKNYHJPBANBOS-IBGZPJMESA-N 1 1 380.517 3.457 20 30 GGEDMO N#Cc1ccccc1-c1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000131653945 1416591105 /nfs/dbraw/zinc/59/11/05/1416591105.db2.gz IBUPGRMCPRWEPT-IBGZPJMESA-N 1 1 377.488 3.192 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000178574121 1429110876 /nfs/dbraw/zinc/11/08/76/1429110876.db2.gz IBGTXZAXKYQSAA-KRWDZBQOSA-N 1 1 377.492 3.199 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131749988 1416611446 /nfs/dbraw/zinc/61/14/46/1416611446.db2.gz OPNLKRGWEIUNEU-LSDHHAIUSA-N 1 1 391.899 3.056 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1C ZINC000131819094 1416628015 /nfs/dbraw/zinc/62/80/15/1416628015.db2.gz GLGKPWJVUQWNGU-FQEVSTJZSA-N 1 1 378.476 3.098 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1C ZINC000131819094 1416628018 /nfs/dbraw/zinc/62/80/18/1416628018.db2.gz GLGKPWJVUQWNGU-FQEVSTJZSA-N 1 1 378.476 3.098 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1C ZINC000131819336 1416628416 /nfs/dbraw/zinc/62/84/16/1416628416.db2.gz GLGKPWJVUQWNGU-HXUWFJFHSA-N 1 1 378.476 3.098 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1C ZINC000131819336 1416628424 /nfs/dbraw/zinc/62/84/24/1416628424.db2.gz GLGKPWJVUQWNGU-HXUWFJFHSA-N 1 1 378.476 3.098 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1C ZINC000131821759 1416629169 /nfs/dbraw/zinc/62/91/69/1416629169.db2.gz XKJGOMTUCYAUCW-HXUWFJFHSA-N 1 1 399.535 3.068 20 30 GGEDMO Cc1cc(C#N)ccc1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000178592095 1429115948 /nfs/dbraw/zinc/11/59/48/1429115948.db2.gz NHIKWNBRONXLNY-ROUUACIJSA-N 1 1 377.488 3.406 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000131977931 1416665198 /nfs/dbraw/zinc/66/51/98/1416665198.db2.gz MWHUQUDGCQVCDX-LEWJYISDSA-N 1 1 395.503 3.398 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132226851 1416720330 /nfs/dbraw/zinc/72/03/30/1416720330.db2.gz SBGHXIZBCSMBHQ-NQIIRXRSSA-N 1 1 377.488 3.449 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000132234365 1416721560 /nfs/dbraw/zinc/72/15/60/1416721560.db2.gz IGHADWVXJYQZKD-DLBZAZTESA-N 1 1 388.537 3.124 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000178637063 1429126177 /nfs/dbraw/zinc/12/61/77/1429126177.db2.gz GWGAWUMYYFERNN-QGZVFWFLSA-N 1 1 384.524 3.230 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000132421400 1416757181 /nfs/dbraw/zinc/75/71/81/1416757181.db2.gz IJFYGFCBNZHTFZ-NQIIRXRSSA-N 1 1 377.488 3.449 20 30 GGEDMO C=C[C@H](CC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000132517198 1416776833 /nfs/dbraw/zinc/77/68/33/1416776833.db2.gz GKEGBDLWRSCBLZ-OAQYLSRUSA-N 1 1 397.563 3.139 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)Cc2cccnc2)c1C#N ZINC000132573818 1416787140 /nfs/dbraw/zinc/78/71/40/1416787140.db2.gz HCFMWSANEJNQHX-UHFFFAOYSA-N 1 1 391.475 3.474 20 30 GGEDMO O=C(Nc1ccccc1C#Cc1ccccc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000132654016 1416800310 /nfs/dbraw/zinc/80/03/10/1416800310.db2.gz GMRYWIIIDPPIRQ-NRFANRHFSA-N 1 1 389.499 3.272 20 30 GGEDMO CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000132815124 1416818699 /nfs/dbraw/zinc/81/86/99/1416818699.db2.gz QECCHZQGZSGCCK-JOCHJYFZSA-N 1 1 393.487 3.233 20 30 GGEDMO CCOc1ccc(N(CCC#N)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000132815124 1416818703 /nfs/dbraw/zinc/81/87/03/1416818703.db2.gz QECCHZQGZSGCCK-JOCHJYFZSA-N 1 1 393.487 3.233 20 30 GGEDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000132825011 1416819669 /nfs/dbraw/zinc/81/96/69/1416819669.db2.gz XIZDJBFWSJOUKB-IBGZPJMESA-N 1 1 387.430 3.276 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)C1 ZINC000132921134 1416831628 /nfs/dbraw/zinc/83/16/28/1416831628.db2.gz FHETXWIBXMZLSS-NRSPTQNISA-N 1 1 386.540 3.468 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c1C#N ZINC000133007921 1416841366 /nfs/dbraw/zinc/84/13/66/1416841366.db2.gz LBGFVCFBCKNZRK-QRWLVFNGSA-N 1 1 398.507 3.039 20 30 GGEDMO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133102123 1416852404 /nfs/dbraw/zinc/85/24/04/1416852404.db2.gz YQBNXZMFNVWUOH-XNXCICMWSA-N 1 1 397.425 3.442 20 30 GGEDMO C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133102123 1416852407 /nfs/dbraw/zinc/85/24/07/1416852407.db2.gz YQBNXZMFNVWUOH-XNXCICMWSA-N 1 1 397.425 3.442 20 30 GGEDMO Cc1cccc(NC(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1C#N ZINC000133604826 1416916957 /nfs/dbraw/zinc/91/69/57/1416916957.db2.gz QOJMOILTPMOOGQ-UHFFFAOYSA-N 1 1 376.460 3.081 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000133615739 1416921156 /nfs/dbraw/zinc/92/11/56/1416921156.db2.gz SQRNVDKBNCXKSA-UHFFFAOYSA-N 1 1 376.460 3.081 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C[C@@H]1COc2ccccc2O1 ZINC000178695780 1429143484 /nfs/dbraw/zinc/14/34/84/1429143484.db2.gz DYGIMYYORXUEDJ-MRXNPFEDSA-N 1 1 383.448 3.259 20 30 GGEDMO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C[C@@H]1COc2ccccc2O1 ZINC000178695780 1429143499 /nfs/dbraw/zinc/14/34/99/1429143499.db2.gz DYGIMYYORXUEDJ-MRXNPFEDSA-N 1 1 383.448 3.259 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(C)C 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3.109 20 30 GGEDMO C[NH+]=C(NCc1ccco1)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134475819 1417074350 /nfs/dbraw/zinc/07/43/50/1417074350.db2.gz HSBRGYHRZCWULA-KBXCAEBGSA-N 1 1 378.879 3.430 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000134622226 1417099182 /nfs/dbraw/zinc/09/91/82/1417099182.db2.gz DDUKORQGEIITTA-RDJZCZTQSA-N 1 1 386.496 3.264 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000134639678 1417103096 /nfs/dbraw/zinc/10/30/96/1417103096.db2.gz MMKRTUMMXHZFJN-UKRRQHHQSA-N 1 1 392.525 3.326 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000134649614 1417105231 /nfs/dbraw/zinc/10/52/31/1417105231.db2.gz JHSFHJBPROQJKN-IAGOWNOFSA-N 1 1 392.544 3.049 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000134649614 1417105235 /nfs/dbraw/zinc/10/52/35/1417105235.db2.gz JHSFHJBPROQJKN-IAGOWNOFSA-N 1 1 392.544 3.049 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000134650820 1417105344 /nfs/dbraw/zinc/10/53/44/1417105344.db2.gz ANDVBSMKMLJANK-MAUKXSAKSA-N 1 1 386.496 3.264 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000134650840 1417105381 /nfs/dbraw/zinc/10/53/81/1417105381.db2.gz ANDVBSMKMLJANK-QAPCUYQASA-N 1 1 386.496 3.264 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000134664480 1417108983 /nfs/dbraw/zinc/10/89/83/1417108983.db2.gz AIPHNKOXCLBBMU-YOEHRIQHSA-N 1 1 397.479 3.486 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000134664480 1417108991 /nfs/dbraw/zinc/10/89/91/1417108991.db2.gz AIPHNKOXCLBBMU-YOEHRIQHSA-N 1 1 397.479 3.486 20 30 GGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000178729238 1429153382 /nfs/dbraw/zinc/15/33/82/1429153382.db2.gz KZPIHUDISKQLRM-HXUWFJFHSA-N 1 1 397.567 3.148 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134772544 1417123315 /nfs/dbraw/zinc/12/33/15/1417123315.db2.gz RNQOTTNDPWEEJK-KBMWQNTOSA-N 1 1 375.488 3.157 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134928428 1417147001 /nfs/dbraw/zinc/14/70/01/1417147001.db2.gz KDWJWLBPWRSIIU-JBYIUTFZSA-N 1 1 398.526 3.410 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134929846 1417147238 /nfs/dbraw/zinc/14/72/38/1417147238.db2.gz BAEIUCJEVWWBAG-LAUBAEHRSA-N 1 1 393.535 3.125 20 30 GGEDMO C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000134985304 1417157209 /nfs/dbraw/zinc/15/72/09/1417157209.db2.gz NWWGINAFTXCVPH-UZLBHIALSA-N 1 1 395.528 3.299 20 30 GGEDMO C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134985304 1417157224 /nfs/dbraw/zinc/15/72/24/1417157224.db2.gz NWWGINAFTXCVPH-UZLBHIALSA-N 1 1 395.528 3.299 20 30 GGEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000135108674 1417173077 /nfs/dbraw/zinc/17/30/77/1417173077.db2.gz ULRDQDOSKXAMSW-UHFFFAOYSA-N 1 1 382.552 3.008 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1C#N ZINC000135174467 1417181328 /nfs/dbraw/zinc/18/13/28/1417181328.db2.gz KKGNZFJHFICQQO-HNNXBMFYSA-N 1 1 384.867 3.466 20 30 GGEDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3OCC#N)CC2)c1 ZINC000135247581 1417196020 /nfs/dbraw/zinc/19/60/20/1417196020.db2.gz BPHKPKVIACZXRF-UHFFFAOYSA-N 1 1 382.439 3.386 20 30 GGEDMO C[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)[N@H+]1CCc2ccccc2C1 ZINC000135262985 1417199146 /nfs/dbraw/zinc/19/91/46/1417199146.db2.gz YOPHRIZFFBJEHO-OAHLLOKOSA-N 1 1 382.439 3.296 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOCC23CCC3)c1C#N ZINC000135493159 1417228191 /nfs/dbraw/zinc/22/81/91/1417228191.db2.gz KVSQOAXQBRMVBK-UHFFFAOYSA-N 1 1 396.491 3.201 20 30 GGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000135720151 1417261745 /nfs/dbraw/zinc/26/17/45/1417261745.db2.gz SISQKCHTXNFENB-NRFANRHFSA-N 1 1 395.528 3.225 20 30 GGEDMO C=CCCOCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000135905731 1417277274 /nfs/dbraw/zinc/27/72/74/1417277274.db2.gz QXQGNHXZFINZLF-YJBOKZPZSA-N 1 1 383.895 3.364 20 30 GGEDMO N#CCCn1cc(C[NH+]2CCN(Cc3ccccn3)CC2)c(-c2ccccc2)n1 ZINC000135935369 1417279731 /nfs/dbraw/zinc/27/97/31/1417279731.db2.gz MZCDVGRSZNKQSE-UHFFFAOYSA-N 1 1 386.503 3.177 20 30 GGEDMO C[N@H+](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H]1CCSC1 ZINC000137075769 1417366611 /nfs/dbraw/zinc/36/66/11/1417366611.db2.gz UUWJRNNOUDFPJW-IBGZPJMESA-N 1 1 394.500 3.186 20 30 GGEDMO C[N@@H+](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@H]1CCSC1 ZINC000137075769 1417366613 /nfs/dbraw/zinc/36/66/13/1417366613.db2.gz UUWJRNNOUDFPJW-IBGZPJMESA-N 1 1 394.500 3.186 20 30 GGEDMO CCOc1ccccc1NC(=O)CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000137546330 1417390121 /nfs/dbraw/zinc/39/01/21/1417390121.db2.gz ZZJGQDCSYCCZTQ-NRFANRHFSA-N 1 1 392.503 3.296 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000137572749 1417390923 /nfs/dbraw/zinc/39/09/23/1417390923.db2.gz BWRVWVFFCQQSNH-NRFANRHFSA-N 1 1 390.483 3.137 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCO[C@H](C)[C@@H]2C)c1C#N ZINC000139194608 1417451287 /nfs/dbraw/zinc/45/12/87/1417451287.db2.gz JXAALMKYOUOUJX-DLBZAZTESA-N 1 1 384.480 3.056 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000139852096 1417477829 /nfs/dbraw/zinc/47/78/29/1417477829.db2.gz UZWLMASPQCXTKI-QAPCUYQASA-N 1 1 386.565 3.243 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139964725 1417483125 /nfs/dbraw/zinc/48/31/25/1417483125.db2.gz QAGCJVRGRGBCQO-ZHALLVOQSA-N 1 1 386.565 3.293 20 30 GGEDMO C[NH+](C)CCCCCCCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000140165620 1417490014 /nfs/dbraw/zinc/49/00/14/1417490014.db2.gz FPPJTPPCSAAPMD-UHFFFAOYSA-N 1 1 399.583 3.288 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000141038918 1417525119 /nfs/dbraw/zinc/52/51/19/1417525119.db2.gz PAZJZTQOCXCMND-XJKSGUPXSA-N 1 1 390.471 3.286 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000141039104 1417525511 /nfs/dbraw/zinc/52/55/11/1417525511.db2.gz PAZJZTQOCXCMND-CZUORRHYSA-N 1 1 390.471 3.286 20 30 GGEDMO C=CCc1cc(C[NH+]2CCN(C(=O)c3ccc(OC)cc3)CC2)c(O)c(OC)c1 ZINC000178850890 1429195176 /nfs/dbraw/zinc/19/51/76/1429195176.db2.gz NZFGIKBCSDBECI-UHFFFAOYSA-N 1 1 396.487 3.096 20 30 GGEDMO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000150762685 1417802282 /nfs/dbraw/zinc/80/22/82/1417802282.db2.gz CULRDGNYBJUVOB-GOSISDBHSA-N 1 1 396.487 3.273 20 30 GGEDMO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000150762685 1417802283 /nfs/dbraw/zinc/80/22/83/1417802283.db2.gz CULRDGNYBJUVOB-GOSISDBHSA-N 1 1 396.487 3.273 20 30 GGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000150875159 1417825861 /nfs/dbraw/zinc/82/58/61/1417825861.db2.gz SDDBKPDNPBKIPW-SFHVURJKSA-N 1 1 384.524 3.490 20 30 GGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000151067012 1417866096 /nfs/dbraw/zinc/86/60/96/1417866096.db2.gz ZACBOSNINXJAHS-UHFFFAOYSA-N 1 1 375.469 3.016 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000151112984 1417874489 /nfs/dbraw/zinc/87/44/89/1417874489.db2.gz HKQQNXUCUMCJKC-CTNGQTDRSA-N 1 1 381.520 3.292 20 30 GGEDMO CC[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151508809 1418007995 /nfs/dbraw/zinc/00/79/95/1418007995.db2.gz GPEJHPKFDTUMSM-WOJBJXKFSA-N 1 1 399.441 3.246 20 30 GGEDMO CC[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151508809 1418008002 /nfs/dbraw/zinc/00/80/02/1418008002.db2.gz GPEJHPKFDTUMSM-WOJBJXKFSA-N 1 1 399.441 3.246 20 30 GGEDMO CC[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151508663 1418008354 /nfs/dbraw/zinc/00/83/54/1418008354.db2.gz GPEJHPKFDTUMSM-UXHICEINSA-N 1 1 399.441 3.246 20 30 GGEDMO CC[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151508663 1418008360 /nfs/dbraw/zinc/00/83/60/1418008360.db2.gz GPEJHPKFDTUMSM-UXHICEINSA-N 1 1 399.441 3.246 20 30 GGEDMO CN(C(=O)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151808068 1418092104 /nfs/dbraw/zinc/09/21/04/1418092104.db2.gz FAEJMTAHMFHGBK-LJQANCHMSA-N 1 1 382.508 3.265 20 30 GGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CC1(O)CCCC1 ZINC000152005190 1418118003 /nfs/dbraw/zinc/11/80/03/1418118003.db2.gz DPSIPTKIVJCZSX-AWEZNQCLSA-N 1 1 375.538 3.453 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CC2(O)CCCC2)c1C#N ZINC000152063404 1418134553 /nfs/dbraw/zinc/13/45/53/1418134553.db2.gz RFIKAWUIZNUHPR-UHFFFAOYSA-N 1 1 398.507 3.183 20 30 GGEDMO COCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000179353623 1429340418 /nfs/dbraw/zinc/34/04/18/1429340418.db2.gz KNTWLSCTZNSQPG-CTNGQTDRSA-N 1 1 387.524 3.066 20 30 GGEDMO COCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000179353623 1429340426 /nfs/dbraw/zinc/34/04/26/1429340426.db2.gz KNTWLSCTZNSQPG-CTNGQTDRSA-N 1 1 387.524 3.066 20 30 GGEDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1sccc1C#N ZINC000179396343 1429358213 /nfs/dbraw/zinc/35/82/13/1429358213.db2.gz HFHFBRVXAPCHCY-UHFFFAOYSA-N 1 1 383.521 3.192 20 30 GGEDMO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000179424327 1429370009 /nfs/dbraw/zinc/37/00/09/1429370009.db2.gz PPZMVVIAJKXTBP-UHFFFAOYSA-N 1 1 392.503 3.003 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496605 1429394884 /nfs/dbraw/zinc/39/48/84/1429394884.db2.gz MESJCGUKBCIKJA-RBUKOAKNSA-N 1 1 382.508 3.030 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179496605 1429394893 /nfs/dbraw/zinc/39/48/93/1429394893.db2.gz MESJCGUKBCIKJA-RBUKOAKNSA-N 1 1 382.508 3.030 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179496605 1429394901 /nfs/dbraw/zinc/39/49/01/1429394901.db2.gz MESJCGUKBCIKJA-RBUKOAKNSA-N 1 1 382.508 3.030 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179557540 1429430981 /nfs/dbraw/zinc/43/09/81/1429430981.db2.gz VHSIBJLDRRBLMG-IBGZPJMESA-N 1 1 396.878 3.103 20 30 GGEDMO Cn1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000179624753 1429476104 /nfs/dbraw/zinc/47/61/04/1429476104.db2.gz PVTKYSWFGSUNDP-UHFFFAOYSA-N 1 1 399.498 3.307 20 30 GGEDMO Cn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000179624753 1429476109 /nfs/dbraw/zinc/47/61/09/1429476109.db2.gz PVTKYSWFGSUNDP-UHFFFAOYSA-N 1 1 399.498 3.307 20 30 GGEDMO COc1ccc(OC)c(CN2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000179637816 1429484163 /nfs/dbraw/zinc/48/41/63/1429484163.db2.gz MGBZLFUJEHITKC-GOSISDBHSA-N 1 1 395.503 3.312 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000152327126 1422073940 /nfs/dbraw/zinc/07/39/40/1422073940.db2.gz NITXADFNXHKIFE-JPYJTQIMSA-N 1 1 390.531 3.452 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC3(O)CCCC3)sc2C1 ZINC000152425293 1422100241 /nfs/dbraw/zinc/10/02/41/1422100241.db2.gz VGTYCJDDFCGZMD-AWEZNQCLSA-N 1 1 375.538 3.310 20 30 GGEDMO C#CCOc1cc(F)ccc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000152551097 1422139418 /nfs/dbraw/zinc/13/94/18/1422139418.db2.gz MPSSAWPBVXQCPG-UHFFFAOYSA-N 1 1 387.480 3.453 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000152576765 1422150664 /nfs/dbraw/zinc/15/06/64/1422150664.db2.gz ZKHCYDBKHJGVLU-RDTXWAMCSA-N 1 1 398.482 3.279 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000152781092 1422245917 /nfs/dbraw/zinc/24/59/17/1422245917.db2.gz LPKOBILJTVJHHO-INIZCTEOSA-N 1 1 393.528 3.363 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000152793551 1422250365 /nfs/dbraw/zinc/25/03/65/1422250365.db2.gz IBFLODODHWFGRZ-GOSISDBHSA-N 1 1 389.565 3.365 20 30 GGEDMO C#CCOc1ccc(F)cc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000152959599 1422307673 /nfs/dbraw/zinc/30/76/73/1422307673.db2.gz YBGAKXIPAOPPHG-UHFFFAOYSA-N 1 1 387.480 3.453 20 30 GGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000152969014 1422311265 /nfs/dbraw/zinc/31/12/65/1422311265.db2.gz ZLUNNRUDZKSXJA-GOSISDBHSA-N 1 1 393.597 3.408 20 30 GGEDMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(N2CCOCC2)cc1 ZINC000152989731 1422318984 /nfs/dbraw/zinc/31/89/84/1422318984.db2.gz WJDFIPYBWFVDMF-UHFFFAOYSA-N 1 1 398.894 3.119 20 30 GGEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(N2CCOCC2)cc1 ZINC000152989731 1422318993 /nfs/dbraw/zinc/31/89/93/1422318993.db2.gz WJDFIPYBWFVDMF-UHFFFAOYSA-N 1 1 398.894 3.119 20 30 GGEDMO CCCOc1ccc2c(c1)CC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000153215277 1422396477 /nfs/dbraw/zinc/39/64/77/1422396477.db2.gz BLYKMBWPTCSPSF-NRFANRHFSA-N 1 1 380.488 3.339 20 30 GGEDMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153265836 1422427753 /nfs/dbraw/zinc/42/77/53/1422427753.db2.gz HRPLDBKHPMDHRL-JTQLQIEISA-N 1 1 395.294 3.062 20 30 GGEDMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153274081 1422432963 /nfs/dbraw/zinc/43/29/63/1422432963.db2.gz WBXMVAAJHJFUTI-OAHLLOKOSA-N 1 1 382.512 3.187 20 30 GGEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000153308111 1422458739 /nfs/dbraw/zinc/45/87/39/1422458739.db2.gz MOKKIMJCTFJCTA-UHFFFAOYSA-N 1 1 385.414 3.193 20 30 GGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000153308111 1422458759 /nfs/dbraw/zinc/45/87/59/1422458759.db2.gz MOKKIMJCTFJCTA-UHFFFAOYSA-N 1 1 385.414 3.193 20 30 GGEDMO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccc(F)cc1 ZINC000153319530 1422467609 /nfs/dbraw/zinc/46/76/09/1422467609.db2.gz KXGSJRQJDUQVEN-UHFFFAOYSA-N 1 1 388.468 3.437 20 30 GGEDMO Cc1c(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cnn1-c1cc[nH+]cc1 ZINC000153581187 1422631511 /nfs/dbraw/zinc/63/15/11/1422631511.db2.gz POHCUZZMYLVBDD-UHFFFAOYSA-N 1 1 384.361 3.376 20 30 GGEDMO C[C@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000153612989 1422649255 /nfs/dbraw/zinc/64/92/55/1422649255.db2.gz GQHAJISRXWVUDD-WQEJZQBCSA-N 1 1 389.402 3.179 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153679721 1422700036 /nfs/dbraw/zinc/70/00/36/1422700036.db2.gz GBGPWRZKAXRZTB-QUCCMNQESA-N 1 1 397.519 3.201 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153685348 1422701568 /nfs/dbraw/zinc/70/15/68/1422701568.db2.gz HPQGTGKOAWEYKH-QFIPXVFZSA-N 1 1 396.491 3.059 20 30 GGEDMO C=C[C@H](CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000153698597 1422709705 /nfs/dbraw/zinc/70/97/05/1422709705.db2.gz LICDWHWDWWAJNH-JOCHJYFZSA-N 1 1 377.532 3.410 20 30 GGEDMO COC(=O)[C@@H](C)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000153753054 1422737833 /nfs/dbraw/zinc/73/78/33/1422737833.db2.gz PSADPLYMYRQFJF-ZDUSSCGKSA-N 1 1 389.521 3.101 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153858908 1422800190 /nfs/dbraw/zinc/80/01/90/1422800190.db2.gz KGGSLXDEJJASAJ-JOCHJYFZSA-N 1 1 396.466 3.156 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153858908 1422800193 /nfs/dbraw/zinc/80/01/93/1422800193.db2.gz KGGSLXDEJJASAJ-JOCHJYFZSA-N 1 1 396.466 3.156 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153858793 1422800206 /nfs/dbraw/zinc/80/02/06/1422800206.db2.gz KGGSLXDEJJASAJ-QFIPXVFZSA-N 1 1 396.466 3.156 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153858793 1422800207 /nfs/dbraw/zinc/80/02/07/1422800207.db2.gz KGGSLXDEJJASAJ-QFIPXVFZSA-N 1 1 396.466 3.156 20 30 GGEDMO Cc1cc(N2CCC[C@@H](OC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)nc(C)[nH+]1 ZINC000154015699 1422825741 /nfs/dbraw/zinc/82/57/41/1422825741.db2.gz XHTUJAQLXAPYAH-LJQANCHMSA-N 1 1 394.475 3.335 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000154014144 1422825757 /nfs/dbraw/zinc/82/57/57/1422825757.db2.gz RHJBPTGZLYLJEJ-KNQAVFIVSA-N 1 1 392.503 3.487 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000154014144 1422825758 /nfs/dbraw/zinc/82/57/58/1422825758.db2.gz RHJBPTGZLYLJEJ-KNQAVFIVSA-N 1 1 392.503 3.487 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000154014212 1422825796 /nfs/dbraw/zinc/82/57/96/1422825796.db2.gz RHJBPTGZLYLJEJ-UGKGYDQZSA-N 1 1 392.503 3.487 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000154014212 1422825798 /nfs/dbraw/zinc/82/57/98/1422825798.db2.gz RHJBPTGZLYLJEJ-UGKGYDQZSA-N 1 1 392.503 3.487 20 30 GGEDMO C=C[C@H](CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccccc1 ZINC000154306922 1422870288 /nfs/dbraw/zinc/87/02/88/1422870288.db2.gz CQWLEDNVSAXDFE-MZYLBHOOSA-N 1 1 378.516 3.346 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOC3(CCC3)C2)c1C#N ZINC000154347987 1422876415 /nfs/dbraw/zinc/87/64/15/1422876415.db2.gz PCBJJDKFJRLUFL-UHFFFAOYSA-N 1 1 396.491 3.201 20 30 GGEDMO CCNC(=O)COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000154386244 1422882421 /nfs/dbraw/zinc/88/24/21/1422882421.db2.gz BQRVSZXLHFFJAU-UHFFFAOYSA-N 1 1 395.503 3.492 20 30 GGEDMO C[N@@H+](CCOCc1ccccc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000154538929 1422912501 /nfs/dbraw/zinc/91/25/01/1422912501.db2.gz XWKHWIQNYRAGDT-IBGZPJMESA-N 1 1 386.455 3.372 20 30 GGEDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000154559178 1422930019 /nfs/dbraw/zinc/93/00/19/1422930019.db2.gz CQCFCRZMAYBVHS-UHFFFAOYSA-N 1 1 381.476 3.104 20 30 GGEDMO Cc1cccc(NC(=O)N2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)c1 ZINC000154598281 1422953770 /nfs/dbraw/zinc/95/37/70/1422953770.db2.gz GBZRIWCPHNKDOF-UHFFFAOYSA-N 1 1 378.476 3.485 20 30 GGEDMO CC[N@@H+]1CCc2nc(NC(=O)CCCC(=O)Nc3ccccc3C#N)sc2C1 ZINC000154687029 1423001129 /nfs/dbraw/zinc/00/11/29/1423001129.db2.gz ZMTYENOFSJLAMZ-UHFFFAOYSA-N 1 1 397.504 3.140 20 30 GGEDMO CC[N@H+]1CCc2nc(NC(=O)CCCC(=O)Nc3ccccc3C#N)sc2C1 ZINC000154687029 1423001135 /nfs/dbraw/zinc/00/11/35/1423001135.db2.gz ZMTYENOFSJLAMZ-UHFFFAOYSA-N 1 1 397.504 3.140 20 30 GGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000154735888 1423015656 /nfs/dbraw/zinc/01/56/56/1423015656.db2.gz UHYCGDMVONSDHH-SFHVURJKSA-N 1 1 384.524 3.295 20 30 GGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000154804621 1423038857 /nfs/dbraw/zinc/03/88/57/1423038857.db2.gz DKPCXTPUVYWIFV-QGZVFWFLSA-N 1 1 384.524 3.294 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000154954032 1423090141 /nfs/dbraw/zinc/09/01/41/1423090141.db2.gz KIHLTFDDSSRTMM-OKILXGFUSA-N 1 1 390.915 3.023 20 30 GGEDMO C=CCN(C)Cn1nc([C@@H](CC)[NH+](C)C)n(-c2ccc(OC)cc2)c1=S ZINC000154978313 1423098197 /nfs/dbraw/zinc/09/81/97/1423098197.db2.gz IRVAQQJTTNHSHA-QGZVFWFLSA-N 1 1 375.542 3.500 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000155106684 1423167894 /nfs/dbraw/zinc/16/78/94/1423167894.db2.gz GDISFCXJZMFTCW-XLIONFOSSA-N 1 1 379.460 3.287 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179892437 1429627480 /nfs/dbraw/zinc/62/74/80/1429627480.db2.gz NCTOEMHMZFXSQW-LJQANCHMSA-N 1 1 397.486 3.381 20 30 GGEDMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000155261841 1423283096 /nfs/dbraw/zinc/28/30/96/1423283096.db2.gz PLHNLTOVLRSRCL-QFIPXVFZSA-N 1 1 387.487 3.468 20 30 GGEDMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000155261958 1423283198 /nfs/dbraw/zinc/28/31/98/1423283198.db2.gz PLHNLTOVLRSRCL-JOCHJYFZSA-N 1 1 387.487 3.468 20 30 GGEDMO Cc1nc(CN2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cs1 ZINC000179899520 1429630859 /nfs/dbraw/zinc/63/08/59/1429630859.db2.gz PMTAMXAGROYXHP-UHFFFAOYSA-N 1 1 392.532 3.042 20 30 GGEDMO Cn1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179923539 1429643133 /nfs/dbraw/zinc/64/31/33/1429643133.db2.gz YEVVWTJPZYAMKG-UHFFFAOYSA-N 1 1 377.414 3.029 20 30 GGEDMO Cn1cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179923539 1429643135 /nfs/dbraw/zinc/64/31/35/1429643135.db2.gz YEVVWTJPZYAMKG-UHFFFAOYSA-N 1 1 377.414 3.029 20 30 GGEDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000155531063 1423402623 /nfs/dbraw/zinc/40/26/23/1423402623.db2.gz AGCQKZFOGOQQTM-HXUWFJFHSA-N 1 1 377.488 3.485 20 30 GGEDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000155534758 1423404770 /nfs/dbraw/zinc/40/47/70/1423404770.db2.gz UOINHUYUDPXKBV-JOCHJYFZSA-N 1 1 377.488 3.485 20 30 GGEDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000155534647 1423404877 /nfs/dbraw/zinc/40/48/77/1423404877.db2.gz UOINHUYUDPXKBV-QFIPXVFZSA-N 1 1 377.488 3.485 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000155539604 1423408372 /nfs/dbraw/zinc/40/83/72/1423408372.db2.gz MAANDFFURNZBPY-GOSISDBHSA-N 1 1 387.524 3.064 20 30 GGEDMO COC(=O)CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000155627104 1423454537 /nfs/dbraw/zinc/45/45/37/1423454537.db2.gz KXXZNQUZSYVSFF-UHFFFAOYSA-N 1 1 379.460 3.342 20 30 GGEDMO Cc1csc(N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)n1 ZINC000179931810 1429648376 /nfs/dbraw/zinc/64/83/76/1429648376.db2.gz WUZDOGNZMRDQGK-UHFFFAOYSA-N 1 1 378.505 3.046 20 30 GGEDMO Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c(C#N)c1C ZINC000155979252 1423618100 /nfs/dbraw/zinc/61/81/00/1423618100.db2.gz KMMAARRAHZRBKP-IBGZPJMESA-N 1 1 383.517 3.448 20 30 GGEDMO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)CC1 ZINC000156114307 1423678018 /nfs/dbraw/zinc/67/80/18/1423678018.db2.gz VAWGWNUHOXORQJ-UHFFFAOYSA-N 1 1 385.471 3.422 20 30 GGEDMO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[nH]3)cc2)CC1 ZINC000156114307 1423678028 /nfs/dbraw/zinc/67/80/28/1423678028.db2.gz VAWGWNUHOXORQJ-UHFFFAOYSA-N 1 1 385.471 3.422 20 30 GGEDMO N#CCCN(Cc1ccco1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000156114541 1423678515 /nfs/dbraw/zinc/67/85/15/1423678515.db2.gz IEAVESCQSHVCNC-UHFFFAOYSA-N 1 1 382.464 3.102 20 30 GGEDMO CCOCCC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000156452445 1423811914 /nfs/dbraw/zinc/81/19/14/1423811914.db2.gz MRXKUEMLTTZRPS-UHFFFAOYSA-N 1 1 398.551 3.372 20 30 GGEDMO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000156486761 1423816965 /nfs/dbraw/zinc/81/69/65/1423816965.db2.gz YVPUBURLKRHZLK-GCJKJVERSA-N 1 1 393.487 3.009 20 30 GGEDMO COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000156487006 1423817045 /nfs/dbraw/zinc/81/70/45/1423817045.db2.gz YVPUBURLKRHZLK-XMSQKQJNSA-N 1 1 393.487 3.009 20 30 GGEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000156506540 1423820290 /nfs/dbraw/zinc/82/02/90/1423820290.db2.gz RBJYLXVGANHXMR-OAHLLOKOSA-N 1 1 396.491 3.319 20 30 GGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000156506540 1423820296 /nfs/dbraw/zinc/82/02/96/1423820296.db2.gz RBJYLXVGANHXMR-OAHLLOKOSA-N 1 1 396.491 3.319 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000156895841 1423882150 /nfs/dbraw/zinc/88/21/50/1423882150.db2.gz YYLZHVUJFUCSLO-NRFANRHFSA-N 1 1 396.535 3.267 20 30 GGEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1O ZINC000156918546 1423886008 /nfs/dbraw/zinc/88/60/08/1423886008.db2.gz GYRGFFPBZAOTRO-OAHLLOKOSA-N 1 1 385.439 3.307 20 30 GGEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1O ZINC000156918546 1423886010 /nfs/dbraw/zinc/88/60/10/1423886010.db2.gz GYRGFFPBZAOTRO-OAHLLOKOSA-N 1 1 385.439 3.307 20 30 GGEDMO C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000156920784 1423886132 /nfs/dbraw/zinc/88/61/32/1423886132.db2.gz LEDDAXIMSVXUJK-XOBRGWDASA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156920784 1423886133 /nfs/dbraw/zinc/88/61/33/1423886133.db2.gz LEDDAXIMSVXUJK-XOBRGWDASA-N 1 1 399.878 3.453 20 30 GGEDMO N#Cc1ccc(NCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000156953146 1423892444 /nfs/dbraw/zinc/89/24/44/1423892444.db2.gz VMZPNYDMUZPCIO-GMAHTHKFSA-N 1 1 388.515 3.483 20 30 GGEDMO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156966319 1423894059 /nfs/dbraw/zinc/89/40/59/1423894059.db2.gz WBGXHTFIFWXUNB-XMSQKQJNSA-N 1 1 376.504 3.482 20 30 GGEDMO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156966772 1423894513 /nfs/dbraw/zinc/89/45/13/1423894513.db2.gz WBGXHTFIFWXUNB-AVRDEDQJSA-N 1 1 376.504 3.482 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156966640 1423894562 /nfs/dbraw/zinc/89/45/62/1423894562.db2.gz WBGXHTFIFWXUNB-GCJKJVERSA-N 1 1 376.504 3.482 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000156997008 1423899624 /nfs/dbraw/zinc/89/96/24/1423899624.db2.gz YTOHNWIZOYLMJR-JXFKEZNVSA-N 1 1 377.916 3.485 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000156997008 1423899626 /nfs/dbraw/zinc/89/96/26/1423899626.db2.gz YTOHNWIZOYLMJR-JXFKEZNVSA-N 1 1 377.916 3.485 20 30 GGEDMO C[C@H]1C[C@H](N(C)CC(=O)NC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157002863 1423900318 /nfs/dbraw/zinc/90/03/18/1423900318.db2.gz YWGVMSJVCWWXEC-PZJWPPBQSA-N 1 1 382.552 3.314 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1)C1CC1 ZINC000157049344 1423911271 /nfs/dbraw/zinc/91/12/71/1423911271.db2.gz UISJRIDTWRLMIB-YWZLYKJASA-N 1 1 375.900 3.239 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1)C1CC1 ZINC000157049344 1423911275 /nfs/dbraw/zinc/91/12/75/1423911275.db2.gz UISJRIDTWRLMIB-YWZLYKJASA-N 1 1 375.900 3.239 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157089950 1423922387 /nfs/dbraw/zinc/92/23/87/1423922387.db2.gz GDJXZIWVWUDMNO-QGZVFWFLSA-N 1 1 388.899 3.087 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157089950 1423922392 /nfs/dbraw/zinc/92/23/92/1423922392.db2.gz GDJXZIWVWUDMNO-QGZVFWFLSA-N 1 1 388.899 3.087 20 30 GGEDMO Cc1oc(NC(=O)CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000157112654 1423928169 /nfs/dbraw/zinc/92/81/69/1423928169.db2.gz OOBZZXFLVTXTSX-LJQANCHMSA-N 1 1 380.492 3.303 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000157339642 1423988502 /nfs/dbraw/zinc/98/85/02/1423988502.db2.gz MNSLWIMTZRWSCM-YLJYHZDGSA-N 1 1 382.508 3.083 20 30 GGEDMO C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000157441709 1424012162 /nfs/dbraw/zinc/01/21/62/1424012162.db2.gz OTBBFYLKPFWWAN-BEFAXECRSA-N 1 1 381.501 3.158 20 30 GGEDMO C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157441709 1424012165 /nfs/dbraw/zinc/01/21/65/1424012165.db2.gz OTBBFYLKPFWWAN-BEFAXECRSA-N 1 1 381.501 3.158 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157470278 1424018555 /nfs/dbraw/zinc/01/85/55/1424018555.db2.gz KAADLHIVCYKCHS-SFHVURJKSA-N 1 1 399.535 3.449 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157549844 1424035709 /nfs/dbraw/zinc/03/57/09/1424035709.db2.gz LCLTYBJZNKGOMH-ICSRJNTNSA-N 1 1 382.435 3.032 20 30 GGEDMO Cc1cccc(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C#N ZINC000157560186 1424037624 /nfs/dbraw/zinc/03/76/24/1424037624.db2.gz GSGORUZRVQHOPQ-ZWKOTPCHSA-N 1 1 375.538 3.142 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000157583283 1424043025 /nfs/dbraw/zinc/04/30/25/1424043025.db2.gz ZDMHNCWIUPBORZ-UHFFFAOYSA-N 1 1 376.460 3.030 20 30 GGEDMO N#Cc1ccc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)nc1 ZINC000157627549 1424051715 /nfs/dbraw/zinc/05/17/15/1424051715.db2.gz CGFORUKYYDYFBT-UHFFFAOYSA-N 1 1 380.451 3.481 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000157647969 1424057053 /nfs/dbraw/zinc/05/70/53/1424057053.db2.gz WMLJZWHJXIOISB-UHFFFAOYSA-N 1 1 392.459 3.093 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000157647969 1424057055 /nfs/dbraw/zinc/05/70/55/1424057055.db2.gz WMLJZWHJXIOISB-UHFFFAOYSA-N 1 1 392.459 3.093 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180017370 1429694733 /nfs/dbraw/zinc/69/47/33/1429694733.db2.gz CQFQLRVRPADQJM-GOSISDBHSA-N 1 1 379.508 3.087 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000157726303 1424075015 /nfs/dbraw/zinc/07/50/15/1424075015.db2.gz LODXRHYRVSFZSH-GOSISDBHSA-N 1 1 382.504 3.270 20 30 GGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000157739435 1424078125 /nfs/dbraw/zinc/07/81/25/1424078125.db2.gz VVQDTHVZWHIIJT-OAHLLOKOSA-N 1 1 384.867 3.466 20 30 GGEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180019426 1429696550 /nfs/dbraw/zinc/69/65/50/1429696550.db2.gz LIJWYBLXHPVQBM-IBGZPJMESA-N 1 1 379.508 3.087 20 30 GGEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180019408 1429696749 /nfs/dbraw/zinc/69/67/49/1429696749.db2.gz LIJWYBLXHPVQBM-LJQANCHMSA-N 1 1 379.508 3.087 20 30 GGEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180020625 1429697061 /nfs/dbraw/zinc/69/70/61/1429697061.db2.gz OSGIQZXEESXBGW-XLIONFOSSA-N 1 1 393.535 3.476 20 30 GGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158059167 1424153352 /nfs/dbraw/zinc/15/33/52/1424153352.db2.gz GGSFICNDWWOSMX-KRWDZBQOSA-N 1 1 382.426 3.421 20 30 GGEDMO C=CCC[C@H]([NH2+]Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C)c1ccccc1 ZINC000180039727 1429708378 /nfs/dbraw/zinc/70/83/78/1429708378.db2.gz BJPUNUBLVFALOA-KRWDZBQOSA-N 1 1 395.507 3.021 20 30 GGEDMO C=CCC[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1C)c1ccccc1 ZINC000180039746 1429708478 /nfs/dbraw/zinc/70/84/78/1429708478.db2.gz BJPUNUBLVFALOA-QGZVFWFLSA-N 1 1 395.507 3.021 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000158142515 1424177778 /nfs/dbraw/zinc/17/77/78/1424177778.db2.gz FBOPZKVEDFYCFX-INIZCTEOSA-N 1 1 395.286 3.099 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000158188128 1424190047 /nfs/dbraw/zinc/19/00/47/1424190047.db2.gz MIKNDFFXDVUDAV-INIZCTEOSA-N 1 1 390.553 3.249 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000180035888 1429706415 /nfs/dbraw/zinc/70/64/15/1429706415.db2.gz RNJNPKMUPMHOPW-XSLAGTTESA-N 1 1 386.496 3.083 20 30 GGEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000158334540 1424228982 /nfs/dbraw/zinc/22/89/82/1424228982.db2.gz BGWBCIRUPGBDHM-UHFFFAOYSA-N 1 1 392.503 3.406 20 30 GGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc(OCC#N)c1 ZINC000158509045 1424275115 /nfs/dbraw/zinc/27/51/15/1424275115.db2.gz BRKRGMHOGSQUSZ-UHFFFAOYSA-N 1 1 380.492 3.299 20 30 GGEDMO C=CCc1cc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc(OC)c1OC ZINC000158750492 1424333983 /nfs/dbraw/zinc/33/39/83/1424333983.db2.gz IIVKSMUAWGJHRZ-UHFFFAOYSA-N 1 1 381.476 3.098 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)cn1 ZINC000180079269 1429727443 /nfs/dbraw/zinc/72/74/43/1429727443.db2.gz TUJNSKZLMONUFD-CQSZACIVSA-N 1 1 376.420 3.188 20 30 GGEDMO C=C[C@H](CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000159271479 1424466974 /nfs/dbraw/zinc/46/69/74/1424466974.db2.gz IVGGDGUCTNVNNY-GOSISDBHSA-N 1 1 377.488 3.373 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159323339 1424484950 /nfs/dbraw/zinc/48/49/50/1424484950.db2.gz HDEGPQAZIDZFHO-VDEHWKIFSA-N 1 1 396.579 3.416 20 30 GGEDMO C=CCNC(=O)[C@H](C)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159351579 1424493020 /nfs/dbraw/zinc/49/30/20/1424493020.db2.gz CRKRSEDXGLPREX-HNNXBMFYSA-N 1 1 383.458 3.292 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000159540021 1424511727 /nfs/dbraw/zinc/51/17/27/1424511727.db2.gz OJQVFKHUNNZRTQ-YWZLYKJASA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000159540021 1424511731 /nfs/dbraw/zinc/51/17/31/1424511731.db2.gz OJQVFKHUNNZRTQ-YWZLYKJASA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000159540444 1424511929 /nfs/dbraw/zinc/51/19/29/1424511929.db2.gz OJQVFKHUNNZRTQ-FOIQADDNSA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000159540444 1424511938 /nfs/dbraw/zinc/51/19/38/1424511938.db2.gz OJQVFKHUNNZRTQ-FOIQADDNSA-N 1 1 380.448 3.191 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000159658817 1424521201 /nfs/dbraw/zinc/52/12/01/1424521201.db2.gz GZNQRGVYTKPAOD-PXNSSMCTSA-N 1 1 398.507 3.039 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000159705788 1424525558 /nfs/dbraw/zinc/52/55/58/1424525558.db2.gz HNDAGVFKCNBCPM-KEYYUXOJSA-N 1 1 375.538 3.166 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1C#N ZINC000159787013 1424537184 /nfs/dbraw/zinc/53/71/84/1424537184.db2.gz GSVWOPZLRYFSIE-UZLBHIALSA-N 1 1 398.482 3.136 20 30 GGEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000160041127 1424565855 /nfs/dbraw/zinc/56/58/55/1424565855.db2.gz XOBKJLRLUDUSAU-GCJKJVERSA-N 1 1 385.556 3.063 20 30 GGEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000160046105 1424566714 /nfs/dbraw/zinc/56/67/14/1424566714.db2.gz YQZIAUCZRKSSTO-INIZCTEOSA-N 1 1 390.409 3.354 20 30 GGEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000160046236 1424566968 /nfs/dbraw/zinc/56/69/68/1424566968.db2.gz YQZIAUCZRKSSTO-MRXNPFEDSA-N 1 1 390.409 3.354 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000160205576 1424587053 /nfs/dbraw/zinc/58/70/53/1424587053.db2.gz BIFPNNCLBFEVPT-JLTOFOAXSA-N 1 1 398.438 3.330 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000160205576 1424587064 /nfs/dbraw/zinc/58/70/64/1424587064.db2.gz BIFPNNCLBFEVPT-JLTOFOAXSA-N 1 1 398.438 3.330 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2cc(F)ccc2C#N)C(C)C)cc1 ZINC000160235665 1424589327 /nfs/dbraw/zinc/58/93/27/1424589327.db2.gz ZUSISVQBFLEZJL-OAQYLSRUSA-N 1 1 399.466 3.306 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2cc(F)ccc2C#N)C(C)C)cc1 ZINC000160235665 1424589333 /nfs/dbraw/zinc/58/93/33/1424589333.db2.gz ZUSISVQBFLEZJL-OAQYLSRUSA-N 1 1 399.466 3.306 20 30 GGEDMO Cc1cc2c(cc1NC(=O)N1CCC[N@@H+](Cc3ccc(C#N)cc3)CC1)OCO2 ZINC000180107979 1429740386 /nfs/dbraw/zinc/74/03/86/1429740386.db2.gz VIMGGGANNLZNAS-UHFFFAOYSA-N 1 1 392.459 3.335 20 30 GGEDMO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)s2)cc1 ZINC000180118094 1429745228 /nfs/dbraw/zinc/74/52/28/1429745228.db2.gz DFFVSQLOMZREFN-IBGZPJMESA-N 1 1 396.516 3.187 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](CCO)Cc2ccccc2)ccc1Cl ZINC000161441366 1424690610 /nfs/dbraw/zinc/69/06/10/1424690610.db2.gz ZSYHVAKOIMCWIZ-UHFFFAOYSA-N 1 1 385.895 3.390 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](CCO)Cc2ccccc2)ccc1Cl ZINC000161441366 1424690615 /nfs/dbraw/zinc/69/06/15/1424690615.db2.gz ZSYHVAKOIMCWIZ-UHFFFAOYSA-N 1 1 385.895 3.390 20 30 GGEDMO C[C@H]1C[C@H](N(C)C(=O)CNc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000161486528 1424694886 /nfs/dbraw/zinc/69/48/86/1424694886.db2.gz ZJGNDNBDMJJGPO-PGRDOPGGSA-N 1 1 376.504 3.482 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC[C@@H]21 ZINC000161495897 1424695645 /nfs/dbraw/zinc/69/56/45/1424695645.db2.gz VGVWSOSDILHQHS-BBRMVZONSA-N 1 1 396.413 3.447 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CNc1ccc(C#N)cc1 ZINC000161592176 1424719819 /nfs/dbraw/zinc/71/98/19/1424719819.db2.gz WMRXNJCVGOUPRV-OAQYLSRUSA-N 1 1 392.503 3.189 20 30 GGEDMO CCC(CC)n1nccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000161674673 1424738013 /nfs/dbraw/zinc/73/80/13/1424738013.db2.gz LCLDDWOAFGBFRM-UHFFFAOYSA-N 1 1 379.508 3.464 20 30 GGEDMO CCC(CC)n1nccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000161674673 1424738018 /nfs/dbraw/zinc/73/80/18/1424738018.db2.gz LCLDDWOAFGBFRM-UHFFFAOYSA-N 1 1 379.508 3.464 20 30 GGEDMO C[C@H]1CCC[C@@H](CO)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162339762 1424839704 /nfs/dbraw/zinc/83/97/04/1424839704.db2.gz PONWKNTUTALUHN-GJZGRUSLSA-N 1 1 375.538 3.453 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)c1C#N ZINC000162631219 1424873792 /nfs/dbraw/zinc/87/37/92/1424873792.db2.gz CLLBBMNNHCNBIQ-LJQANCHMSA-N 1 1 398.482 3.279 20 30 GGEDMO COC(=O)[C@H](c1ccccc1C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000162724537 1424885218 /nfs/dbraw/zinc/88/52/18/1424885218.db2.gz KUDLCSSRSVXKFY-QFIPXVFZSA-N 1 1 377.488 3.289 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000162850134 1424896613 /nfs/dbraw/zinc/89/66/13/1424896613.db2.gz CSWVFLZBMGOIRJ-GOSISDBHSA-N 1 1 384.480 3.147 20 30 GGEDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180157211 1429769624 /nfs/dbraw/zinc/76/96/24/1429769624.db2.gz KBONXEQXDMWVCJ-NRFANRHFSA-N 1 1 376.460 3.133 20 30 GGEDMO C=CCn1c(SC[C@@H](O)C[N@H+](C)Cc2ccccc2)nnc1-c1ccccn1 ZINC000163847128 1425050151 /nfs/dbraw/zinc/05/01/51/1425050151.db2.gz RWAHXGLGNQVTSA-SFHVURJKSA-N 1 1 395.532 3.111 20 30 GGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000163909896 1425056942 /nfs/dbraw/zinc/05/69/42/1425056942.db2.gz BIAHYUAMHTUUSI-UHFFFAOYSA-N 1 1 380.488 3.477 20 30 GGEDMO C=CCc1cc(OC)cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000163940160 1425060662 /nfs/dbraw/zinc/06/06/62/1425060662.db2.gz LOUUXEMUHSHUOS-UHFFFAOYSA-N 1 1 384.451 3.226 20 30 GGEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000164279320 1425094429 /nfs/dbraw/zinc/09/44/29/1425094429.db2.gz SSXBNYAXISWYLF-YLJYHZDGSA-N 1 1 379.460 3.287 20 30 GGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000164312303 1425097150 /nfs/dbraw/zinc/09/71/50/1425097150.db2.gz MZHAAWYJGKKCCS-MJGOQNOKSA-N 1 1 388.943 3.454 20 30 GGEDMO C=CCc1cc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c(O)c(OC)c1 ZINC000164392840 1425107016 /nfs/dbraw/zinc/10/70/16/1425107016.db2.gz IFPFTPBXNWIABY-UHFFFAOYSA-N 1 1 376.394 3.147 20 30 GGEDMO COc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164485668 1425117006 /nfs/dbraw/zinc/11/70/06/1425117006.db2.gz LIPBBZCQVBDCBF-OAHLLOKOSA-N 1 1 395.507 3.071 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1Cl ZINC000164496716 1425117798 /nfs/dbraw/zinc/11/77/98/1425117798.db2.gz GRTMBBXHTQNNFP-UHFFFAOYSA-N 1 1 396.878 3.304 20 30 GGEDMO COc1cccc(OCC[NH+]2CCN(CCCOc3cccc(C#N)c3)CC2)c1 ZINC000164512904 1425119422 /nfs/dbraw/zinc/11/94/22/1425119422.db2.gz WNNXERYIZDSTLJ-UHFFFAOYSA-N 1 1 395.503 3.032 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000165065307 1425161107 /nfs/dbraw/zinc/16/11/07/1425161107.db2.gz SITBCBAEQRZXFX-CTNGQTDRSA-N 1 1 396.535 3.449 20 30 GGEDMO CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000165540259 1425184124 /nfs/dbraw/zinc/18/41/24/1425184124.db2.gz PKORVZJBMQNACN-RTWAWAEBSA-N 1 1 383.540 3.359 20 30 GGEDMO COC(=O)C[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000165691325 1425193087 /nfs/dbraw/zinc/19/30/87/1425193087.db2.gz NRLXHGRAIZSHDZ-CQSZACIVSA-N 1 1 389.521 3.245 20 30 GGEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000170652714 1425278880 /nfs/dbraw/zinc/27/88/80/1425278880.db2.gz RHANHOFZDYNNSM-GOSISDBHSA-N 1 1 386.496 3.218 20 30 GGEDMO C=CCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000170683602 1425296323 /nfs/dbraw/zinc/29/63/23/1425296323.db2.gz FBQTVCNRYCUYBH-UHFFFAOYSA-N 1 1 398.532 3.218 20 30 GGEDMO C[N@H+]1CCCN(c2ccc(NC(=O)CSc3ccc(C#N)cc3)cc2)CC1 ZINC000170869875 1425375115 /nfs/dbraw/zinc/37/51/15/1425375115.db2.gz SOZGEBXSVIYYBW-UHFFFAOYSA-N 1 1 380.517 3.431 20 30 GGEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000171024492 1425443483 /nfs/dbraw/zinc/44/34/83/1425443483.db2.gz GYSJYIIAIYBNSF-OAQYLSRUSA-N 1 1 388.471 3.426 20 30 GGEDMO CCN(C[C@H](C)C#N)Cn1nc(C[NH+]2CCCC2)n(Cc2ccccc2)c1=S ZINC000171065343 1425464147 /nfs/dbraw/zinc/46/41/47/1425464147.db2.gz DHFSHHKNJXYRJA-GOSISDBHSA-N 1 1 398.580 3.497 20 30 GGEDMO CCN(C[C@@H](C)C#N)Cn1nc(C[NH+]2CCCC2)n(Cc2ccccc2)c1=S ZINC000171065338 1425464377 /nfs/dbraw/zinc/46/43/77/1425464377.db2.gz DHFSHHKNJXYRJA-SFHVURJKSA-N 1 1 398.580 3.497 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cn1 ZINC000171151002 1425510162 /nfs/dbraw/zinc/51/01/62/1425510162.db2.gz DLXUYOJUTFUZIC-UHFFFAOYSA-N 1 1 377.452 3.326 20 30 GGEDMO N#Cc1ccc(CN2C(=O)CN(C[N@@H+](CC3CC3)C3CCCCC3)C2=O)cc1 ZINC000171214556 1425543359 /nfs/dbraw/zinc/54/33/59/1425543359.db2.gz ZJACGBDUURAWML-UHFFFAOYSA-N 1 1 380.492 3.325 20 30 GGEDMO COc1cccc(C2CC(=O)C(=CNNc3cnc4ccccc4[nH+]3)C(=O)C2)c1 ZINC000171214181 1425543471 /nfs/dbraw/zinc/54/34/71/1425543471.db2.gz VTXYGIVCNGKOIX-UHFFFAOYSA-N 1 1 388.427 3.155 20 30 GGEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)NCCCCC#N)CC2)c1C ZINC000171448182 1425683080 /nfs/dbraw/zinc/68/30/80/1425683080.db2.gz JDXKSSTUOWVODU-UHFFFAOYSA-N 1 1 387.528 3.007 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171620299 1425760472 /nfs/dbraw/zinc/76/04/72/1425760472.db2.gz KOHASBSOEXVIKO-IRXDYDNUSA-N 1 1 399.564 3.069 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171620299 1425760481 /nfs/dbraw/zinc/76/04/81/1425760481.db2.gz KOHASBSOEXVIKO-IRXDYDNUSA-N 1 1 399.564 3.069 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1cnn(C)c1 ZINC000171655423 1425776878 /nfs/dbraw/zinc/77/68/78/1425776878.db2.gz ZJLYVDGUPLJQFA-AWEZNQCLSA-N 1 1 385.537 3.329 20 30 GGEDMO COc1cccc([C@@H](C)[NH+]2CCN(CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000171705621 1425795396 /nfs/dbraw/zinc/79/53/96/1425795396.db2.gz QSYSFYGHXVIENX-GOSISDBHSA-N 1 1 392.503 3.274 20 30 GGEDMO COc1cccc([C@H](C)[NH+]2CCN(CC(=O)Nc3oc(C)c(C)c3C#N)CC2)c1 ZINC000171705706 1425795777 /nfs/dbraw/zinc/79/57/77/1425795777.db2.gz NBHOGIDNQUOKJR-INIZCTEOSA-N 1 1 396.491 3.094 20 30 GGEDMO COc1cccc([C@@H](C)N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000171706571 1425796708 /nfs/dbraw/zinc/79/67/08/1425796708.db2.gz JLMDSQJWYWTCTD-MRXNPFEDSA-N 1 1 398.532 3.336 20 30 GGEDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000171806429 1425825556 /nfs/dbraw/zinc/82/55/56/1425825556.db2.gz QDBBOWOLCZDJKQ-SFHVURJKSA-N 1 1 393.487 3.045 20 30 GGEDMO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)c2)c1 ZINC000171890954 1425845142 /nfs/dbraw/zinc/84/51/42/1425845142.db2.gz UFHNXXSKSHQRLU-FQEVSTJZSA-N 1 1 389.459 3.122 20 30 GGEDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000171956155 1425861111 /nfs/dbraw/zinc/86/11/11/1425861111.db2.gz UCGZUGWXBNJBLU-CYBMUJFWSA-N 1 1 394.903 3.385 20 30 GGEDMO C[N@H+](CCc1ccc(Cl)cc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000172068032 1425887871 /nfs/dbraw/zinc/88/78/71/1425887871.db2.gz VEKMMBDJPAJNAJ-UHFFFAOYSA-N 1 1 396.878 3.108 20 30 GGEDMO C[N@@H+](CCc1ccc(Cl)cc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000172068032 1425887873 /nfs/dbraw/zinc/88/78/73/1425887873.db2.gz VEKMMBDJPAJNAJ-UHFFFAOYSA-N 1 1 396.878 3.108 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H](C)C1 ZINC000172166557 1425929588 /nfs/dbraw/zinc/92/95/88/1425929588.db2.gz UVKGWELAFUFYRL-GCJKJVERSA-N 1 1 398.551 3.369 20 30 GGEDMO N#CCOc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000172202567 1425945209 /nfs/dbraw/zinc/94/52/09/1425945209.db2.gz XYXJFNUYWOKVLB-HXUWFJFHSA-N 1 1 378.476 3.053 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000172226398 1425954855 /nfs/dbraw/zinc/95/48/55/1425954855.db2.gz LIFDBBXRCILZCN-ICSRJNTNSA-N 1 1 384.524 3.385 20 30 GGEDMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1C#N ZINC000172230123 1425956837 /nfs/dbraw/zinc/95/68/37/1425956837.db2.gz WFTFAVDRSCYTPV-QGZVFWFLSA-N 1 1 388.393 3.285 20 30 GGEDMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1C#N ZINC000172230127 1425956892 /nfs/dbraw/zinc/95/68/92/1425956892.db2.gz WFTFAVDRSCYTPV-KRWDZBQOSA-N 1 1 388.393 3.285 20 30 GGEDMO CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000172258488 1425971800 /nfs/dbraw/zinc/97/18/00/1425971800.db2.gz FUXVEBXGRVTIPQ-CRAIPNDOSA-N 1 1 399.495 3.017 20 30 GGEDMO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000172475073 1426053855 /nfs/dbraw/zinc/05/38/55/1426053855.db2.gz SVKGLINLUJTBJH-JZXOWHBKSA-N 1 1 386.496 3.062 20 30 GGEDMO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000172475073 1426053862 /nfs/dbraw/zinc/05/38/62/1426053862.db2.gz SVKGLINLUJTBJH-JZXOWHBKSA-N 1 1 386.496 3.062 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000172648647 1426126293 /nfs/dbraw/zinc/12/62/93/1426126293.db2.gz RTOYILLSLYDGJC-SFHVURJKSA-N 1 1 379.460 3.296 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172649283 1426127272 /nfs/dbraw/zinc/12/72/72/1426127272.db2.gz ASPLNKDUTDFCNV-HNNXBMFYSA-N 1 1 388.489 3.042 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172649283 1426127279 /nfs/dbraw/zinc/12/72/79/1426127279.db2.gz ASPLNKDUTDFCNV-HNNXBMFYSA-N 1 1 388.489 3.042 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000172675175 1426138370 /nfs/dbraw/zinc/13/83/70/1426138370.db2.gz DENPHJBJSJPNRZ-INIZCTEOSA-N 1 1 385.489 3.061 20 30 GGEDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000173000209 1426302567 /nfs/dbraw/zinc/30/25/67/1426302567.db2.gz SIDXQHLBGHJBJT-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000173000209 1426302573 /nfs/dbraw/zinc/30/25/73/1426302573.db2.gz SIDXQHLBGHJBJT-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000173121968 1426351680 /nfs/dbraw/zinc/35/16/80/1426351680.db2.gz MACITSQIJUTDNO-DLBZAZTESA-N 1 1 390.553 3.439 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000173121977 1426352002 /nfs/dbraw/zinc/35/20/02/1426352002.db2.gz MACITSQIJUTDNO-IAGOWNOFSA-N 1 1 390.553 3.439 20 30 GGEDMO C=CCOc1ccc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc1OC ZINC000173175713 1426378355 /nfs/dbraw/zinc/37/83/55/1426378355.db2.gz FXSFSPLIAJPFFA-KRWDZBQOSA-N 1 1 388.508 3.023 20 30 GGEDMO Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000173177564 1426379207 /nfs/dbraw/zinc/37/92/07/1426379207.db2.gz AJKKIFSYZWMFLK-QHCPKHFHSA-N 1 1 389.499 3.213 20 30 GGEDMO Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[N@@H+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000173177564 1426379211 /nfs/dbraw/zinc/37/92/11/1426379211.db2.gz AJKKIFSYZWMFLK-QHCPKHFHSA-N 1 1 389.499 3.213 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1C#N ZINC000173223382 1426406455 /nfs/dbraw/zinc/40/64/55/1426406455.db2.gz NPOYDSYAXMYBPD-IBGZPJMESA-N 1 1 383.517 3.091 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000173223532 1426406895 /nfs/dbraw/zinc/40/68/95/1426406895.db2.gz YNICYPLBHAOVDZ-JOCHJYFZSA-N 1 1 397.544 3.232 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000173222956 1426407532 /nfs/dbraw/zinc/40/75/32/1426407532.db2.gz MVRFPGDLYVWWCB-NRFANRHFSA-N 1 1 397.544 3.399 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000173346384 1426524949 /nfs/dbraw/zinc/52/49/49/1426524949.db2.gz GBGIMDYRKDQEMB-UHFFFAOYSA-N 1 1 392.463 3.343 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000173346384 1426524958 /nfs/dbraw/zinc/52/49/58/1426524958.db2.gz GBGIMDYRKDQEMB-UHFFFAOYSA-N 1 1 392.463 3.343 20 30 GGEDMO Cc1csc(C(C)(C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1 ZINC000173426320 1426608944 /nfs/dbraw/zinc/60/89/44/1426608944.db2.gz RAPCZJPNCCMFDY-UHFFFAOYSA-N 1 1 395.450 3.463 20 30 GGEDMO C=CCn1c(-c2cccnc2)nn(CN2CC[C@H](C[N@H+](C)CCC)C2)c1=S ZINC000173445275 1426624743 /nfs/dbraw/zinc/62/47/43/1426624743.db2.gz XQYUAQMEAGAUSK-QGZVFWFLSA-N 1 1 386.569 3.283 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173573698 1426741375 /nfs/dbraw/zinc/74/13/75/1426741375.db2.gz HDUBEYRCDPWXQG-MAUKXSAKSA-N 1 1 381.480 3.125 20 30 GGEDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173573841 1426741475 /nfs/dbraw/zinc/74/14/75/1426741475.db2.gz HDUBEYRCDPWXQG-QAPCUYQASA-N 1 1 381.480 3.125 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173591131 1426754860 /nfs/dbraw/zinc/75/48/60/1426754860.db2.gz KOPSRZAZJCGYOF-YJBOKZPZSA-N 1 1 381.480 3.125 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173591131 1426754873 /nfs/dbraw/zinc/75/48/73/1426754873.db2.gz KOPSRZAZJCGYOF-YJBOKZPZSA-N 1 1 381.480 3.125 20 30 GGEDMO CN(C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)C(=O)OC(C)(C)C ZINC000173664962 1426814101 /nfs/dbraw/zinc/81/41/01/1426814101.db2.gz UPEZUEYXLKXCRG-MRXNPFEDSA-N 1 1 397.479 3.297 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)C(=O)OC(C)(C)C ZINC000173664962 1426814107 /nfs/dbraw/zinc/81/41/07/1426814107.db2.gz UPEZUEYXLKXCRG-MRXNPFEDSA-N 1 1 397.479 3.297 20 30 GGEDMO CC(C)CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000173856449 1426872521 /nfs/dbraw/zinc/87/25/21/1426872521.db2.gz BKKVUEMCGSXWCJ-SFHVURJKSA-N 1 1 397.523 3.383 20 30 GGEDMO CC[N@@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000173899037 1426884657 /nfs/dbraw/zinc/88/46/57/1426884657.db2.gz QFJLEOLSMHVLJS-INIZCTEOSA-N 1 1 388.581 3.491 20 30 GGEDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000173922451 1426893275 /nfs/dbraw/zinc/89/32/75/1426893275.db2.gz NCPCPJJXQRMXFQ-KRWDZBQOSA-N 1 1 376.932 3.169 20 30 GGEDMO CC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C)cs1 ZINC000173949848 1426905717 /nfs/dbraw/zinc/90/57/17/1426905717.db2.gz HXRAOFPABWJWGS-HXUWFJFHSA-N 1 1 394.504 3.362 20 30 GGEDMO CCc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000174033681 1426956907 /nfs/dbraw/zinc/95/69/07/1426956907.db2.gz KJGWAFOSNHDFDW-UHFFFAOYSA-N 1 1 392.459 3.377 20 30 GGEDMO CCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000174033681 1426956916 /nfs/dbraw/zinc/95/69/16/1426956916.db2.gz KJGWAFOSNHDFDW-UHFFFAOYSA-N 1 1 392.459 3.377 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174039633 1426962850 /nfs/dbraw/zinc/96/28/50/1426962850.db2.gz LGGADZRNEQMJBT-HXUWFJFHSA-N 1 1 383.517 3.009 20 30 GGEDMO C=CCOc1ccc(C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)cc1 ZINC000174040176 1426963087 /nfs/dbraw/zinc/96/30/87/1426963087.db2.gz PNLPFCOOZQQKDA-UHFFFAOYSA-N 1 1 395.503 3.130 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](CCCCO)C2CC2)c1C#N ZINC000174161420 1427027395 /nfs/dbraw/zinc/02/73/95/1427027395.db2.gz IFMDFEGUKRQLRA-UHFFFAOYSA-N 1 1 380.492 3.141 20 30 GGEDMO CN(C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N)C(=O)OC(C)(C)C ZINC000174286932 1427085558 /nfs/dbraw/zinc/08/55/58/1427085558.db2.gz JLBATIMHKOUKAN-HNNXBMFYSA-N 1 1 392.525 3.280 20 30 GGEDMO Cc1nc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000174305103 1427093625 /nfs/dbraw/zinc/09/36/25/1427093625.db2.gz KGXMSEIIMZAOEJ-UHFFFAOYSA-N 1 1 383.521 3.049 20 30 GGEDMO CCN1CCN(c2ccc(C[NH2+]Cc3ccc(OC)c(C#N)c3)cc2F)CC1 ZINC000174368011 1427123146 /nfs/dbraw/zinc/12/31/46/1427123146.db2.gz HTCNMMVJXANIOL-UHFFFAOYSA-N 1 1 382.483 3.138 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)C[C@@H](C)O1 ZINC000174428173 1427152285 /nfs/dbraw/zinc/15/22/85/1427152285.db2.gz RPCWZOSQFAKKKN-HZPDHXFCSA-N 1 1 381.451 3.237 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(CCC#N)CC(F)(F)F)cc2)C[C@H](C)O1 ZINC000174441220 1427157711 /nfs/dbraw/zinc/15/77/11/1427157711.db2.gz WOJRPZPZVXDHFS-GASCZTMLSA-N 1 1 383.414 3.214 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(CCC#N)CC(F)(F)F)cc2)C[C@H](C)O1 ZINC000174441220 1427157716 /nfs/dbraw/zinc/15/77/16/1427157716.db2.gz WOJRPZPZVXDHFS-GASCZTMLSA-N 1 1 383.414 3.214 20 30 GGEDMO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)ccc1O ZINC000174537947 1427209620 /nfs/dbraw/zinc/20/96/20/1427209620.db2.gz RSWTWTUGRVIFML-UHFFFAOYSA-N 1 1 381.476 3.396 20 30 GGEDMO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)ccc1O ZINC000174537947 1427209626 /nfs/dbraw/zinc/20/96/26/1427209626.db2.gz RSWTWTUGRVIFML-UHFFFAOYSA-N 1 1 381.476 3.396 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000174621198 1427268227 /nfs/dbraw/zinc/26/82/27/1427268227.db2.gz VTDLWQOJAHDNPK-MRXNPFEDSA-N 1 1 389.459 3.471 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000174621198 1427268237 /nfs/dbraw/zinc/26/82/37/1427268237.db2.gz VTDLWQOJAHDNPK-MRXNPFEDSA-N 1 1 389.459 3.471 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)cc1 ZINC000174840585 1427398786 /nfs/dbraw/zinc/39/87/86/1427398786.db2.gz JDEHRWHMJRHUHD-SFHVURJKSA-N 1 1 377.554 3.315 20 30 GGEDMO CN1CC[NH+](Cc2ccc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc2)CC1 ZINC000174840822 1427399354 /nfs/dbraw/zinc/39/93/54/1427399354.db2.gz WQNNCTYLVFBSIZ-HXUWFJFHSA-N 1 1 382.895 3.082 20 30 GGEDMO C[C@H](C#N)Oc1ccc(CNCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000175018788 1427501418 /nfs/dbraw/zinc/50/14/18/1427501418.db2.gz VOKCATNQTDZUKE-GOSISDBHSA-N 1 1 379.504 3.224 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC000175164270 1427576932 /nfs/dbraw/zinc/57/69/32/1427576932.db2.gz NTORVJUOHIFHTN-OAQYLSRUSA-N 1 1 390.487 3.171 20 30 GGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000175269311 1427637463 /nfs/dbraw/zinc/63/74/63/1427637463.db2.gz FFADRZLPOBVSKQ-UTKZUKDTSA-N 1 1 388.471 3.158 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COc1ccccc1C#N ZINC000175286752 1427648655 /nfs/dbraw/zinc/64/86/55/1427648655.db2.gz ATQGPXYFUPBIIY-FQEVSTJZSA-N 1 1 377.488 3.308 20 30 GGEDMO CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000175322371 1427677728 /nfs/dbraw/zinc/67/77/28/1427677728.db2.gz XZCHTLSIRYXWGX-OAQYLSRUSA-N 1 1 377.492 3.322 20 30 GGEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175498813 1427791206 /nfs/dbraw/zinc/79/12/06/1427791206.db2.gz LJPSRPTVGJUSGW-OAHLLOKOSA-N 1 1 385.431 3.382 20 30 GGEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175498813 1427791209 /nfs/dbraw/zinc/79/12/09/1427791209.db2.gz LJPSRPTVGJUSGW-OAHLLOKOSA-N 1 1 385.431 3.382 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)o2)cc1 ZINC000175518102 1427801103 /nfs/dbraw/zinc/80/11/03/1427801103.db2.gz JBHMEATWAKDGAE-GOSISDBHSA-N 1 1 387.443 3.459 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)o2)cc1 ZINC000175518102 1427801104 /nfs/dbraw/zinc/80/11/04/1427801104.db2.gz JBHMEATWAKDGAE-GOSISDBHSA-N 1 1 387.443 3.459 20 30 GGEDMO COC(=O)[C@@H](c1ccccc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000175523678 1427802889 /nfs/dbraw/zinc/80/28/89/1427802889.db2.gz IQHYPKRFOCFLJN-OAQYLSRUSA-N 1 1 381.451 3.119 20 30 GGEDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000175572391 1427819081 /nfs/dbraw/zinc/81/90/81/1427819081.db2.gz ACBIUJCFTNUION-UHFFFAOYSA-N 1 1 382.464 3.440 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000175812588 1427904581 /nfs/dbraw/zinc/90/45/81/1427904581.db2.gz UZCGQTRJTZFSGQ-INIZCTEOSA-N 1 1 399.004 3.373 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)C1CC1 ZINC000175859955 1427937424 /nfs/dbraw/zinc/93/74/24/1427937424.db2.gz YZSKORQKMRRXNB-UWVAXJGDSA-N 1 1 375.538 3.225 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cc(C#N)ccc2F)cc1F ZINC000175901030 1427960604 /nfs/dbraw/zinc/96/06/04/1427960604.db2.gz ISXYWPAEAPMQPH-UHFFFAOYSA-N 1 1 381.386 3.330 20 30 GGEDMO Cc1[nH+]ccn1CCCCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000176108652 1428087003 /nfs/dbraw/zinc/08/70/03/1428087003.db2.gz ASLZCUWJDVGLCO-UHFFFAOYSA-N 1 1 378.398 3.341 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176119959 1428095287 /nfs/dbraw/zinc/09/52/87/1428095287.db2.gz OPFYWCPQBISUFI-RXVVDRJESA-N 1 1 377.488 3.301 20 30 GGEDMO Cc1ccc(NC(=O)C#Cc2ccccc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000176131719 1428105240 /nfs/dbraw/zinc/10/52/40/1428105240.db2.gz CDIVSUPJMUWPBG-UHFFFAOYSA-N 1 1 375.472 3.410 20 30 GGEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000176164265 1428130279 /nfs/dbraw/zinc/13/02/79/1428130279.db2.gz ZHVJMCOMSDBONX-KRWDZBQOSA-N 1 1 381.442 3.430 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000176193133 1428156244 /nfs/dbraw/zinc/15/62/44/1428156244.db2.gz LSJFOPOGWUMLBW-UHFFFAOYSA-N 1 1 395.507 3.126 20 30 GGEDMO N#CCOc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000176204286 1428165992 /nfs/dbraw/zinc/16/59/92/1428165992.db2.gz DZAHLDYPISJHII-NRFANRHFSA-N 1 1 381.451 3.399 20 30 GGEDMO N#CCOc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000176204286 1428166006 /nfs/dbraw/zinc/16/60/06/1428166006.db2.gz DZAHLDYPISJHII-NRFANRHFSA-N 1 1 381.451 3.399 20 30 GGEDMO CN1CCc2ccc(NC(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000180210719 1429802851 /nfs/dbraw/zinc/80/28/51/1429802851.db2.gz BHDWMYFHZXHYIA-UHFFFAOYSA-N 1 1 389.503 3.290 20 30 GGEDMO CCC[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@H+]1CCOC ZINC000180464803 1429875485 /nfs/dbraw/zinc/87/54/85/1429875485.db2.gz GDUYTTSTRIKDFI-JOCHJYFZSA-N 1 1 395.551 3.396 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c(OC)c1 ZINC000180524309 1429889447 /nfs/dbraw/zinc/88/94/47/1429889447.db2.gz PCXBPRRHDILIKF-RBUKOAKNSA-N 1 1 385.508 3.340 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000180586028 1429914593 /nfs/dbraw/zinc/91/45/93/1429914593.db2.gz DFQVZZWWJWEALI-KRWDZBQOSA-N 1 1 377.492 3.380 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000180586028 1429914598 /nfs/dbraw/zinc/91/45/98/1429914598.db2.gz DFQVZZWWJWEALI-KRWDZBQOSA-N 1 1 377.492 3.380 20 30 GGEDMO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC[N@@H+](C)CC3)c2)c1 ZINC000180634818 1429946188 /nfs/dbraw/zinc/94/61/88/1429946188.db2.gz VUUUCHWPPZIUPX-UHFFFAOYSA-N 1 1 391.471 3.042 20 30 GGEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180719799 1429999169 /nfs/dbraw/zinc/99/91/69/1429999169.db2.gz YJXBTQSDLHRIGD-IBGZPJMESA-N 1 1 395.507 3.003 20 30 GGEDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000180827862 1430060459 /nfs/dbraw/zinc/06/04/59/1430060459.db2.gz HJUVOMVCWBDQBE-JOCHJYFZSA-N 1 1 377.488 3.437 20 30 GGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000180898641 1430096685 /nfs/dbraw/zinc/09/66/85/1430096685.db2.gz SLUOGSLXYATPDG-QGZVFWFLSA-N 1 1 392.503 3.063 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3nnc(C4CC4)n3C3CC3)CC2)cc1 ZINC000181035048 1430178663 /nfs/dbraw/zinc/17/86/63/1430178663.db2.gz LRGSHIFAASVQCK-UHFFFAOYSA-N 1 1 376.508 3.070 20 30 GGEDMO Cc1cccc(C)c1NC(=O)CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181403918 1430289578 /nfs/dbraw/zinc/28/95/78/1430289578.db2.gz HHYQAYXOACOGDQ-UHFFFAOYSA-N 1 1 376.504 3.368 20 30 GGEDMO COc1cc(OC)c(OC)cc1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181411437 1430291108 /nfs/dbraw/zinc/29/11/08/1430291108.db2.gz KGYJAIZLIOJCLK-UHFFFAOYSA-N 1 1 395.503 3.338 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1 ZINC000181534979 1430316662 /nfs/dbraw/zinc/31/66/62/1430316662.db2.gz QJDTVVYDEUSGCB-FQEVSTJZSA-N 1 1 384.524 3.305 20 30 GGEDMO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1F ZINC000181585637 1430323792 /nfs/dbraw/zinc/32/37/92/1430323792.db2.gz ZXZMPRKEMHUMMQ-ZDUSSCGKSA-N 1 1 381.386 3.311 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(NCC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000181606143 1430326821 /nfs/dbraw/zinc/32/68/21/1430326821.db2.gz QZLROSHKHSOLPX-UHFFFAOYSA-N 1 1 382.895 3.404 20 30 GGEDMO N#Cc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000181621475 1430329372 /nfs/dbraw/zinc/32/93/72/1430329372.db2.gz USSODCHBMIBWKW-GOSISDBHSA-N 1 1 384.867 3.100 20 30 GGEDMO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(C#N)c1 ZINC000181726333 1430348101 /nfs/dbraw/zinc/34/81/01/1430348101.db2.gz XMPUGULESJRNIC-VGSWGCGISA-N 1 1 376.504 3.106 20 30 GGEDMO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(C#N)c1 ZINC000181726333 1430348102 /nfs/dbraw/zinc/34/81/02/1430348102.db2.gz XMPUGULESJRNIC-VGSWGCGISA-N 1 1 376.504 3.106 20 30 GGEDMO C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181765887 1430355067 /nfs/dbraw/zinc/35/50/67/1430355067.db2.gz CTNCTTXMVKZCCZ-HSZRJFAPSA-N 1 1 393.531 3.194 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181784896 1430359264 /nfs/dbraw/zinc/35/92/64/1430359264.db2.gz CCWRGWZZOFWRFK-IBGZPJMESA-N 1 1 385.533 3.213 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000181784923 1430359275 /nfs/dbraw/zinc/35/92/75/1430359275.db2.gz CCWRGWZZOFWRFK-LJQANCHMSA-N 1 1 385.533 3.213 20 30 GGEDMO Cc1oc(NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)c(C#N)c1C ZINC000181838676 1430370280 /nfs/dbraw/zinc/37/02/80/1430370280.db2.gz XZSCXBMAIWQOIR-GOSISDBHSA-N 1 1 383.448 3.379 20 30 GGEDMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181882945 1430377152 /nfs/dbraw/zinc/37/71/52/1430377152.db2.gz KCUTVOPQADSODG-HXUWFJFHSA-N 1 1 378.524 3.362 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000181905482 1430381080 /nfs/dbraw/zinc/38/10/80/1430381080.db2.gz XXQKNAXLQGZBLG-INIZCTEOSA-N 1 1 390.553 3.391 20 30 GGEDMO N#Cc1ccc(CN2CCC([NH2+]CC3(N4CCCCC4)CCOCC3)CC2)cc1 ZINC000181947341 1430387182 /nfs/dbraw/zinc/38/71/82/1430387182.db2.gz GBLKCOJNTLGHLW-UHFFFAOYSA-N 1 1 396.579 3.147 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(N[C@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000181951371 1430387603 /nfs/dbraw/zinc/38/76/03/1430387603.db2.gz QPUCAMQDEGQRSX-NRFANRHFSA-N 1 1 392.478 3.057 20 30 GGEDMO N#CCNC(=O)C[NH2+][C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000182075417 1430406559 /nfs/dbraw/zinc/40/65/59/1430406559.db2.gz HWHOBYXMKCEVBT-KRWDZBQOSA-N 1 1 395.356 3.194 20 30 GGEDMO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1c(C)noc1C ZINC000182486034 1430475804 /nfs/dbraw/zinc/47/58/04/1430475804.db2.gz QGUKPPOMLUVCIX-QGZVFWFLSA-N 1 1 378.436 3.028 20 30 GGEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000182614722 1430502948 /nfs/dbraw/zinc/50/29/48/1430502948.db2.gz GMEPGBPNEZLXHP-PMACEKPBSA-N 1 1 394.544 3.294 20 30 GGEDMO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCc2ccccc21 ZINC000182625159 1430504423 /nfs/dbraw/zinc/50/44/23/1430504423.db2.gz BQLKKKBXNWTLRG-UXHICEINSA-N 1 1 394.544 3.076 20 30 GGEDMO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000182638889 1430507529 /nfs/dbraw/zinc/50/75/29/1430507529.db2.gz PTVIGWYCCABQDJ-CYBMUJFWSA-N 1 1 377.510 3.101 20 30 GGEDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000182638889 1430507531 /nfs/dbraw/zinc/50/75/31/1430507531.db2.gz PTVIGWYCCABQDJ-CYBMUJFWSA-N 1 1 377.510 3.101 20 30 GGEDMO C[N@@H+](CCCc1ccccc1)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182678432 1430515973 /nfs/dbraw/zinc/51/59/73/1430515973.db2.gz JQEWBJYCGBASSX-FQEVSTJZSA-N 1 1 396.560 3.022 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182718362 1430525898 /nfs/dbraw/zinc/52/58/98/1430525898.db2.gz AZVXMCUCXXQKII-HFSMHLIXSA-N 1 1 396.535 3.070 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182718326 1430526186 /nfs/dbraw/zinc/52/61/86/1430526186.db2.gz AZVXMCUCXXQKII-FBBABVLZSA-N 1 1 396.535 3.070 20 30 GGEDMO CC[NH+](CC)CCCC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182733464 1430529546 /nfs/dbraw/zinc/52/95/46/1430529546.db2.gz VSDZZLFSDHPZLX-QFIPXVFZSA-N 1 1 382.552 3.498 20 30 GGEDMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182759574 1430534972 /nfs/dbraw/zinc/53/49/72/1430534972.db2.gz YLGWPKYCOUONRD-WOJBJXKFSA-N 1 1 377.492 3.241 20 30 GGEDMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182759925 1430535455 /nfs/dbraw/zinc/53/54/55/1430535455.db2.gz BVDRCODPBPMAFL-WOJBJXKFSA-N 1 1 377.492 3.150 20 30 GGEDMO C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822880 1430546981 /nfs/dbraw/zinc/54/69/81/1430546981.db2.gz OXGXMXGTEZCULT-HKUYNNGSSA-N 1 1 396.535 3.436 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182840467 1430551405 /nfs/dbraw/zinc/55/14/05/1430551405.db2.gz GTWBXRGTINJFAD-HNNXBMFYSA-N 1 1 394.397 3.498 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182843341 1430551676 /nfs/dbraw/zinc/55/16/76/1430551676.db2.gz BSDPNHUNBHKTJX-CABCVRRESA-N 1 1 397.445 3.270 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182843341 1430551681 /nfs/dbraw/zinc/55/16/81/1430551681.db2.gz BSDPNHUNBHKTJX-CABCVRRESA-N 1 1 397.445 3.270 20 30 GGEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182886936 1430562329 /nfs/dbraw/zinc/56/23/29/1430562329.db2.gz VMYKELQVRKTRBB-AZUAARDMSA-N 1 1 392.507 3.106 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182921689 1430572076 /nfs/dbraw/zinc/57/20/76/1430572076.db2.gz CNDWPGCSXVWNNJ-SJLPKXTDSA-N 1 1 384.524 3.377 20 30 GGEDMO C[C@@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183122201 1430620775 /nfs/dbraw/zinc/62/07/75/1430620775.db2.gz UVKVBXLPEZMOMD-YHURYTIQSA-N 1 1 389.565 3.015 20 30 GGEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183200582 1430646423 /nfs/dbraw/zinc/64/64/23/1430646423.db2.gz ICUSDBSTKQLTDQ-UHFFFAOYSA-N 1 1 377.370 3.049 20 30 GGEDMO CC1([C@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)OCCO1 ZINC000183243341 1430658072 /nfs/dbraw/zinc/65/80/72/1430658072.db2.gz HLUKRTKGQDSECI-FQEVSTJZSA-N 1 1 380.492 3.439 20 30 GGEDMO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000183247120 1430658920 /nfs/dbraw/zinc/65/89/20/1430658920.db2.gz SMKRRZXOQPIIBS-QHCPKHFHSA-N 1 1 396.498 3.341 20 30 GGEDMO Cn1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000183247136 1430659147 /nfs/dbraw/zinc/65/91/47/1430659147.db2.gz SMKRRZXOQPIIBS-HSZRJFAPSA-N 1 1 396.498 3.341 20 30 GGEDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1OC ZINC000183474776 1430720754 /nfs/dbraw/zinc/72/07/54/1430720754.db2.gz QGAOXSBBYGHUAG-CQSZACIVSA-N 1 1 377.460 3.178 20 30 GGEDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000183476066 1430721582 /nfs/dbraw/zinc/72/15/82/1430721582.db2.gz AAIKEXDZRBGPIP-LLVKDONJSA-N 1 1 375.400 3.214 20 30 GGEDMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1OC ZINC000183476051 1430721699 /nfs/dbraw/zinc/72/16/99/1430721699.db2.gz AAIKEXDZRBGPIP-NSHDSACASA-N 1 1 375.400 3.214 20 30 GGEDMO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)[NH+]2CCCC2)o1 ZINC000183628982 1430758678 /nfs/dbraw/zinc/75/86/78/1430758678.db2.gz VVJKLVRIENDJGX-INIZCTEOSA-N 1 1 393.896 3.229 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183747358 1430785979 /nfs/dbraw/zinc/78/59/79/1430785979.db2.gz DEIBMQSHYCYZGY-NRFANRHFSA-N 1 1 376.504 3.483 20 30 GGEDMO CCN(CCC(=O)Nc1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183747358 1430785982 /nfs/dbraw/zinc/78/59/82/1430785982.db2.gz DEIBMQSHYCYZGY-NRFANRHFSA-N 1 1 376.504 3.483 20 30 GGEDMO CCN(CCC(=O)Nc1ccccc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183747358 1430785985 /nfs/dbraw/zinc/78/59/85/1430785985.db2.gz DEIBMQSHYCYZGY-NRFANRHFSA-N 1 1 376.504 3.483 20 30 GGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183754495 1430787108 /nfs/dbraw/zinc/78/71/08/1430787108.db2.gz VBMRCWQDIJKJQM-LJQANCHMSA-N 1 1 389.565 3.314 20 30 GGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000183788070 1430794179 /nfs/dbraw/zinc/79/41/79/1430794179.db2.gz IZKZEIJVZYIRSX-QGZVFWFLSA-N 1 1 394.475 3.496 20 30 GGEDMO CC[N@@H+](CCO)CCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000183931926 1430814787 /nfs/dbraw/zinc/81/47/87/1430814787.db2.gz XZCFXSGHLLSSFS-UHFFFAOYSA-N 1 1 387.867 3.048 20 30 GGEDMO Cc1cc2c(cc1C)[C@H](C(=O)N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)CO2 ZINC000184036608 1430832434 /nfs/dbraw/zinc/83/24/34/1430832434.db2.gz JMXPLRMAAJRVKD-JOCHJYFZSA-N 1 1 389.499 3.386 20 30 GGEDMO Cc1cc2c(cc1C)[C@H](C(=O)N1CCC[N@@H+](Cc3ccc(C#N)cc3)CC1)CO2 ZINC000184036608 1430832437 /nfs/dbraw/zinc/83/24/37/1430832437.db2.gz JMXPLRMAAJRVKD-JOCHJYFZSA-N 1 1 389.499 3.386 20 30 GGEDMO C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000184251849 1430862487 /nfs/dbraw/zinc/86/24/87/1430862487.db2.gz MNCZNCADBMKAPJ-MRXNPFEDSA-N 1 1 383.521 3.036 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)C1CC1 ZINC000184318801 1430872739 /nfs/dbraw/zinc/87/27/39/1430872739.db2.gz OKDKUWAZQVUVEQ-NRFANRHFSA-N 1 1 380.467 3.407 20 30 GGEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000184331453 1430873995 /nfs/dbraw/zinc/87/39/95/1430873995.db2.gz JYUFJXXJBRLIHK-MRXNPFEDSA-N 1 1 397.422 3.158 20 30 GGEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000184331998 1430874225 /nfs/dbraw/zinc/87/42/25/1430874225.db2.gz VOCYGQMJTKKWRW-QGZVFWFLSA-N 1 1 397.422 3.158 20 30 GGEDMO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C)cs1 ZINC000184410340 1430884602 /nfs/dbraw/zinc/88/46/02/1430884602.db2.gz ZLQKZPCKJJTFEC-MRXNPFEDSA-N 1 1 380.477 3.188 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000184616820 1430920447 /nfs/dbraw/zinc/92/04/47/1430920447.db2.gz NAMKZZNKDWSIDB-SFHVURJKSA-N 1 1 388.512 3.073 20 30 GGEDMO [NH2+]=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1cccc2c1CCCC2 ZINC000184655509 1430931638 /nfs/dbraw/zinc/93/16/38/1430931638.db2.gz FYBWEBWEXAJYDJ-UHFFFAOYSA-N 1 1 376.464 3.189 20 30 GGEDMO [NH2+]=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cccc2c1CCCC2 ZINC000184655509 1430931640 /nfs/dbraw/zinc/93/16/40/1430931640.db2.gz FYBWEBWEXAJYDJ-UHFFFAOYSA-N 1 1 376.464 3.189 20 30 GGEDMO CC#CCCCC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000185075621 1431054934 /nfs/dbraw/zinc/05/49/34/1431054934.db2.gz XYBSDOVMAXURNA-UHFFFAOYSA-N 1 1 386.521 3.069 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](CCO)c2ccco2)ccc1Cl ZINC000185092665 1431058743 /nfs/dbraw/zinc/05/87/43/1431058743.db2.gz NLKNYTJCKGYERP-QGZVFWFLSA-N 1 1 375.856 3.201 20 30 GGEDMO COc1cccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3sccc3C#N)n2)c1 ZINC000185124210 1431066516 /nfs/dbraw/zinc/06/65/16/1431066516.db2.gz OYTVPJQZTOASES-GFCCVEGCSA-N 1 1 397.460 3.358 20 30 GGEDMO COc1cccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3cccc(C#N)c3)n2)c1 ZINC000185134783 1431069732 /nfs/dbraw/zinc/06/97/32/1431069732.db2.gz PIWIIORGDFPQCW-CQSZACIVSA-N 1 1 391.431 3.296 20 30 GGEDMO CCC1(CC)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@]1=O ZINC000185240497 1431091905 /nfs/dbraw/zinc/09/19/05/1431091905.db2.gz QZTXLYPHJQXMEI-AREMUKBSSA-N 1 1 393.578 3.060 20 30 GGEDMO CCC1(CC)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@]1=O ZINC000185240497 1431091910 /nfs/dbraw/zinc/09/19/10/1431091910.db2.gz QZTXLYPHJQXMEI-AREMUKBSSA-N 1 1 393.578 3.060 20 30 GGEDMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2CC2)s1 ZINC000185350066 1431122457 /nfs/dbraw/zinc/12/24/57/1431122457.db2.gz SMGBVLDHIFCNIC-SFHVURJKSA-N 1 1 392.488 3.188 20 30 GGEDMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000185393395 1431135013 /nfs/dbraw/zinc/13/50/13/1431135013.db2.gz PCJQZJZWRYHPMS-UHFFFAOYSA-N 1 1 382.464 3.095 20 30 GGEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000185454795 1431149450 /nfs/dbraw/zinc/14/94/50/1431149450.db2.gz WNRKLQSLRUJUNS-PBHICJAKSA-N 1 1 386.546 3.165 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185463534 1431150973 /nfs/dbraw/zinc/15/09/73/1431150973.db2.gz YZDNNRZTPMBEIV-XLIONFOSSA-N 1 1 378.476 3.086 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185463556 1431151146 /nfs/dbraw/zinc/15/11/46/1431151146.db2.gz YZDNNRZTPMBEIV-FXAWDEMLSA-N 1 1 378.476 3.086 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000185592233 1431178686 /nfs/dbraw/zinc/17/86/86/1431178686.db2.gz ARSWFUJFXHTAFM-NRFANRHFSA-N 1 1 392.503 3.078 20 30 GGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000185606065 1431182182 /nfs/dbraw/zinc/18/21/82/1431182182.db2.gz GTNYBDUTEZMANO-ABSDTBQOSA-N 1 1 398.551 3.476 20 30 GGEDMO C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)c1ccc(F)c(F)c1 ZINC000185785532 1431235304 /nfs/dbraw/zinc/23/53/04/1431235304.db2.gz YIAMVQYUUQMMAB-LJQANCHMSA-N 1 1 385.414 3.282 20 30 GGEDMO C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccc(F)c(F)c1 ZINC000185785532 1431235307 /nfs/dbraw/zinc/23/53/07/1431235307.db2.gz YIAMVQYUUQMMAB-LJQANCHMSA-N 1 1 385.414 3.282 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccc(F)c(F)c1 ZINC000185837574 1431248087 /nfs/dbraw/zinc/24/80/87/1431248087.db2.gz QDUJVRDWOXJSQW-LJQANCHMSA-N 1 1 381.467 3.070 20 30 GGEDMO Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3C)CC2)c1C ZINC000186162418 1431344710 /nfs/dbraw/zinc/34/47/10/1431344710.db2.gz MBDFYQHBCNJYNH-UHFFFAOYSA-N 1 1 376.504 3.240 20 30 GGEDMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186166605 1431345295 /nfs/dbraw/zinc/34/52/95/1431345295.db2.gz RBCGLWHXBGMMMZ-UHFFFAOYSA-N 1 1 376.504 3.240 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000186278317 1431370049 /nfs/dbraw/zinc/37/00/49/1431370049.db2.gz OBPGYLOCZJKBEZ-QGZVFWFLSA-N 1 1 399.516 3.170 20 30 GGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1C#N ZINC000186285049 1431371538 /nfs/dbraw/zinc/37/15/38/1431371538.db2.gz MSLRNLSQDWHVKR-INIZCTEOSA-N 1 1 399.516 3.300 20 30 GGEDMO COC(=O)c1ccccc1CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000186445027 1431421863 /nfs/dbraw/zinc/42/18/63/1431421863.db2.gz APGDHJHLNJBHEA-UHFFFAOYSA-N 1 1 377.488 3.095 20 30 GGEDMO COC(=O)c1ccccc1CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186445027 1431421868 /nfs/dbraw/zinc/42/18/68/1431421868.db2.gz APGDHJHLNJBHEA-UHFFFAOYSA-N 1 1 377.488 3.095 20 30 GGEDMO COC(=O)c1ccccc1CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186445027 1431421874 /nfs/dbraw/zinc/42/18/74/1431421874.db2.gz APGDHJHLNJBHEA-UHFFFAOYSA-N 1 1 377.488 3.095 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cccc(F)c2C#N)C[C@H](C)O1 ZINC000186750789 1431508082 /nfs/dbraw/zinc/50/80/82/1431508082.db2.gz FZACHPAYPQBVRP-HOTGVXAUSA-N 1 1 381.451 3.237 20 30 GGEDMO N#CCCN(C(=O)C[N@@H+]1CCSC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000186820247 1431527668 /nfs/dbraw/zinc/52/76/68/1431527668.db2.gz USVYILNXGPKDIB-UHFFFAOYSA-N 1 1 393.940 3.185 20 30 GGEDMO N#CCCN(C(=O)C[N@H+]1CCSC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000186820247 1431527677 /nfs/dbraw/zinc/52/76/77/1431527677.db2.gz USVYILNXGPKDIB-UHFFFAOYSA-N 1 1 393.940 3.185 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)o2)cc1 ZINC000186920705 1431566003 /nfs/dbraw/zinc/56/60/03/1431566003.db2.gz JBLULKZQUKAGTF-UHFFFAOYSA-N 1 1 392.434 3.317 20 30 GGEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCCC3(CC3)C1)CCCC2 ZINC000186972914 1431580076 /nfs/dbraw/zinc/58/00/76/1431580076.db2.gz KNNIFTYEBDRSAU-KRWDZBQOSA-N 1 1 396.535 3.232 20 30 GGEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCCC3(CC3)C1)CCCC2 ZINC000186972914 1431580081 /nfs/dbraw/zinc/58/00/81/1431580081.db2.gz KNNIFTYEBDRSAU-KRWDZBQOSA-N 1 1 396.535 3.232 20 30 GGEDMO C=CC[C@H](C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000187022522 1431592925 /nfs/dbraw/zinc/59/29/25/1431592925.db2.gz ZKPRWRZDMOOMBY-QFIPXVFZSA-N 1 1 391.515 3.302 20 30 GGEDMO COc1ccc(CNC(=[NH2+])NC[C@H](C2CC2)N(C)Cc2ccccc2)cc1OC ZINC000187055857 1431601216 /nfs/dbraw/zinc/60/12/16/1431601216.db2.gz SVHQVKVPBRKAHK-HXUWFJFHSA-N 1 1 396.535 3.019 20 30 GGEDMO COc1ccc(CNC(=[NH2+])NC[C@@H](C2CC2)N(C)Cc2ccccc2)cc1OC ZINC000187055836 1431601405 /nfs/dbraw/zinc/60/14/05/1431601405.db2.gz SVHQVKVPBRKAHK-FQEVSTJZSA-N 1 1 396.535 3.019 20 30 GGEDMO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000187568243 1431769834 /nfs/dbraw/zinc/76/98/34/1431769834.db2.gz HTPWHIPZDYEBFJ-QHCPKHFHSA-N 1 1 394.519 3.389 20 30 GGEDMO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000187568243 1431769836 /nfs/dbraw/zinc/76/98/36/1431769836.db2.gz HTPWHIPZDYEBFJ-QHCPKHFHSA-N 1 1 394.519 3.389 20 30 GGEDMO CC[C@]1(CO)CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000187587266 1431773704 /nfs/dbraw/zinc/77/37/04/1431773704.db2.gz NGDFEKIZVUEVGI-FQEVSTJZSA-N 1 1 377.916 3.380 20 30 GGEDMO CC[C@]1(CO)CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000187587266 1431773708 /nfs/dbraw/zinc/77/37/08/1431773708.db2.gz NGDFEKIZVUEVGI-FQEVSTJZSA-N 1 1 377.916 3.380 20 30 GGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000187676166 1431797151 /nfs/dbraw/zinc/79/71/51/1431797151.db2.gz SXYXZYXRKUEJRJ-KXBFYZLASA-N 1 1 387.480 3.201 20 30 GGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000187676166 1431797163 /nfs/dbraw/zinc/79/71/63/1431797163.db2.gz SXYXZYXRKUEJRJ-KXBFYZLASA-N 1 1 387.480 3.201 20 30 GGEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1)c1ccc(F)c(F)c1 ZINC000187756651 1431809070 /nfs/dbraw/zinc/80/90/70/1431809070.db2.gz HGEKWUFRUCUHLR-LIRRHRJNSA-N 1 1 394.462 3.362 20 30 GGEDMO C#CCOc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000188029952 1431837870 /nfs/dbraw/zinc/83/78/70/1431837870.db2.gz VOHABENQCHZASC-UHFFFAOYSA-N 1 1 388.471 3.310 20 30 GGEDMO C#CCOc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000188029952 1431837871 /nfs/dbraw/zinc/83/78/71/1431837871.db2.gz VOHABENQCHZASC-UHFFFAOYSA-N 1 1 388.471 3.310 20 30 GGEDMO C#CCOc1ccccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000188128654 1431850602 /nfs/dbraw/zinc/85/06/02/1431850602.db2.gz HKQWUJLAHOHIBI-SFHVURJKSA-N 1 1 393.487 3.241 20 30 GGEDMO C#CCOc1ccccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000188128654 1431850604 /nfs/dbraw/zinc/85/06/04/1431850604.db2.gz HKQWUJLAHOHIBI-SFHVURJKSA-N 1 1 393.487 3.241 20 30 GGEDMO C#CCOc1ccccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000188128629 1431850607 /nfs/dbraw/zinc/85/06/07/1431850607.db2.gz HKQWUJLAHOHIBI-GOSISDBHSA-N 1 1 393.487 3.241 20 30 GGEDMO C#CCOc1ccccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000188128629 1431850608 /nfs/dbraw/zinc/85/06/08/1431850608.db2.gz HKQWUJLAHOHIBI-GOSISDBHSA-N 1 1 393.487 3.241 20 30 GGEDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(SCC#N)c1 ZINC000188158217 1431854395 /nfs/dbraw/zinc/85/43/95/1431854395.db2.gz YWJNDTHWVBIPQJ-JOCHJYFZSA-N 1 1 395.528 3.011 20 30 GGEDMO C=C(C)[C@@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000188301539 1431870917 /nfs/dbraw/zinc/87/09/17/1431870917.db2.gz AWUHNUJOBQNSPT-WOJBJXKFSA-N 1 1 394.510 3.153 20 30 GGEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000188409409 1431881946 /nfs/dbraw/zinc/88/19/46/1431881946.db2.gz ROQVNZDOWVJAES-KRWDZBQOSA-N 1 1 389.377 3.287 20 30 GGEDMO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000188409409 1431881947 /nfs/dbraw/zinc/88/19/47/1431881947.db2.gz ROQVNZDOWVJAES-KRWDZBQOSA-N 1 1 389.377 3.287 20 30 GGEDMO C=C[C@@](C)(CCOC)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000188426856 1431883194 /nfs/dbraw/zinc/88/31/94/1431883194.db2.gz DNPILBSDBMSFSH-QFIPXVFZSA-N 1 1 385.508 3.141 20 30 GGEDMO C=C[C@](C)(CCOC)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000188426882 1431883283 /nfs/dbraw/zinc/88/32/83/1431883283.db2.gz DNPILBSDBMSFSH-JOCHJYFZSA-N 1 1 385.508 3.141 20 30 GGEDMO N#CCCCOc1cccnc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000188707826 1431940496 /nfs/dbraw/zinc/94/04/96/1431940496.db2.gz RRBVMUFRHFAIFK-AEFFLSMTSA-N 1 1 383.496 3.245 20 30 GGEDMO C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000188709910 1431941243 /nfs/dbraw/zinc/94/12/43/1431941243.db2.gz BRYYOMGNUTYPTQ-KRWDZBQOSA-N 1 1 393.491 3.332 20 30 GGEDMO C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000188720844 1431945405 /nfs/dbraw/zinc/94/54/05/1431945405.db2.gz DPLGMXFTTBDNPK-KRWDZBQOSA-N 1 1 381.480 3.406 20 30 GGEDMO C=CCOc1cccc(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000188722259 1431945525 /nfs/dbraw/zinc/94/55/25/1431945525.db2.gz IJWDHYWAGIBFOT-QHCPKHFHSA-N 1 1 395.503 3.352 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000188732519 1431949693 /nfs/dbraw/zinc/94/96/93/1431949693.db2.gz TVNPGRDGHVPTBF-UHFFFAOYSA-N 1 1 377.357 3.285 20 30 GGEDMO C=CCC1(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CCC1 ZINC000188814781 1431988726 /nfs/dbraw/zinc/98/87/26/1431988726.db2.gz DMVMTWVDRMSLHA-UHFFFAOYSA-N 1 1 389.471 3.171 20 30 GGEDMO N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1O ZINC000188854207 1431998987 /nfs/dbraw/zinc/99/89/87/1431998987.db2.gz COOVIRNYQCCLCQ-SFTDATJTSA-N 1 1 375.472 3.391 20 30 GGEDMO C=CCN(CCOC)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188964089 1432017767 /nfs/dbraw/zinc/01/77/67/1432017767.db2.gz UIVOSBCDVREZGE-KRWDZBQOSA-N 1 1 385.430 3.124 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000189119845 1432048329 /nfs/dbraw/zinc/04/83/29/1432048329.db2.gz NARBXEQXJSCQSD-INIZCTEOSA-N 1 1 381.480 3.001 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000189138694 1432050967 /nfs/dbraw/zinc/05/09/67/1432050967.db2.gz CNVKWSDDMYYUKO-UHFFFAOYSA-N 1 1 384.361 3.262 20 30 GGEDMO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000189426213 1432107010 /nfs/dbraw/zinc/10/70/10/1432107010.db2.gz GKMGZMXWRFRGFT-UHFFFAOYSA-N 1 1 399.878 3.456 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000189564085 1432160279 /nfs/dbraw/zinc/16/02/79/1432160279.db2.gz VPDDZFXTKYEVKF-UTKZUKDTSA-N 1 1 390.487 3.008 20 30 GGEDMO C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189564632 1432160516 /nfs/dbraw/zinc/16/05/16/1432160516.db2.gz QLWJHJJWFKQZAA-GCJKJVERSA-N 1 1 389.499 3.118 20 30 GGEDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000189681448 1432202107 /nfs/dbraw/zinc/20/21/07/1432202107.db2.gz HTXMKRNKASMULL-HNNXBMFYSA-N 1 1 399.878 3.143 20 30 GGEDMO C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000189695539 1432207147 /nfs/dbraw/zinc/20/71/47/1432207147.db2.gz LCZQSNRTNXUMOV-HNNXBMFYSA-N 1 1 399.878 3.143 20 30 GGEDMO C#CCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000189983346 1432299883 /nfs/dbraw/zinc/29/98/83/1432299883.db2.gz QVVKACQWVHZKIG-GOSISDBHSA-N 1 1 398.528 3.432 20 30 GGEDMO CCN1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000190138330 1432326591 /nfs/dbraw/zinc/32/65/91/1432326591.db2.gz WCIFGIFUNVAWTE-UHFFFAOYSA-N 1 1 378.476 3.317 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000190186655 1432336394 /nfs/dbraw/zinc/33/63/94/1432336394.db2.gz GOMRKJKWXQZOSV-JKSUJKDBSA-N 1 1 390.553 3.247 20 30 GGEDMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(CCC#N)CC3CC3)c2C1 ZINC000190255802 1432349720 /nfs/dbraw/zinc/34/97/20/1432349720.db2.gz YHBMFDWJXFOBCD-INIZCTEOSA-N 1 1 382.508 3.137 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CC1 ZINC000190626963 1432424941 /nfs/dbraw/zinc/42/49/41/1432424941.db2.gz SIWVGBTZQSGELW-UHFFFAOYSA-N 1 1 398.956 3.448 20 30 GGEDMO CCOC(=O)[C@@H](CC)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000190636534 1432427959 /nfs/dbraw/zinc/42/79/59/1432427959.db2.gz JFHXOWKOXWRZLF-MRXNPFEDSA-N 1 1 389.521 3.243 20 30 GGEDMO CCOC(=O)[C@@H](CC)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000190636534 1432427963 /nfs/dbraw/zinc/42/79/63/1432427963.db2.gz JFHXOWKOXWRZLF-MRXNPFEDSA-N 1 1 389.521 3.243 20 30 GGEDMO CCOC(=O)[C@H](CC)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000190636512 1432427993 /nfs/dbraw/zinc/42/79/93/1432427993.db2.gz JFHXOWKOXWRZLF-INIZCTEOSA-N 1 1 389.521 3.243 20 30 GGEDMO CCOC(=O)[C@H](CC)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000190636512 1432427994 /nfs/dbraw/zinc/42/79/94/1432427994.db2.gz JFHXOWKOXWRZLF-INIZCTEOSA-N 1 1 389.521 3.243 20 30 GGEDMO Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190789023 1432480425 /nfs/dbraw/zinc/48/04/25/1432480425.db2.gz STPRAAFKYCANJG-UHFFFAOYSA-N 1 1 378.476 3.355 20 30 GGEDMO CCOC(=O)[C@H](C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000190813934 1432492034 /nfs/dbraw/zinc/49/20/34/1432492034.db2.gz OSTDCMRWQSDQDN-ZDUSSCGKSA-N 1 1 389.521 3.243 20 30 GGEDMO CCOC(=O)[C@H](C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000190813934 1432492041 /nfs/dbraw/zinc/49/20/41/1432492041.db2.gz OSTDCMRWQSDQDN-ZDUSSCGKSA-N 1 1 389.521 3.243 20 30 GGEDMO CCOC(=O)[C@@H](C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000190813914 1432492306 /nfs/dbraw/zinc/49/23/06/1432492306.db2.gz OSTDCMRWQSDQDN-CYBMUJFWSA-N 1 1 389.521 3.243 20 30 GGEDMO CCOC(=O)[C@@H](C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000190813914 1432492311 /nfs/dbraw/zinc/49/23/11/1432492311.db2.gz OSTDCMRWQSDQDN-CYBMUJFWSA-N 1 1 389.521 3.243 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1C#N ZINC000191264068 1432611747 /nfs/dbraw/zinc/61/17/47/1432611747.db2.gz ZTQUXYHYBUIGHK-KBPBESRZSA-N 1 1 398.482 3.277 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)c1C#N ZINC000191264085 1432612009 /nfs/dbraw/zinc/61/20/09/1432612009.db2.gz ZTQUXYHYBUIGHK-ZIAGYGMSSA-N 1 1 398.482 3.277 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccccc2)Cc2cccnc2)cc1 ZINC000191355610 1432639845 /nfs/dbraw/zinc/63/98/45/1432639845.db2.gz CGGHKDMXILCEBI-QHCPKHFHSA-N 1 1 387.483 3.438 20 30 GGEDMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000191488663 1432670476 /nfs/dbraw/zinc/67/04/76/1432670476.db2.gz HCXKUKXHKJJQNG-SFHVURJKSA-N 1 1 383.517 3.430 20 30 GGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000191488663 1432670479 /nfs/dbraw/zinc/67/04/79/1432670479.db2.gz HCXKUKXHKJJQNG-SFHVURJKSA-N 1 1 383.517 3.430 20 30 GGEDMO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000191738975 1432715483 /nfs/dbraw/zinc/71/54/83/1432715483.db2.gz TYHGNWHDOCARGI-FQEVSTJZSA-N 1 1 392.532 3.487 20 30 GGEDMO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000191738975 1432715488 /nfs/dbraw/zinc/71/54/88/1432715488.db2.gz TYHGNWHDOCARGI-FQEVSTJZSA-N 1 1 392.532 3.487 20 30 GGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000191917152 1432755451 /nfs/dbraw/zinc/75/54/51/1432755451.db2.gz BIERVSLAVXDKAT-GOSISDBHSA-N 1 1 383.492 3.489 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192206060 1432815927 /nfs/dbraw/zinc/81/59/27/1432815927.db2.gz PAGRHMZJWHMFCA-OAHLLOKOSA-N 1 1 387.480 3.430 20 30 GGEDMO N#CCSc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192220485 1432818525 /nfs/dbraw/zinc/81/85/25/1432818525.db2.gz GNTWJWNATGGRRX-HXUWFJFHSA-N 1 1 395.528 3.323 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357070 1432836104 /nfs/dbraw/zinc/83/61/04/1432836104.db2.gz VKRGTMWBQMNMKH-CVDCTZTESA-N 1 1 379.504 3.358 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357070 1432836107 /nfs/dbraw/zinc/83/61/07/1432836107.db2.gz VKRGTMWBQMNMKH-CVDCTZTESA-N 1 1 379.504 3.358 20 30 GGEDMO COC(=O)[C@@H](C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCC1 ZINC000192379300 1432839417 /nfs/dbraw/zinc/83/94/17/1432839417.db2.gz SPXCXMPDAXREOI-CYBMUJFWSA-N 1 1 389.521 3.243 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192558520 1432859777 /nfs/dbraw/zinc/85/97/77/1432859777.db2.gz QZJQFMHKRSQGBC-JOCHJYFZSA-N 1 1 388.471 3.074 20 30 GGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192558520 1432859779 /nfs/dbraw/zinc/85/97/79/1432859779.db2.gz QZJQFMHKRSQGBC-JOCHJYFZSA-N 1 1 388.471 3.074 20 30 GGEDMO COCc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000192562816 1432860566 /nfs/dbraw/zinc/86/05/66/1432860566.db2.gz CDILPIBGVBSHKI-UHFFFAOYSA-N 1 1 378.476 3.444 20 30 GGEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192609877 1432865722 /nfs/dbraw/zinc/86/57/22/1432865722.db2.gz MSNRSZFXLXZPIA-DGNPVQFGSA-N 1 1 395.528 3.484 20 30 GGEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192609877 1432865723 /nfs/dbraw/zinc/86/57/23/1432865723.db2.gz MSNRSZFXLXZPIA-DGNPVQFGSA-N 1 1 395.528 3.484 20 30 GGEDMO Cn1nc2c(cc1=O)C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC2 ZINC000193060723 1432930065 /nfs/dbraw/zinc/93/00/65/1432930065.db2.gz OFHSVJDLXHYDPN-UHFFFAOYSA-N 1 1 384.483 3.038 20 30 GGEDMO CN1CCN(CCC[N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000193079682 1432933247 /nfs/dbraw/zinc/93/32/47/1432933247.db2.gz UUDGWPWSIIRHFI-UHFFFAOYSA-N 1 1 390.575 3.456 20 30 GGEDMO CN1CCN(CCC[N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000193079682 1432933250 /nfs/dbraw/zinc/93/32/50/1432933250.db2.gz UUDGWPWSIIRHFI-UHFFFAOYSA-N 1 1 390.575 3.456 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2nnc3ccccn32)c1 ZINC000193327692 1432979941 /nfs/dbraw/zinc/97/99/41/1432979941.db2.gz ZLPHNVMFPUTUTH-MSOLQXFVSA-N 1 1 390.491 3.332 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2nnc3ccccn32)cc1 ZINC000193327730 1432980011 /nfs/dbraw/zinc/98/00/11/1432980011.db2.gz KPERUIVXLQPOMF-IAGOWNOFSA-N 1 1 376.464 3.024 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2nnc3ccccn32)c1 ZINC000193327661 1432980028 /nfs/dbraw/zinc/98/00/28/1432980028.db2.gz ZLPHNVMFPUTUTH-ZWKOTPCHSA-N 1 1 390.491 3.332 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2cn3ccccc3c2C#N)CC1 ZINC000193483594 1433006783 /nfs/dbraw/zinc/00/67/83/1433006783.db2.gz HKXXSRRPTHIBAP-UHFFFAOYSA-N 1 1 387.487 3.087 20 30 GGEDMO COc1ccc([C@@H](NC(=O)CO[NH+]=C(N)CCc2ccccc2)C2CC2)cc1 ZINC000193590714 1433025131 /nfs/dbraw/zinc/02/51/31/1433025131.db2.gz WOAHRANXSKYBIO-QFIPXVFZSA-N 1 1 381.476 3.184 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000193751629 1433052158 /nfs/dbraw/zinc/05/21/58/1433052158.db2.gz DLLOJFCQLBKJIU-IBGZPJMESA-N 1 1 392.503 3.246 20 30 GGEDMO CC[N@@H+](CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193757457 1433053724 /nfs/dbraw/zinc/05/37/24/1433053724.db2.gz UZYPPXGKLGEJQG-SFHVURJKSA-N 1 1 398.551 3.047 20 30 GGEDMO N#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193849732 1433072698 /nfs/dbraw/zinc/07/26/98/1433072698.db2.gz FGIHBOHJZXTPIY-KRWDZBQOSA-N 1 1 382.439 3.372 20 30 GGEDMO CCOc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1OC(F)F ZINC000193854067 1433073710 /nfs/dbraw/zinc/07/37/10/1433073710.db2.gz VJSWABKKWGTLRY-UHFFFAOYSA-N 1 1 388.418 3.276 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1 ZINC000194010234 1433100441 /nfs/dbraw/zinc/10/04/41/1433100441.db2.gz PQUYMNBZSLOXGC-QZTJIDSGSA-N 1 1 393.487 3.186 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1 ZINC000194010234 1433100443 /nfs/dbraw/zinc/10/04/43/1433100443.db2.gz PQUYMNBZSLOXGC-QZTJIDSGSA-N 1 1 393.487 3.186 20 30 GGEDMO C=CCOc1ccccc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000194350704 1433165244 /nfs/dbraw/zinc/16/52/44/1433165244.db2.gz AFZAQWMWPJYNJP-GOSISDBHSA-N 1 1 380.488 3.402 20 30 GGEDMO C=CCOc1ccccc1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000194350704 1433165246 /nfs/dbraw/zinc/16/52/46/1433165246.db2.gz AFZAQWMWPJYNJP-GOSISDBHSA-N 1 1 380.488 3.402 20 30 GGEDMO C=CCOc1ccccc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000194350714 1433165290 /nfs/dbraw/zinc/16/52/90/1433165290.db2.gz AFZAQWMWPJYNJP-SFHVURJKSA-N 1 1 380.488 3.402 20 30 GGEDMO C=CCOc1ccccc1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000194350714 1433165293 /nfs/dbraw/zinc/16/52/93/1433165293.db2.gz AFZAQWMWPJYNJP-SFHVURJKSA-N 1 1 380.488 3.402 20 30 GGEDMO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194425691 1433176005 /nfs/dbraw/zinc/17/60/05/1433176005.db2.gz WFVPJRUUUSEASI-NRFANRHFSA-N 1 1 379.479 3.493 20 30 GGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000194868532 1433252866 /nfs/dbraw/zinc/25/28/66/1433252866.db2.gz DOVGPKITGNIULI-LJQANCHMSA-N 1 1 377.872 3.061 20 30 GGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000194868532 1433252867 /nfs/dbraw/zinc/25/28/67/1433252867.db2.gz DOVGPKITGNIULI-LJQANCHMSA-N 1 1 377.872 3.061 20 30 GGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000194873193 1433253881 /nfs/dbraw/zinc/25/38/81/1433253881.db2.gz SPMLIJAXMYTYEG-VBKZILBWSA-N 1 1 375.469 3.006 20 30 GGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000194873193 1433253884 /nfs/dbraw/zinc/25/38/84/1433253884.db2.gz SPMLIJAXMYTYEG-VBKZILBWSA-N 1 1 375.469 3.006 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1OCCCC#N ZINC000194933492 1433267581 /nfs/dbraw/zinc/26/75/81/1433267581.db2.gz WKQIZZFLPOBLEK-KRWDZBQOSA-N 1 1 399.495 3.206 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C2CC2)cc1 ZINC000194958487 1433272344 /nfs/dbraw/zinc/27/23/44/1433272344.db2.gz XMJSPEQCGGHTLK-QFIPXVFZSA-N 1 1 393.462 3.262 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C2CC2)cc1 ZINC000194958487 1433272345 /nfs/dbraw/zinc/27/23/45/1433272345.db2.gz XMJSPEQCGGHTLK-QFIPXVFZSA-N 1 1 393.462 3.262 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C2CC2)cc1 ZINC000194962272 1433273048 /nfs/dbraw/zinc/27/30/48/1433273048.db2.gz QFJCLMOIMVXXSQ-UHFFFAOYSA-N 1 1 388.471 3.288 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C2CC2)cc1 ZINC000194962272 1433273050 /nfs/dbraw/zinc/27/30/50/1433273050.db2.gz QFJCLMOIMVXXSQ-UHFFFAOYSA-N 1 1 388.471 3.288 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C2CC2)cc1 ZINC000194962068 1433273083 /nfs/dbraw/zinc/27/30/83/1433273083.db2.gz BRMBEWBMYAVOSR-UHFFFAOYSA-N 1 1 385.414 3.440 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C2CC2)cc1 ZINC000194962068 1433273085 /nfs/dbraw/zinc/27/30/85/1433273085.db2.gz BRMBEWBMYAVOSR-UHFFFAOYSA-N 1 1 385.414 3.440 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 ZINC000194963204 1433273448 /nfs/dbraw/zinc/27/34/48/1433273448.db2.gz WYWHXGXRMCSWFU-UHFFFAOYSA-N 1 1 376.416 3.020 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 ZINC000194963204 1433273452 /nfs/dbraw/zinc/27/34/52/1433273452.db2.gz WYWHXGXRMCSWFU-UHFFFAOYSA-N 1 1 376.416 3.020 20 30 GGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000195636004 1433342654 /nfs/dbraw/zinc/34/26/54/1433342654.db2.gz QMLATNNJCBGEHK-CVEARBPZSA-N 1 1 381.442 3.477 20 30 GGEDMO NC(CCc1ccccc1)=[NH+]OCC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000195712466 1433345404 /nfs/dbraw/zinc/34/54/04/1433345404.db2.gz AFQLVSOHZREUNZ-UHFFFAOYSA-N 1 1 395.381 3.123 20 30 GGEDMO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000195731840 1433346105 /nfs/dbraw/zinc/34/61/05/1433346105.db2.gz NGCHWOORMULNPI-XZOQPEGZSA-N 1 1 388.515 3.060 20 30 GGEDMO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000198188075 1433348240 /nfs/dbraw/zinc/34/82/40/1433348240.db2.gz WRIGUBOLUFXHLJ-LJQANCHMSA-N 1 1 375.472 3.162 20 30 GGEDMO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000198188065 1433348356 /nfs/dbraw/zinc/34/83/56/1433348356.db2.gz WRIGUBOLUFXHLJ-IBGZPJMESA-N 1 1 375.472 3.162 20 30 GGEDMO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000216488740 1433363963 /nfs/dbraw/zinc/36/39/63/1433363963.db2.gz IUQSYUMCWPJMCT-AZUAARDMSA-N 1 1 393.487 3.484 20 30 GGEDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000216488740 1433363965 /nfs/dbraw/zinc/36/39/65/1433363965.db2.gz IUQSYUMCWPJMCT-AZUAARDMSA-N 1 1 393.487 3.484 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000228290807 1433371241 /nfs/dbraw/zinc/37/12/41/1433371241.db2.gz SBAVZHVHOZGOOM-HOTGVXAUSA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000228290807 1433371243 /nfs/dbraw/zinc/37/12/43/1433371243.db2.gz SBAVZHVHOZGOOM-HOTGVXAUSA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000229125756 1433371803 /nfs/dbraw/zinc/37/18/03/1433371803.db2.gz ISOVRUGUIQLSHH-NVJIOZQYSA-N 1 1 396.579 3.395 20 30 GGEDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000229125756 1433371805 /nfs/dbraw/zinc/37/18/05/1433371805.db2.gz ISOVRUGUIQLSHH-NVJIOZQYSA-N 1 1 396.579 3.395 20 30 GGEDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000229125756 1433371806 /nfs/dbraw/zinc/37/18/06/1433371806.db2.gz ISOVRUGUIQLSHH-NVJIOZQYSA-N 1 1 396.579 3.395 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[NH2+]CCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000237593102 1433411366 /nfs/dbraw/zinc/41/13/66/1433411366.db2.gz INGSAXHWSOOCMO-HYBUGGRVSA-N 1 1 392.547 3.446 20 30 GGEDMO C[C@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201353 1433454920 /nfs/dbraw/zinc/45/49/20/1433454920.db2.gz HQWUOULFYQHYLO-FGTMMUONSA-N 1 1 391.519 3.016 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245387061 1433456966 /nfs/dbraw/zinc/45/69/66/1433456966.db2.gz TWEZKMGXQBXGLO-IIBYNOLFSA-N 1 1 399.470 3.110 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245387061 1433456969 /nfs/dbraw/zinc/45/69/69/1433456969.db2.gz TWEZKMGXQBXGLO-IIBYNOLFSA-N 1 1 399.470 3.110 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000245391928 1433458955 /nfs/dbraw/zinc/45/89/55/1433458955.db2.gz SDSQMOAHPMYSCL-UXHICEINSA-N 1 1 398.551 3.259 20 30 GGEDMO CC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000245431356 1433466381 /nfs/dbraw/zinc/46/63/81/1433466381.db2.gz ARLSZSACHBTDFN-JKSUJKDBSA-N 1 1 388.581 3.347 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000245435327 1433466942 /nfs/dbraw/zinc/46/69/42/1433466942.db2.gz QJXSCULYKRGOQC-OFNKIYASSA-N 1 1 380.488 3.060 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245460219 1433472316 /nfs/dbraw/zinc/47/23/16/1433472316.db2.gz VQNKHCKJZJGRLQ-WIYYLYMNSA-N 1 1 376.504 3.339 20 30 GGEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000245483710 1433476336 /nfs/dbraw/zinc/47/63/36/1433476336.db2.gz FZQLENXEYLDFRH-OAGGEKHMSA-N 1 1 386.565 3.383 20 30 GGEDMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537704 1433482534 /nfs/dbraw/zinc/48/25/34/1433482534.db2.gz YLGWPKYCOUONRD-UXHICEINSA-N 1 1 377.492 3.241 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCCC[C@H]1O ZINC000245552420 1433484014 /nfs/dbraw/zinc/48/40/14/1433484014.db2.gz QKXHTSRSYJGIIX-WMLDXEAASA-N 1 1 375.538 3.310 20 30 GGEDMO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1ccccc1 ZINC000245572914 1433486903 /nfs/dbraw/zinc/48/69/03/1433486903.db2.gz CQWLEDNVSAXDFE-AKIFATBCSA-N 1 1 378.516 3.346 20 30 GGEDMO C#Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000245586065 1433488074 /nfs/dbraw/zinc/48/80/74/1433488074.db2.gz MHWZNLFMUCIWSS-FCHUYYIVSA-N 1 1 382.552 3.469 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245590484 1433488723 /nfs/dbraw/zinc/48/87/23/1433488723.db2.gz GDQFBHIMOWAYIL-LPHOPBHVSA-N 1 1 399.560 3.379 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245590484 1433488724 /nfs/dbraw/zinc/48/87/24/1433488724.db2.gz GDQFBHIMOWAYIL-LPHOPBHVSA-N 1 1 399.560 3.379 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)c(OC)c1 ZINC000245601385 1433489696 /nfs/dbraw/zinc/48/96/96/1433489696.db2.gz PCXBPRRHDILIKF-RTBURBONSA-N 1 1 385.508 3.340 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2[C@@H](C)CCC[C@H]2CO)c1C#N ZINC000245608312 1433490600 /nfs/dbraw/zinc/49/06/00/1433490600.db2.gz KSMUDDXMAKPNMW-JXFKEZNVSA-N 1 1 394.519 3.199 20 30 GGEDMO 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C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245745011 1433510094 /nfs/dbraw/zinc/51/00/94/1433510094.db2.gz MQKHRAMVZJEDFM-PVEYFEBJSA-N 1 1 398.555 3.181 20 30 GGEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000245852132 1433526737 /nfs/dbraw/zinc/52/67/37/1433526737.db2.gz GMEPGBPNEZLXHP-WOJBJXKFSA-N 1 1 394.544 3.294 20 30 GGEDMO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245863668 1433529400 /nfs/dbraw/zinc/52/94/00/1433529400.db2.gz PLPNAYQTGMDAOT-FXAWDEMLSA-N 1 1 394.544 3.076 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000245903693 1433538634 /nfs/dbraw/zinc/53/86/34/1433538634.db2.gz AKABTXBLZHKHRR-FXAWDEMLSA-N 1 1 392.503 3.287 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)C1 ZINC000245914587 1433541246 /nfs/dbraw/zinc/54/12/46/1433541246.db2.gz FHETXWIBXMZLSS-HLAWJBBLSA-N 1 1 386.540 3.468 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245914595 1433541457 /nfs/dbraw/zinc/54/14/57/1433541457.db2.gz FHETXWIBXMZLSS-JBACZVJFSA-N 1 1 386.540 3.468 20 30 GGEDMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245919322 1433542234 /nfs/dbraw/zinc/54/22/34/1433542234.db2.gz XIOKVKBKTHYJIS-JKSUJKDBSA-N 1 1 388.562 3.211 20 30 GGEDMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245919322 1433542241 /nfs/dbraw/zinc/54/22/41/1433542241.db2.gz XIOKVKBKTHYJIS-JKSUJKDBSA-N 1 1 388.562 3.211 20 30 GGEDMO CC(C)[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245928698 1433545821 /nfs/dbraw/zinc/54/58/21/1433545821.db2.gz XUBWYMZAMSOKOV-JBYIUTFZSA-N 1 1 399.535 3.062 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000245957752 1433550607 /nfs/dbraw/zinc/55/06/07/1433550607.db2.gz CGPADNAMZCASCS-RBUKOAKNSA-N 1 1 387.277 3.428 20 30 GGEDMO 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C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@H]1C ZINC000245961467 1433551003 /nfs/dbraw/zinc/55/10/03/1433551003.db2.gz UVXIJZJEMBCFDH-KURKYZTESA-N 1 1 398.551 3.334 20 30 GGEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@H]1C ZINC000245961467 1433551005 /nfs/dbraw/zinc/55/10/05/1433551005.db2.gz UVXIJZJEMBCFDH-KURKYZTESA-N 1 1 398.551 3.334 20 30 GGEDMO C[C@H](C#N)Oc1ccc(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000246018706 1433558241 /nfs/dbraw/zinc/55/82/41/1433558241.db2.gz URNQQBHRMNXPLF-IERDGZPVSA-N 1 1 378.476 3.039 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1)CC(F)(F)F ZINC000246100312 1433568462 /nfs/dbraw/zinc/56/84/62/1433568462.db2.gz AYHQVOXCMFZPLQ-CABCVRRESA-N 1 1 382.430 3.091 20 30 GGEDMO CCN(C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1)CC(F)(F)F ZINC000246100312 1433568464 /nfs/dbraw/zinc/56/84/64/1433568464.db2.gz AYHQVOXCMFZPLQ-CABCVRRESA-N 1 1 382.430 3.091 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000246101193 1433568794 /nfs/dbraw/zinc/56/87/94/1433568794.db2.gz MGQDKDHPJJTNSN-JKSUJKDBSA-N 1 1 395.956 3.487 20 30 GGEDMO CC(C)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000246137709 1433573511 /nfs/dbraw/zinc/57/35/11/1433573511.db2.gz KEESOTHCZOUUBB-RBBKRZOGSA-N 1 1 386.467 3.129 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000246221029 1433583362 /nfs/dbraw/zinc/58/33/62/1433583362.db2.gz LLVDPNBPYMOORY-NQIIRXRSSA-N 1 1 385.533 3.338 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000246221029 1433583364 /nfs/dbraw/zinc/58/33/64/1433583364.db2.gz LLVDPNBPYMOORY-NQIIRXRSSA-N 1 1 385.533 3.338 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000246224333 1433583984 /nfs/dbraw/zinc/58/39/84/1433583984.db2.gz VQFITTGERBCISJ-HZPDHXFCSA-N 1 1 395.956 3.487 20 30 GGEDMO 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GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248326051 1433785613 /nfs/dbraw/zinc/78/56/13/1433785613.db2.gz BQOCEZNYAUFYSD-MJGOQNOKSA-N 1 1 390.487 3.027 20 30 GGEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@@H]1C ZINC000248333590 1433786694 /nfs/dbraw/zinc/78/66/94/1433786694.db2.gz FUOUHHZYVNDXNX-BRWVUGGUSA-N 1 1 384.524 3.086 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248407686 1433800022 /nfs/dbraw/zinc/80/00/22/1433800022.db2.gz BSDPNHUNBHKTJX-HUUCEWRRSA-N 1 1 397.445 3.270 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248407686 1433800023 /nfs/dbraw/zinc/80/00/23/1433800023.db2.gz BSDPNHUNBHKTJX-HUUCEWRRSA-N 1 1 397.445 3.270 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248415347 1433800927 /nfs/dbraw/zinc/80/09/27/1433800927.db2.gz HUWOVUCSPGAAON-XJKSGUPXSA-N 1 1 391.397 3.438 20 30 GGEDMO 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C=CCC[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000250112822 1433854462 /nfs/dbraw/zinc/85/44/62/1433854462.db2.gz TYDRBKCICZOZEN-ZLNRFVROSA-N 1 1 378.516 3.488 20 30 GGEDMO CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000250279444 1433855450 /nfs/dbraw/zinc/85/54/50/1433855450.db2.gz BODWXXMIOYCHEY-FPOVZHCZSA-N 1 1 396.535 3.072 20 30 GGEDMO CCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000250525685 1433856644 /nfs/dbraw/zinc/85/66/44/1433856644.db2.gz QIFRACGXHGXAKT-UXHICEINSA-N 1 1 398.551 3.177 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000250997545 1433857588 /nfs/dbraw/zinc/85/75/88/1433857588.db2.gz XILCRSYGSBHVFX-NQIIRXRSSA-N 1 1 393.535 3.298 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000251016664 1433857646 /nfs/dbraw/zinc/85/76/46/1433857646.db2.gz WWAFNQHCURYCNV-IRXDYDNUSA-N 1 1 390.553 3.297 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000253359845 1433866244 /nfs/dbraw/zinc/86/62/44/1433866244.db2.gz NMGIOLKZCHVDOR-ZCNNSNEGSA-N 1 1 398.551 3.339 20 30 GGEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000253542691 1433868440 /nfs/dbraw/zinc/86/84/40/1433868440.db2.gz JBZHPGQAJBFCPO-VQIMIIECSA-N 1 1 398.551 3.321 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000253607654 1433870394 /nfs/dbraw/zinc/87/03/94/1433870394.db2.gz PMEAZZAIYKYDRS-QHCPKHFHSA-N 1 1 380.532 3.363 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000253607654 1433870395 /nfs/dbraw/zinc/87/03/95/1433870395.db2.gz PMEAZZAIYKYDRS-QHCPKHFHSA-N 1 1 380.532 3.363 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000253607654 1433870396 /nfs/dbraw/zinc/87/03/96/1433870396.db2.gz PMEAZZAIYKYDRS-QHCPKHFHSA-N 1 1 380.532 3.363 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000255236655 1433878719 /nfs/dbraw/zinc/87/87/19/1433878719.db2.gz KGIPXGKGBXIOEN-GDNBJRDFSA-N 1 1 399.491 3.206 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000255236655 1433878720 /nfs/dbraw/zinc/87/87/20/1433878720.db2.gz KGIPXGKGBXIOEN-GDNBJRDFSA-N 1 1 399.491 3.206 20 30 GGEDMO C[NH+]1CCN(C(=O)Cc2ccc(N=Cc3cc4ccccc4[nH]c3=O)cc2)CC1 ZINC000255502909 1433883626 /nfs/dbraw/zinc/88/36/26/1433883626.db2.gz UAZDAHWEYLPVNI-UHFFFAOYSA-N 1 1 388.471 3.008 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C=NOC)cc1 ZINC000255577760 1433885864 /nfs/dbraw/zinc/88/58/64/1433885864.db2.gz QKRSLSWHIACYPY-OAQYLSRUSA-N 1 1 380.492 3.189 20 30 GGEDMO CC[C@H](NC(=O)c1ccc(C=NOC)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000255756049 1433888939 /nfs/dbraw/zinc/88/89/39/1433888939.db2.gz PZPZMQIADIEMMX-FCHUYYIVSA-N 1 1 395.503 3.076 20 30 GGEDMO CC[C@H](NC(=O)c1ccc(C=NOC)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000255756049 1433888940 /nfs/dbraw/zinc/88/89/40/1433888940.db2.gz PZPZMQIADIEMMX-FCHUYYIVSA-N 1 1 395.503 3.076 20 30 GGEDMO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000255955913 1433892718 /nfs/dbraw/zinc/89/27/18/1433892718.db2.gz MSAGXZHRPOXGEN-HOTGVXAUSA-N 1 1 381.442 3.477 20 30 GGEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261941114 1433914985 /nfs/dbraw/zinc/91/49/85/1433914985.db2.gz KMPBFPCDDGIPNY-IBGZPJMESA-N 1 1 398.894 3.035 20 30 GGEDMO [NH2+]=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262347880 1433935832 /nfs/dbraw/zinc/93/58/32/1433935832.db2.gz UFAUBVJSWSKNKS-INIZCTEOSA-N 1 1 386.521 3.473 20 30 GGEDMO [NH2+]=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262347885 1433935891 /nfs/dbraw/zinc/93/58/91/1433935891.db2.gz UFAUBVJSWSKNKS-MRXNPFEDSA-N 1 1 386.521 3.473 20 30 GGEDMO COc1ccc(-c2n[nH]c(CNC(=[NH2+])Nc3cccc4c3CCCC4)n2)cc1 ZINC000262472979 1433940430 /nfs/dbraw/zinc/94/04/30/1433940430.db2.gz PJHUZTAHICLBOP-UHFFFAOYSA-N 1 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ZINC000270463113 1434735592 /nfs/dbraw/zinc/73/55/92/1434735592.db2.gz DPCRFLNLSBDECR-HSZRJFAPSA-N 1 1 389.499 3.410 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc([C@@H]4CCOC4)c3)CC2)cc1 ZINC000270463113 1434735594 /nfs/dbraw/zinc/73/55/94/1434735594.db2.gz DPCRFLNLSBDECR-HSZRJFAPSA-N 1 1 389.499 3.410 20 30 GGEDMO C=C(C)COc1cc(CNCc2ccnc(OCC[NH+](C)C)c2)ccc1OC ZINC000270724048 1434766668 /nfs/dbraw/zinc/76/66/68/1434766668.db2.gz OYRBHGGFRJRHBA-UHFFFAOYSA-N 1 1 385.508 3.275 20 30 GGEDMO N#CCCn1cc(C[NH+]2CCN(Cc3ccco3)CC2)c(-c2ccccc2)n1 ZINC000271023353 1434796574 /nfs/dbraw/zinc/79/65/74/1434796574.db2.gz CRULCJZZADYNID-UHFFFAOYSA-N 1 1 375.476 3.375 20 30 GGEDMO COc1ccccc1C[N@H+](CCO)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271092304 1434801364 /nfs/dbraw/zinc/80/13/64/1434801364.db2.gz INVCVCLSOJNKFX-UHFFFAOYSA-N 1 1 384.476 3.381 20 30 GGEDMO COc1ccccc1C[N@@H+](CCO)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271092304 1434801366 /nfs/dbraw/zinc/80/13/66/1434801366.db2.gz INVCVCLSOJNKFX-UHFFFAOYSA-N 1 1 384.476 3.381 20 30 GGEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC000271139675 1434804368 /nfs/dbraw/zinc/80/43/68/1434804368.db2.gz OICGFJIRYSIECX-KRWDZBQOSA-N 1 1 389.496 3.477 20 30 GGEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC000271139675 1434804369 /nfs/dbraw/zinc/80/43/69/1434804369.db2.gz OICGFJIRYSIECX-KRWDZBQOSA-N 1 1 389.496 3.477 20 30 GGEDMO CN(CCC#N)c1ccc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)cc1 ZINC000271161376 1434805624 /nfs/dbraw/zinc/80/56/24/1434805624.db2.gz AMAHDVVKKSBVEE-UHFFFAOYSA-N 1 1 396.539 3.035 20 30 GGEDMO C=CCOc1cccc(C[N@@H+]2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)c1 ZINC000271225687 1434809275 /nfs/dbraw/zinc/80/92/75/1434809275.db2.gz ALDBEKZJZKMXMX-QGZVFWFLSA-N 1 1 386.496 3.050 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCc3cnccn3)sc2C1 ZINC000271354249 1434818605 /nfs/dbraw/zinc/81/86/05/1434818605.db2.gz PATYNEXRLZUBTR-CQSZACIVSA-N 1 1 383.521 3.038 20 30 GGEDMO C=CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000271465598 1434827118 /nfs/dbraw/zinc/82/71/18/1434827118.db2.gz QGUIREBYWLGZOT-QGZVFWFLSA-N 1 1 382.508 3.006 20 30 GGEDMO C=CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000271465598 1434827119 /nfs/dbraw/zinc/82/71/19/1434827119.db2.gz QGUIREBYWLGZOT-QGZVFWFLSA-N 1 1 382.508 3.006 20 30 GGEDMO C=CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000271465595 1434827126 /nfs/dbraw/zinc/82/71/26/1434827126.db2.gz QGUIREBYWLGZOT-KRWDZBQOSA-N 1 1 382.508 3.006 20 30 GGEDMO C=CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000271465595 1434827128 /nfs/dbraw/zinc/82/71/28/1434827128.db2.gz QGUIREBYWLGZOT-KRWDZBQOSA-N 1 1 382.508 3.006 20 30 GGEDMO Cn1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1-c1ccccc1 ZINC000271680313 1434843803 /nfs/dbraw/zinc/84/38/03/1434843803.db2.gz GDFYUQYJSUXCJQ-UHFFFAOYSA-N 1 1 399.498 3.307 20 30 GGEDMO Cn1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1-c1ccccc1 ZINC000271680313 1434843805 /nfs/dbraw/zinc/84/38/05/1434843805.db2.gz GDFYUQYJSUXCJQ-UHFFFAOYSA-N 1 1 399.498 3.307 20 30 GGEDMO C[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000271729969 1434846683 /nfs/dbraw/zinc/84/66/83/1434846683.db2.gz ZORZFFPPZSNMMP-GOSISDBHSA-N 1 1 376.504 3.121 20 30 GGEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917370 1434859200 /nfs/dbraw/zinc/85/92/00/1434859200.db2.gz ZGQWVRSROSMQKB-HARLFGEKSA-N 1 1 379.504 3.123 20 30 GGEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917370 1434859201 /nfs/dbraw/zinc/85/92/01/1434859201.db2.gz ZGQWVRSROSMQKB-HARLFGEKSA-N 1 1 379.504 3.123 20 30 GGEDMO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1CCC#N ZINC000272008914 1434865447 /nfs/dbraw/zinc/86/54/47/1434865447.db2.gz AJZCINBWSMCNFZ-INIZCTEOSA-N 1 1 386.525 3.200 20 30 GGEDMO Cc1cc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)nn1CCC#N ZINC000272023266 1434866697 /nfs/dbraw/zinc/86/66/97/1434866697.db2.gz COIPGNXKDNKMBK-UHFFFAOYSA-N 1 1 394.523 3.481 20 30 GGEDMO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1CCC#N ZINC000272036836 1434867943 /nfs/dbraw/zinc/86/79/43/1434867943.db2.gz FGGMDSHQWFWKSO-VQIMIIECSA-N 1 1 380.496 3.280 20 30 GGEDMO C#CCC[NH+]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000272052774 1434869142 /nfs/dbraw/zinc/86/91/42/1434869142.db2.gz UVVKRITUMQSSRE-UHFFFAOYSA-N 1 1 395.551 3.061 20 30 GGEDMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1CCC#N ZINC000272121685 1434873477 /nfs/dbraw/zinc/87/34/77/1434873477.db2.gz SIOFOYWMBGKXQA-SFHVURJKSA-N 1 1 380.496 3.234 20 30 GGEDMO Cc1cc(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)nn1CCC#N ZINC000272163967 1434875767 /nfs/dbraw/zinc/87/57/67/1434875767.db2.gz ZFWGZOYNHBCEKS-LFUKPOHLSA-N 1 1 394.523 3.383 20 30 GGEDMO COC(=O)[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000272183085 1434876557 /nfs/dbraw/zinc/87/65/57/1434876557.db2.gz ITQOJLVGRACYHT-MTNREXPMSA-N 1 1 377.488 3.273 20 30 GGEDMO COC(=O)[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000272183082 1434876582 /nfs/dbraw/zinc/87/65/82/1434876582.db2.gz ITQOJLVGRACYHT-BULFRSBZSA-N 1 1 377.488 3.273 20 30 GGEDMO C[C@H](NC(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272203245 1434877836 /nfs/dbraw/zinc/87/78/36/1434877836.db2.gz DKGJSAJSWBVVSJ-GHTZIAJQSA-N 1 1 377.488 3.158 20 30 GGEDMO C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272203247 1434877948 /nfs/dbraw/zinc/87/79/48/1434877948.db2.gz DKGJSAJSWBVVSJ-NQIIRXRSSA-N 1 1 377.488 3.158 20 30 GGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@@H]2C1 ZINC000272273447 1434883250 /nfs/dbraw/zinc/88/32/50/1434883250.db2.gz CREMEFRKTKFXON-SJLPKXTDSA-N 1 1 381.505 3.163 20 30 GGEDMO C=CC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)CCc1ccco1 ZINC000272270786 1434883256 /nfs/dbraw/zinc/88/32/56/1434883256.db2.gz LLIJXQKFEWTOCR-UHFFFAOYSA-N 1 1 383.492 3.176 20 30 GGEDMO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000272284171 1434884259 /nfs/dbraw/zinc/88/42/59/1434884259.db2.gz GAEKUTYNDKZZMR-IEBWSBKVSA-N 1 1 393.491 3.440 20 30 GGEDMO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000272284171 1434884260 /nfs/dbraw/zinc/88/42/60/1434884260.db2.gz GAEKUTYNDKZZMR-IEBWSBKVSA-N 1 1 393.491 3.440 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272444820 1434896850 /nfs/dbraw/zinc/89/68/50/1434896850.db2.gz JAIXPEWDNNJIER-UXLLHSPISA-N 1 1 386.496 3.120 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272444820 1434896851 /nfs/dbraw/zinc/89/68/51/1434896851.db2.gz JAIXPEWDNNJIER-UXLLHSPISA-N 1 1 386.496 3.120 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272509566 1434902020 /nfs/dbraw/zinc/90/20/20/1434902020.db2.gz WUNPZKLAKVURAL-SFHVURJKSA-N 1 1 387.491 3.334 20 30 GGEDMO Cn1cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272509566 1434902023 /nfs/dbraw/zinc/90/20/23/1434902023.db2.gz WUNPZKLAKVURAL-SFHVURJKSA-N 1 1 387.491 3.334 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272509566 1434902026 /nfs/dbraw/zinc/90/20/26/1434902026.db2.gz WUNPZKLAKVURAL-SFHVURJKSA-N 1 1 387.491 3.334 20 30 GGEDMO C=CCN(CCc1ccco1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000272514325 1434902748 /nfs/dbraw/zinc/90/27/48/1434902748.db2.gz XIVSMOMXEJZWOV-UHFFFAOYSA-N 1 1 383.492 3.417 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000272540138 1434905660 /nfs/dbraw/zinc/90/56/60/1434905660.db2.gz ROZRIMLIJVJMCW-NVXWUHKLSA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000272592121 1434911989 /nfs/dbraw/zinc/91/19/89/1434911989.db2.gz XKHCADXZOMPRDS-WMLDXEAASA-N 1 1 397.479 3.343 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000272592121 1434911992 /nfs/dbraw/zinc/91/19/92/1434911992.db2.gz XKHCADXZOMPRDS-WMLDXEAASA-N 1 1 397.479 3.343 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc([C@@H]4CCCO4)s3)C2=O)cc1 ZINC000272621344 1434916406 /nfs/dbraw/zinc/91/64/06/1434916406.db2.gz WGAOLBCASVIGTD-MSOLQXFVSA-N 1 1 382.489 3.151 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1)C1CC1 ZINC000272816117 1434933225 /nfs/dbraw/zinc/93/32/25/1434933225.db2.gz HWDGUPBQZZNKDT-CTNGQTDRSA-N 1 1 382.895 3.417 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)C1CC1 ZINC000272816118 1434933309 /nfs/dbraw/zinc/93/33/09/1434933309.db2.gz HWDGUPBQZZNKDT-FPOVZHCZSA-N 1 1 382.895 3.417 20 30 GGEDMO N#CCCN(C(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000273087919 1434959239 /nfs/dbraw/zinc/95/92/39/1434959239.db2.gz IXEFGFAWTYUFHP-SFHVURJKSA-N 1 1 375.831 3.049 20 30 GGEDMO COCC[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000273207747 1434972511 /nfs/dbraw/zinc/97/25/11/1434972511.db2.gz BBZIILJBHGTBFI-QGZVFWFLSA-N 1 1 394.393 3.134 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000273318936 1434980453 /nfs/dbraw/zinc/98/04/53/1434980453.db2.gz OWXJOPXIGJKNHD-VONMNZPZSA-N 1 1 390.574 3.361 20 30 GGEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273538490 1434995388 /nfs/dbraw/zinc/99/53/88/1434995388.db2.gz SOEFTMBMGUDZRD-RZUBCFFCSA-N 1 1 384.451 3.289 20 30 GGEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273538488 1434995479 /nfs/dbraw/zinc/99/54/79/1434995479.db2.gz SOEFTMBMGUDZRD-ONTIZHBOSA-N 1 1 384.451 3.289 20 30 GGEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788826 1435092471 /nfs/dbraw/zinc/09/24/71/1435092471.db2.gz BOHAZDDEWPJURT-ZJOUEHCJSA-N 1 1 382.552 3.218 20 30 GGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788826 1435092473 /nfs/dbraw/zinc/09/24/73/1435092473.db2.gz BOHAZDDEWPJURT-ZJOUEHCJSA-N 1 1 382.552 3.218 20 30 GGEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000274803260 1435093951 /nfs/dbraw/zinc/09/39/51/1435093951.db2.gz BDXDKPFDCRNDRY-KRWDZBQOSA-N 1 1 397.479 3.343 20 30 GGEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000274803260 1435093953 /nfs/dbraw/zinc/09/39/53/1435093953.db2.gz BDXDKPFDCRNDRY-KRWDZBQOSA-N 1 1 397.479 3.343 20 30 GGEDMO Cc1oc(NC(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274881116 1435100616 /nfs/dbraw/zinc/10/06/16/1435100616.db2.gz ZRVCNWLYYCXPNT-QRWLVFNGSA-N 1 1 380.492 3.207 20 30 GGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275991104 1435184377 /nfs/dbraw/zinc/18/43/77/1435184377.db2.gz GFEMQYHCDPPXHM-YLJYHZDGSA-N 1 1 379.508 3.054 20 30 GGEDMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000277028222 1435253797 /nfs/dbraw/zinc/25/37/97/1435253797.db2.gz KAIYQNJPRTXYAE-YVNCXZRQSA-N 1 1 397.519 3.226 20 30 GGEDMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000277028222 1435253802 /nfs/dbraw/zinc/25/38/02/1435253802.db2.gz KAIYQNJPRTXYAE-YVNCXZRQSA-N 1 1 397.519 3.226 20 30 GGEDMO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000277091602 1435261287 /nfs/dbraw/zinc/26/12/87/1435261287.db2.gz UFTKOODCSFOLDI-ZHACJKMWSA-N 1 1 397.519 3.226 20 30 GGEDMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000277091602 1435261292 /nfs/dbraw/zinc/26/12/92/1435261292.db2.gz UFTKOODCSFOLDI-ZHACJKMWSA-N 1 1 397.519 3.226 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277756241 1435327477 /nfs/dbraw/zinc/32/74/77/1435327477.db2.gz JUAMLASORMAZRY-KGLIPLIRSA-N 1 1 397.445 3.339 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277756241 1435327481 /nfs/dbraw/zinc/32/74/81/1435327481.db2.gz JUAMLASORMAZRY-KGLIPLIRSA-N 1 1 397.445 3.339 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(CC(=O)Nc3ccc(CCCC)cc3)no2)CC1 ZINC000277827444 1435334195 /nfs/dbraw/zinc/33/41/95/1435334195.db2.gz KJMFURJUCLGSTD-UHFFFAOYSA-N 1 1 380.492 3.406 20 30 GGEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@H](O)COc1ccccc1 ZINC000277839298 1435335008 /nfs/dbraw/zinc/33/50/08/1435335008.db2.gz RWYZCSYXSHKEOH-IBGZPJMESA-N 1 1 381.476 3.037 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949209 1435345084 /nfs/dbraw/zinc/34/50/84/1435345084.db2.gz ZVVXMZVECRQQFD-WBMJQRKESA-N 1 1 389.805 3.175 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(Cc3ccc(OC)c(OC(F)F)c3)no2)CC1 ZINC000278180881 1435367252 /nfs/dbraw/zinc/36/72/52/1435367252.db2.gz UHBSHXSLAGGHLX-UHFFFAOYSA-N 1 1 377.391 3.083 20 30 GGEDMO COC[C@@H](C)OC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000278458720 1435392489 /nfs/dbraw/zinc/39/24/89/1435392489.db2.gz YNKNPTWYOTUIOV-VGSWGCGISA-N 1 1 386.467 3.112 20 30 GGEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278587326 1435402666 /nfs/dbraw/zinc/40/26/66/1435402666.db2.gz YUSDPFDFIASHNL-MRXNPFEDSA-N 1 1 386.496 3.062 20 30 GGEDMO CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1C#N ZINC000278830447 1435428508 /nfs/dbraw/zinc/42/85/08/1435428508.db2.gz JREDZSMBAXRSKD-INIZCTEOSA-N 1 1 386.496 3.062 20 30 GGEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278833800 1435428863 /nfs/dbraw/zinc/42/88/63/1435428863.db2.gz AFHWIRMTKLSQSP-GOSISDBHSA-N 1 1 395.507 3.412 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H](C)C1 ZINC000279110784 1435461537 /nfs/dbraw/zinc/46/15/37/1435461537.db2.gz UUTWUDWTUWPOGP-VQIMIIECSA-N 1 1 396.491 3.080 20 30 GGEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000279565024 1435513675 /nfs/dbraw/zinc/51/36/75/1435513675.db2.gz PEIQBAZEOGCEPE-HSZRJFAPSA-N 1 1 398.510 3.290 20 30 GGEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000279697972 1435531262 /nfs/dbraw/zinc/53/12/62/1435531262.db2.gz JACLVSDCUZKZCJ-VQTJNVASSA-N 1 1 376.460 3.177 20 30 GGEDMO C[NH+](C)[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000279988683 1435572992 /nfs/dbraw/zinc/57/29/92/1435572992.db2.gz OQVKFAYLBBYULT-PXNSSMCTSA-N 1 1 380.879 3.313 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000280171921 1435603348 /nfs/dbraw/zinc/60/33/48/1435603348.db2.gz SNYSYFUTJZSEGB-YFXJRYMSSA-N 1 1 386.499 3.410 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280289356 1435627310 /nfs/dbraw/zinc/62/73/10/1435627310.db2.gz FALLNCXLNRDCSR-LEOXJPRUSA-N 1 1 386.499 3.267 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)c1C ZINC000280288138 1435627361 /nfs/dbraw/zinc/62/73/61/1435627361.db2.gz DZEWFDOWWKWOMZ-NRFANRHFSA-N 1 1 392.503 3.099 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)c1C ZINC000280288138 1435627365 /nfs/dbraw/zinc/62/73/65/1435627365.db2.gz DZEWFDOWWKWOMZ-NRFANRHFSA-N 1 1 392.503 3.099 20 30 GGEDMO N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000280399222 1435653348 /nfs/dbraw/zinc/65/33/48/1435653348.db2.gz XPVHCBKUTKINPZ-OAQYLSRUSA-N 1 1 399.454 3.290 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000280422388 1435657837 /nfs/dbraw/zinc/65/78/37/1435657837.db2.gz IVRFQRRLTGXREN-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000280422388 1435657846 /nfs/dbraw/zinc/65/78/46/1435657846.db2.gz IVRFQRRLTGXREN-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](CC2CCC2)[C@H](C)CO)c1C#N ZINC000280569726 1435681588 /nfs/dbraw/zinc/68/15/88/1435681588.db2.gz RUZHERSVJDYNIZ-OAHLLOKOSA-N 1 1 398.507 3.039 20 30 GGEDMO C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1C#N ZINC000280596914 1435685927 /nfs/dbraw/zinc/68/59/27/1435685927.db2.gz UUJNPYYYAJMCMU-LRDDRELGSA-N 1 1 393.365 3.107 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280703205 1435706526 /nfs/dbraw/zinc/70/65/26/1435706526.db2.gz AQBUXBONKUYNQB-RDTXWAMCSA-N 1 1 384.867 3.225 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280703205 1435706535 /nfs/dbraw/zinc/70/65/35/1435706535.db2.gz AQBUXBONKUYNQB-RDTXWAMCSA-N 1 1 384.867 3.225 20 30 GGEDMO Cc1noc(C)c1C(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280867965 1435733446 /nfs/dbraw/zinc/73/34/46/1435733446.db2.gz SPBJUDWAUWDFKM-UHFFFAOYSA-N 1 1 380.492 3.175 20 30 GGEDMO Cc1noc(C)c1C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280867965 1435733447 /nfs/dbraw/zinc/73/34/47/1435733447.db2.gz SPBJUDWAUWDFKM-UHFFFAOYSA-N 1 1 380.492 3.175 20 30 GGEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000281088856 1435772030 /nfs/dbraw/zinc/77/20/30/1435772030.db2.gz PVILIRPGQBJHIZ-VQIMIIECSA-N 1 1 375.538 3.338 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000281164122 1435787384 /nfs/dbraw/zinc/78/73/84/1435787384.db2.gz CPHXJUBFIMOHTQ-ACRUOGEOSA-N 1 1 386.540 3.059 20 30 GGEDMO CC(C)N1CC[NH+](C2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000281265610 1435801550 /nfs/dbraw/zinc/80/15/50/1435801550.db2.gz QWZFRJZGTMTFJL-UHFFFAOYSA-N 1 1 382.552 3.118 20 30 GGEDMO Cc1oc(C#N)cc1C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281285193 1435802364 /nfs/dbraw/zinc/80/23/64/1435802364.db2.gz MJUIYTCYEMZQLB-KRWDZBQOSA-N 1 1 375.432 3.356 20 30 GGEDMO N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)n2)c1 ZINC000281333385 1435804135 /nfs/dbraw/zinc/80/41/35/1435804135.db2.gz SCBMLRPYOIXYKX-NRFANRHFSA-N 1 1 399.498 3.038 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000281352768 1435805035 /nfs/dbraw/zinc/80/50/35/1435805035.db2.gz WWVYTWSBWKGRDO-IFMALSPDSA-N 1 1 391.515 3.101 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000281352863 1435805077 /nfs/dbraw/zinc/80/50/77/1435805077.db2.gz DQDIUNJSHRIPJA-FIKGOQFSSA-N 1 1 399.535 3.083 20 30 GGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000281393907 1435807021 /nfs/dbraw/zinc/80/70/21/1435807021.db2.gz NBFGMYOPDLPKFV-AZFSHXRASA-N 1 1 375.900 3.412 20 30 GGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@H](C)C1 ZINC000281451496 1435809509 /nfs/dbraw/zinc/80/95/09/1435809509.db2.gz AHKZHXYBXDTTOX-OXQOHEQNSA-N 1 1 394.519 3.463 20 30 GGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@H](C)C1 ZINC000281451496 1435809510 /nfs/dbraw/zinc/80/95/10/1435809510.db2.gz AHKZHXYBXDTTOX-OXQOHEQNSA-N 1 1 394.519 3.463 20 30 GGEDMO C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000281504670 1435811645 /nfs/dbraw/zinc/81/16/45/1435811645.db2.gz WYPXKOUJYBWMMH-WMZOPIPTSA-N 1 1 377.492 3.127 20 30 GGEDMO COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)ccc1C#N ZINC000281823006 1435823203 /nfs/dbraw/zinc/82/32/03/1435823203.db2.gz XCTQHFGXORBWID-MRXNPFEDSA-N 1 1 382.483 3.309 20 30 GGEDMO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[C@@H](C)C1 ZINC000282048955 1435832584 /nfs/dbraw/zinc/83/25/84/1435832584.db2.gz AYYBNYJNACAWNN-YOEHRIQHSA-N 1 1 384.480 3.056 20 30 GGEDMO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[C@@H](C)C1 ZINC000282048955 1435832585 /nfs/dbraw/zinc/83/25/85/1435832585.db2.gz AYYBNYJNACAWNN-YOEHRIQHSA-N 1 1 384.480 3.056 20 30 GGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000282067838 1435833360 /nfs/dbraw/zinc/83/33/60/1435833360.db2.gz SPEWJTACXWFXCQ-UHFFFAOYSA-N 1 1 386.496 3.006 20 30 GGEDMO N#CC1(CCC[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000282130596 1435835788 /nfs/dbraw/zinc/83/57/88/1435835788.db2.gz YSERWXQBWKSAOI-UHFFFAOYSA-N 1 1 389.927 3.127 20 30 GGEDMO COc1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1OCCCC#N ZINC000282249089 1435840059 /nfs/dbraw/zinc/84/00/59/1435840059.db2.gz GLXPWLRHVARFPR-JOCHJYFZSA-N 1 1 382.460 3.138 20 30 GGEDMO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000282258953 1435840478 /nfs/dbraw/zinc/84/04/78/1435840478.db2.gz LLBPDNQJJACJPF-FQEVSTJZSA-N 1 1 383.540 3.349 20 30 GGEDMO C=CCn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000282306704 1435842460 /nfs/dbraw/zinc/84/24/60/1435842460.db2.gz PCJLRIXRCWKXHL-QGZVFWFLSA-N 1 1 394.548 3.395 20 30 GGEDMO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000282341792 1435843808 /nfs/dbraw/zinc/84/38/08/1435843808.db2.gz RQDJUWKHRJQPRG-MRXNPFEDSA-N 1 1 384.484 3.207 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282442648 1435847346 /nfs/dbraw/zinc/84/73/46/1435847346.db2.gz ZORMOFVOKVJSDO-INIZCTEOSA-N 1 1 389.569 3.086 20 30 GGEDMO C=CCn1c(COc2ccccc2F)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000282469196 1435848279 /nfs/dbraw/zinc/84/82/79/1435848279.db2.gz BOESJTNIDMMWIB-QGZVFWFLSA-N 1 1 387.503 3.350 20 30 GGEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000282482773 1435848778 /nfs/dbraw/zinc/84/87/78/1435848778.db2.gz NJMVJHVFWKTWDI-HNNXBMFYSA-N 1 1 378.505 3.298 20 30 GGEDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1SCC#N ZINC000282540645 1435850834 /nfs/dbraw/zinc/85/08/34/1435850834.db2.gz WAHYCXWRIRKMEY-UHFFFAOYSA-N 1 1 384.461 3.323 20 30 GGEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1SCC#N ZINC000282540645 1435850835 /nfs/dbraw/zinc/85/08/35/1435850835.db2.gz WAHYCXWRIRKMEY-UHFFFAOYSA-N 1 1 384.461 3.323 20 30 GGEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000283360219 1435885959 /nfs/dbraw/zinc/88/59/59/1435885959.db2.gz SWKOTDIAHNXPEZ-INIZCTEOSA-N 1 1 397.552 3.199 20 30 GGEDMO CN(CCC#N)c1ccc(CNc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000283467322 1435891225 /nfs/dbraw/zinc/89/12/25/1435891225.db2.gz SCNBAXBMRBIVGT-UHFFFAOYSA-N 1 1 391.519 3.036 20 30 GGEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000283553126 1435895137 /nfs/dbraw/zinc/89/51/37/1435895137.db2.gz IHCPQBLZCHKYSH-UHFFFAOYSA-N 1 1 399.502 3.110 20 30 GGEDMO C[NH+]1CCN(C(=O)c2ccc(NCc3ccc(F)c(C#N)c3Cl)cc2)CC1 ZINC000283561470 1435895508 /nfs/dbraw/zinc/89/55/08/1435895508.db2.gz ZDPXWZDYJNVHKN-UHFFFAOYSA-N 1 1 386.858 3.350 20 30 GGEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000283581614 1435896566 /nfs/dbraw/zinc/89/65/66/1435896566.db2.gz KJLNLRXJECNKQY-PXNSSMCTSA-N 1 1 378.524 3.369 20 30 GGEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000283581626 1435896568 /nfs/dbraw/zinc/89/65/68/1435896568.db2.gz KJLNLRXJECNKQY-YLJYHZDGSA-N 1 1 378.524 3.369 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1C#N ZINC000284801105 1436051158 /nfs/dbraw/zinc/05/11/58/1436051158.db2.gz OPVAZURTZBVUKQ-WOJBJXKFSA-N 1 1 396.491 3.200 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1C#N ZINC000284801105 1436051159 /nfs/dbraw/zinc/05/11/59/1436051159.db2.gz OPVAZURTZBVUKQ-WOJBJXKFSA-N 1 1 396.491 3.200 20 30 GGEDMO C[C@@H]([NH2+]CC=CC[NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584885 1441723202 /nfs/dbraw/zinc/72/32/02/1441723202.db2.gz IXYRIIPHWTVJSQ-OPCNFVSTSA-N 1 1 387.491 3.296 20 30 GGEDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001164634027 719255556 /nfs/dbraw/zinc/25/55/56/719255556.db2.gz LYZFQVAKZPIEOW-YUMQZZPRSA-N 1 1 383.752 3.094 20 30 GGEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001164634027 719255559 /nfs/dbraw/zinc/25/55/59/719255559.db2.gz LYZFQVAKZPIEOW-YUMQZZPRSA-N 1 1 383.752 3.094 20 30 GGEDMO C[N@H+]1CCO[C@@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)C[C@H]21 ZINC001164667225 719397569 /nfs/dbraw/zinc/39/75/69/719397569.db2.gz NGUIPZXWTBBMTA-QZTJIDSGSA-N 1 1 376.485 3.354 20 30 GGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cnc2C#N)CC3)cs1 ZINC001164691792 719805936 /nfs/dbraw/zinc/80/59/36/719805936.db2.gz KFIFUHBMXURYTR-UHFFFAOYSA-N 1 1 388.928 3.402 20 30 GGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C#N)cc2C#N)CC3)cs1 ZINC001164694357 719806744 /nfs/dbraw/zinc/80/67/44/719806744.db2.gz WBNMGJZZPQHINX-UHFFFAOYSA-N 1 1 378.505 3.225 20 30 GGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])cc2C#N)CC3)cs1 ZINC001164694069 719807461 /nfs/dbraw/zinc/80/74/61/719807461.db2.gz UMKFGRHRXCCJCI-UHFFFAOYSA-N 1 1 398.492 3.261 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cl)c(C)c1C#N)C2 ZINC001164806387 720075808 /nfs/dbraw/zinc/07/58/08/720075808.db2.gz BUIGTZXUMIKYIS-UTKZUKDTSA-N 1 1 388.943 3.408 20 30 GGEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C#N)CC2 ZINC001164709570 720099743 /nfs/dbraw/zinc/09/97/43/720099743.db2.gz AXVCMPJPTXUHMB-NRFANRHFSA-N 1 1 391.519 3.164 20 30 GGEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c(C#N)cn1)CC2 ZINC001164715533 720112537 /nfs/dbraw/zinc/11/25/37/720112537.db2.gz HLWNCSBXXVEMSN-OAQYLSRUSA-N 1 1 391.519 3.164 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C3(C#N)CCC3)cn1)C2 ZINC001164813770 720114810 /nfs/dbraw/zinc/11/48/10/720114810.db2.gz QLBKNGXNAQUYCU-NZQKXSOJSA-N 1 1 380.536 3.212 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C#N)c3ccccc3n1)C2 ZINC001164814423 720167176 /nfs/dbraw/zinc/16/71/76/720167176.db2.gz GJQGOYTXYOSVHZ-CVDCTZTESA-N 1 1 376.504 3.291 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C#C[Si](C)(C)C)ccn1)C2 ZINC001164813321 720197173 /nfs/dbraw/zinc/19/71/73/720197173.db2.gz OIQRVJKWMASVCG-JTHBVZDNSA-N 1 1 397.639 3.495 20 30 GGEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724866 720341697 /nfs/dbraw/zinc/34/16/97/720341697.db2.gz LAYIJVQSFBYVFT-DLBZAZTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724866 720341703 /nfs/dbraw/zinc/34/17/03/720341703.db2.gz LAYIJVQSFBYVFT-DLBZAZTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726359 720429228 /nfs/dbraw/zinc/42/92/28/720429228.db2.gz BVLKHXLFWJJEMQ-FCHUYYIVSA-N 1 1 382.471 3.263 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(C#N)cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833375 720513360 /nfs/dbraw/zinc/51/33/60/720513360.db2.gz DLCPJXCNSRARRR-JENIJYKNSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)ncc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836093 720513738 /nfs/dbraw/zinc/51/37/38/720513738.db2.gz MHYLZAKYSXOUMW-RYQLBKOJSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)ncc3C#N)CC[C@@H]21 ZINC001164836092 720514363 /nfs/dbraw/zinc/51/43/63/720514363.db2.gz MHYLZAKYSXOUMW-NJAFHUGGSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(Cl)c3C#N)CC[C@@H]21 ZINC001164839097 720522316 /nfs/dbraw/zinc/52/23/16/720522316.db2.gz SSGHYSPEZNAPIN-GJYPPUQNSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)cc(C#N)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835814 720531742 /nfs/dbraw/zinc/53/17/42/720531742.db2.gz HWOOIDQJRAKATK-ZYSHUDEJSA-N 1 1 384.915 3.181 20 30 GGEDMO Cc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164836762 720532103 /nfs/dbraw/zinc/53/21/03/720532103.db2.gz KVGPIXYJNMWJGM-QHAWAJNXSA-N 1 1 378.524 3.144 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(Cl)cc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835940 720581578 /nfs/dbraw/zinc/58/15/78/720581578.db2.gz CXTSASFMHOQLGO-NZSAHSFTSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4c(cc3C#N)CCC4)CC[C@@H]21 ZINC001164841562 720604456 /nfs/dbraw/zinc/60/44/56/720604456.db2.gz TWJJHATZLWNVBQ-URVUXULASA-N 1 1 390.535 3.016 20 30 GGEDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)cc1C#N ZINC001164840267 720642002 /nfs/dbraw/zinc/64/20/02/720642002.db2.gz PQPAYVWRBKTTAS-WSTZPKSXSA-N 1 1 398.942 3.489 20 30 GGEDMO COc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1C#N ZINC001164837543 720660391 /nfs/dbraw/zinc/66/03/91/720660391.db2.gz CVBRNCZRZKBNAZ-FQEVSTJZSA-N 1 1 392.503 3.222 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C#N)cc1F)CC2 ZINC001164838216 720703496 /nfs/dbraw/zinc/70/34/96/720703496.db2.gz HPOVMSMRKSFZJD-IBGZPJMESA-N 1 1 380.467 3.352 20 30 GGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3ccc(C#N)cc31)[C@@H]2C ZINC001164857620 720935916 /nfs/dbraw/zinc/93/59/16/720935916.db2.gz GQGQNGHIGALCEN-OAHLLOKOSA-N 1 1 375.480 3.119 20 30 GGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)CCCC3)[C@@H]2C ZINC001164863590 721000887 /nfs/dbraw/zinc/00/08/87/721000887.db2.gz WZHMQHKUJGZBAD-MRXNPFEDSA-N 1 1 378.524 3.450 20 30 GGEDMO CCCc1cc(C#N)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1Cl ZINC001164762828 721151602 /nfs/dbraw/zinc/15/16/02/721151602.db2.gz DUYOCSATNWNBKU-HKUYNNGSSA-N 1 1 398.942 3.251 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@@H]3C2)cn1 ZINC001164771325 721163954 /nfs/dbraw/zinc/16/39/54/721163954.db2.gz SAGJAWAHMVSKFX-SFTDATJTSA-N 1 1 393.611 3.002 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@@H]3C2)cn1 ZINC001164771324 721165175 /nfs/dbraw/zinc/16/51/75/721165175.db2.gz SAGJAWAHMVSKFX-RTWAWAEBSA-N 1 1 393.611 3.002 20 30 GGEDMO N#C[C@H](c1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nn1)c1ccccc1F ZINC001164771308 721292768 /nfs/dbraw/zinc/29/27/68/721292768.db2.gz ZQQHEEQBWNMFNA-SFHVURJKSA-N 1 1 377.467 3.193 20 30 GGEDMO N#Cc1nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164780848 721434081 /nfs/dbraw/zinc/43/40/81/721434081.db2.gz AOBUTPBTSCKKDR-PHIMTYICSA-N 1 1 380.304 3.285 20 30 GGEDMO N#Cc1nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164780848 721434083 /nfs/dbraw/zinc/43/40/83/721434083.db2.gz AOBUTPBTSCKKDR-PHIMTYICSA-N 1 1 380.304 3.285 20 30 GGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164792862 721491978 /nfs/dbraw/zinc/49/19/78/721491978.db2.gz NGDCKHMQFCJJQC-UHFFFAOYSA-N 1 1 382.899 3.278 20 30 GGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2 ZINC001164792954 721493820 /nfs/dbraw/zinc/49/38/20/721493820.db2.gz WCUPFFFOYHHXNG-UHFFFAOYSA-N 1 1 392.463 3.137 20 30 GGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(C#N)ccc1[N+](=O)[O-])CC2 ZINC001164792299 721495487 /nfs/dbraw/zinc/49/54/87/721495487.db2.gz NPGMYYRXOYOKDL-UHFFFAOYSA-N 1 1 392.463 3.137 20 30 GGEDMO Cc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(C=NO)c1 ZINC001164796710 721498831 /nfs/dbraw/zinc/49/88/31/721498831.db2.gz WBKQPFPJMCINBD-UHFFFAOYSA-N 1 1 379.508 3.474 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900309 721513347 /nfs/dbraw/zinc/51/33/47/721513347.db2.gz QALVKJVFLNHBIY-NVXWUHKLSA-N 1 1 386.858 3.396 20 30 GGEDMO Cc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C#N ZINC001164803711 721530242 /nfs/dbraw/zinc/53/02/42/721530242.db2.gz IVPCSCOZNJVVQT-WSTZPKSXSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1C#N ZINC001164803711 721530248 /nfs/dbraw/zinc/53/02/48/721530248.db2.gz IVPCSCOZNJVVQT-WSTZPKSXSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C#N ZINC001164803705 721530363 /nfs/dbraw/zinc/53/03/63/721530363.db2.gz IVPCSCOZNJVVQT-BJLQDIEVSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1C#N ZINC001164803705 721530365 /nfs/dbraw/zinc/53/03/65/721530365.db2.gz IVPCSCOZNJVVQT-BJLQDIEVSA-N 1 1 397.910 3.178 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164808857 721576764 /nfs/dbraw/zinc/57/67/64/721576764.db2.gz WAZDUQQFZYVQAZ-CQOQZXRMSA-N 1 1 399.498 3.370 20 30 GGEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(CC#N)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164811409 721586575 /nfs/dbraw/zinc/58/65/75/721586575.db2.gz XMUWBXHNEJZKME-ZCNNSNEGSA-N 1 1 397.910 3.064 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(CC#N)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164811409 721586577 /nfs/dbraw/zinc/58/65/77/721586577.db2.gz XMUWBXHNEJZKME-ZCNNSNEGSA-N 1 1 397.910 3.064 20 30 GGEDMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)cc1C#N ZINC001164807609 721590457 /nfs/dbraw/zinc/59/04/57/721590457.db2.gz OYYABTYVXMPSEN-HSALFYBXSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)cc1C#N ZINC001164807609 721590459 /nfs/dbraw/zinc/59/04/59/721590459.db2.gz OYYABTYVXMPSEN-HSALFYBXSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1C#N ZINC001164905476 721699140 /nfs/dbraw/zinc/69/91/40/721699140.db2.gz JNMZHPUQYKMLSS-FQEVSTJZSA-N 1 1 383.446 3.394 20 30 GGEDMO Cc1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C#N ZINC001164907499 721701968 /nfs/dbraw/zinc/70/19/68/721701968.db2.gz UURJFZUTRRIFBO-FQEVSTJZSA-N 1 1 383.446 3.394 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3[nH]cc(C#N)c31)C2 ZINC001164908832 721744736 /nfs/dbraw/zinc/74/47/36/721744736.db2.gz LJEPDRYMAZFYES-UHFFFAOYSA-N 1 1 399.458 3.012 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3[nH]cc(C#N)c31)C2 ZINC001164908832 721744740 /nfs/dbraw/zinc/74/47/40/721744740.db2.gz LJEPDRYMAZFYES-UHFFFAOYSA-N 1 1 399.458 3.012 20 30 GGEDMO COc1ccnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C#N ZINC001164910007 721752349 /nfs/dbraw/zinc/75/23/49/721752349.db2.gz XOBUSPYGTSMVIS-UHFFFAOYSA-N 1 1 389.459 3.145 20 30 GGEDMO COc1ccnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C#N ZINC001164910007 721752355 /nfs/dbraw/zinc/75/23/55/721752355.db2.gz XOBUSPYGTSMVIS-UHFFFAOYSA-N 1 1 389.459 3.145 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(F)c1C#N)C2 ZINC001164911427 721757607 /nfs/dbraw/zinc/75/76/07/721757607.db2.gz VSITWWWUMNZIQZ-UHFFFAOYSA-N 1 1 377.423 3.275 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(F)c1C#N)C2 ZINC001164911427 721757608 /nfs/dbraw/zinc/75/76/08/721757608.db2.gz VSITWWWUMNZIQZ-UHFFFAOYSA-N 1 1 377.423 3.275 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3C#N)C[C@H]21 ZINC001165025495 721805349 /nfs/dbraw/zinc/80/53/49/721805349.db2.gz OQQALVAIDCERAF-BMGDILEWSA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3C#N)C[C@H]21 ZINC001165025501 721805354 /nfs/dbraw/zinc/80/53/54/721805354.db2.gz OQQALVAIDCERAF-ZTFGCOKTSA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc(Cl)c3C#N)C[C@@H]21 ZINC001165024016 721805433 /nfs/dbraw/zinc/80/54/33/721805433.db2.gz KRHSWEOJXSJYPF-FHLIZLRMSA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cnc3C#N)C[C@H]21 ZINC001165027722 721805453 /nfs/dbraw/zinc/80/54/53/721805453.db2.gz XMMNCHNVWOZAQB-YXJHDRRASA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)cc3C#N)C[C@H]21 ZINC001165024663 721806272 /nfs/dbraw/zinc/80/62/72/721806272.db2.gz MQYHUVFQOYXWLR-BMGDILEWSA-N 1 1 382.899 3.134 20 30 GGEDMO COc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165018697 721808439 /nfs/dbraw/zinc/80/84/39/721808439.db2.gz BYBIBTSOSACUMA-VDGAXYAQSA-N 1 1 377.492 3.094 20 30 GGEDMO C=CCOc1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025162 721813317 /nfs/dbraw/zinc/81/33/17/721813317.db2.gz LNDQTYYOVOCKPZ-TYPHKJRUSA-N 1 1 393.535 3.482 20 30 GGEDMO Cc1ccc2nc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)c(C#N)c(Cl)c2c1 ZINC001164930611 721890939 /nfs/dbraw/zinc/89/09/39/721890939.db2.gz CDRRFVREVDMMBP-RTBURBONSA-N 1 1 383.927 3.283 20 30 GGEDMO Cc1ccc2nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c(C#N)c(Cl)c2c1 ZINC001164930611 721890941 /nfs/dbraw/zinc/89/09/41/721890941.db2.gz CDRRFVREVDMMBP-RTBURBONSA-N 1 1 383.927 3.283 20 30 GGEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nn2)cc1 ZINC001165054260 722009167 /nfs/dbraw/zinc/00/91/67/722009167.db2.gz UYQLTKJHHNIIAM-QFIPXVFZSA-N 1 1 398.514 3.200 20 30 GGEDMO N#Cc1ccc2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164952957 722014742 /nfs/dbraw/zinc/01/47/42/722014742.db2.gz PPNXZYPYKQSVOA-UHFFFAOYSA-N 1 1 384.487 3.389 20 30 GGEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056049 722017646 /nfs/dbraw/zinc/01/76/46/722017646.db2.gz UZASEKWXLIFRLO-UHFFFAOYSA-N 1 1 375.501 3.441 20 30 GGEDMO Cc1cc(C#N)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1C ZINC001164963802 722054808 /nfs/dbraw/zinc/05/48/08/722054808.db2.gz LMINRTHPYFPAID-UHFFFAOYSA-N 1 1 391.519 3.084 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983908 722103515 /nfs/dbraw/zinc/10/35/15/722103515.db2.gz QYJWZCKFVCBVLP-IFMALSPDSA-N 1 1 391.519 3.199 20 30 GGEDMO N#Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccccc12 ZINC001164984994 722139409 /nfs/dbraw/zinc/13/94/09/722139409.db2.gz YRYKVFBCNKSDLT-XXBNENTESA-N 1 1 399.498 3.229 20 30 GGEDMO N#Cc1cc2c(nc1N1CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C1)CCOC2 ZINC001164996175 722211286 /nfs/dbraw/zinc/21/12/86/722211286.db2.gz MPVTUEMMMSOKLH-HSZRJFAPSA-N 1 1 392.478 3.410 20 30 GGEDMO N#Cc1cc2c(nc1N1CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C1)CCOC2 ZINC001164996176 722211420 /nfs/dbraw/zinc/21/14/20/722211420.db2.gz MPVTUEMMMSOKLH-QHCPKHFHSA-N 1 1 392.478 3.410 20 30 GGEDMO CCc1nc(C#N)c(C#N)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995005 722212039 /nfs/dbraw/zinc/21/20/39/722212039.db2.gz FGBXAMPKJJDYTD-JOCHJYFZSA-N 1 1 390.466 3.166 20 30 GGEDMO C=CC[N@H+](Cc1c(C)[nH]c(C(=O)OCC)c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573341111 947526572 /nfs/dbraw/zinc/52/65/72/947526572.db2.gz HLZLMVSLBVZWKU-UHFFFAOYSA-N 1 1 394.479 3.177 20 30 GGEDMO C#CC[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000089261527 206296642 /nfs/dbraw/zinc/29/66/42/206296642.db2.gz JODJKHZCAUQZST-JOCHJYFZSA-N 1 1 377.488 3.447 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000014249807 207017367 /nfs/dbraw/zinc/01/73/67/207017367.db2.gz NZAUUYNVUCHKIU-ZDUSSCGKSA-N 1 1 385.851 3.442 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000014249807 207017371 /nfs/dbraw/zinc/01/73/71/207017371.db2.gz NZAUUYNVUCHKIU-ZDUSSCGKSA-N 1 1 385.851 3.442 20 30 GGEDMO C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000022933336 207264289 /nfs/dbraw/zinc/26/42/89/207264289.db2.gz HSCOYHOUCMIREN-SFHVURJKSA-N 1 1 388.515 3.010 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022789403 207261869 /nfs/dbraw/zinc/26/18/69/207261869.db2.gz DUKCLBYOVGFOJD-UHFFFAOYSA-N 1 1 394.953 3.481 20 30 GGEDMO C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000022933333 207265898 /nfs/dbraw/zinc/26/58/98/207265898.db2.gz HSCOYHOUCMIREN-GOSISDBHSA-N 1 1 388.515 3.010 20 30 GGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000026340978 207313022 /nfs/dbraw/zinc/31/30/22/207313022.db2.gz YMUURMNRPICOQK-SFHVURJKSA-N 1 1 376.460 3.238 20 30 GGEDMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026329677 207313059 /nfs/dbraw/zinc/31/30/59/207313059.db2.gz WSLIMTVMTQWQNO-KRWDZBQOSA-N 1 1 392.503 3.038 20 30 GGEDMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026329677 207313064 /nfs/dbraw/zinc/31/30/64/207313064.db2.gz WSLIMTVMTQWQNO-KRWDZBQOSA-N 1 1 392.503 3.038 20 30 GGEDMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)Nc1ccc(C#N)cc1 ZINC000008153643 564246496 /nfs/dbraw/zinc/24/64/96/564246496.db2.gz GHHWZBBYKJDQIR-UHFFFAOYSA-N 1 1 388.265 3.270 20 30 GGEDMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)Nc1ccc(C#N)cc1 ZINC000008153643 564246499 /nfs/dbraw/zinc/24/64/99/564246499.db2.gz GHHWZBBYKJDQIR-UHFFFAOYSA-N 1 1 388.265 3.270 20 30 GGEDMO C[N@H+](Cc1ccc(Br)s1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025230293 564337000 /nfs/dbraw/zinc/33/70/00/564337000.db2.gz IAUTVDLTACFCLX-AWEZNQCLSA-N 1 1 395.322 3.448 20 30 GGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(Br)cc1 ZINC000026328333 564345354 /nfs/dbraw/zinc/34/53/54/564345354.db2.gz SRGPSQVQDNAAGS-KRWDZBQOSA-N 1 1 375.266 3.192 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1)C1CC1 ZINC000026446505 564346461 /nfs/dbraw/zinc/34/64/61/564346461.db2.gz DIJBLDBFWSEIDK-GOSISDBHSA-N 1 1 376.298 3.222 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1)C1CC1 ZINC000026446505 564346462 /nfs/dbraw/zinc/34/64/62/564346462.db2.gz DIJBLDBFWSEIDK-GOSISDBHSA-N 1 1 376.298 3.222 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000122308053 564408528 /nfs/dbraw/zinc/40/85/28/564408528.db2.gz UBBISLOJEBAKKF-MRXNPFEDSA-N 1 1 385.961 3.456 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1Cl ZINC000123644966 564456641 /nfs/dbraw/zinc/45/66/41/564456641.db2.gz GLHJRRCIFFNEQP-CVEARBPZSA-N 1 1 379.913 3.137 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1Cl ZINC000123644966 564456644 /nfs/dbraw/zinc/45/66/44/564456644.db2.gz GLHJRRCIFFNEQP-CVEARBPZSA-N 1 1 379.913 3.137 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccncc3Br)CC2)cc1 ZINC000125278830 564509030 /nfs/dbraw/zinc/50/90/30/564509030.db2.gz PKEFTNGKDLTEEV-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccncc3Br)CC2)cc1 ZINC000125278830 564509034 /nfs/dbraw/zinc/50/90/34/564509034.db2.gz PKEFTNGKDLTEEV-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO COc1ccc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)cc1C#N ZINC000125564913 564518966 /nfs/dbraw/zinc/51/89/66/564518966.db2.gz NQODPCGWIOSGAB-QGZVFWFLSA-N 1 1 375.266 3.495 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccnc3Br)CC2)cc1 ZINC000125775061 564527203 /nfs/dbraw/zinc/52/72/03/564527203.db2.gz LKZAIVDZBVMIOR-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccnc3Br)CC2)cc1 ZINC000125775061 564527210 /nfs/dbraw/zinc/52/72/10/564527210.db2.gz LKZAIVDZBVMIOR-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO C[N@H+]1CCN(CCCNc2snc(Cl)c2C#N)[C@H](c2ccccc2)C1 ZINC000051914704 564567050 /nfs/dbraw/zinc/56/70/50/564567050.db2.gz ZGFDSPYAUDHXFH-INIZCTEOSA-N 1 1 375.929 3.459 20 30 GGEDMO C=CC[N@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1cccs1 ZINC000053781697 564594636 /nfs/dbraw/zinc/59/46/36/564594636.db2.gz HXENLFHFFLIRGX-UHFFFAOYSA-N 1 1 380.535 3.065 20 30 GGEDMO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)[nH]1 ZINC000130108439 564669933 /nfs/dbraw/zinc/66/99/33/564669933.db2.gz AOHGRSQLDIKGPG-UHFFFAOYSA-N 1 1 387.281 3.043 20 30 GGEDMO C[N@H+](Cc1csc(Br)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000065513851 564744021 /nfs/dbraw/zinc/74/40/21/564744021.db2.gz NALDGSPHTXWPIT-HNNXBMFYSA-N 1 1 395.322 3.448 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831409 564827224 /nfs/dbraw/zinc/82/72/24/564827224.db2.gz WLNDEESKYNHWTE-AWEZNQCLSA-N 1 1 386.323 3.186 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831409 564827228 /nfs/dbraw/zinc/82/72/28/564827228.db2.gz WLNDEESKYNHWTE-AWEZNQCLSA-N 1 1 386.323 3.186 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831442 564827609 /nfs/dbraw/zinc/82/76/09/564827609.db2.gz IMIRMDYVQFJIGH-GOSISDBHSA-N 1 1 386.323 3.232 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831442 564827612 /nfs/dbraw/zinc/82/76/12/564827612.db2.gz IMIRMDYVQFJIGH-GOSISDBHSA-N 1 1 386.323 3.232 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Br)n3)CC2)cc1 ZINC000136204943 564846986 /nfs/dbraw/zinc/84/69/86/564846986.db2.gz NTCVHHZVUMRBEZ-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Br)n3)CC2)cc1 ZINC000136204943 564846988 /nfs/dbraw/zinc/84/69/88/564846988.db2.gz NTCVHHZVUMRBEZ-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@](C)(C(=O)OC)C2)cc1OC ZINC000093813784 564890565 /nfs/dbraw/zinc/89/05/65/564890565.db2.gz VERMTSLIXNGFPY-GOSISDBHSA-N 1 1 398.297 3.408 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)cc1OC ZINC000093813784 564890567 /nfs/dbraw/zinc/89/05/67/564890567.db2.gz VERMTSLIXNGFPY-GOSISDBHSA-N 1 1 398.297 3.408 20 30 GGEDMO Cn1cc(Br)cc1C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000151467913 564921546 /nfs/dbraw/zinc/92/15/46/564921546.db2.gz ASISKTDIDXCDIE-UHFFFAOYSA-N 1 1 375.270 3.120 20 30 GGEDMO CCN(CCC#N)C(=O)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152607927 564964837 /nfs/dbraw/zinc/96/48/37/564964837.db2.gz BUEBHRGSVZTTDQ-UHFFFAOYSA-N 1 1 378.314 3.175 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152612645 564965516 /nfs/dbraw/zinc/96/55/16/564965516.db2.gz WZEMPQANLDDYHJ-SFHVURJKSA-N 1 1 392.341 3.467 20 30 GGEDMO C=C(Br)C[N@@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000107372728 564999165 /nfs/dbraw/zinc/99/91/65/564999165.db2.gz DTVRUCOBMXUCGA-MRXNPFEDSA-N 1 1 385.302 3.004 20 30 GGEDMO C=C(Br)C[N@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC000107372728 564999166 /nfs/dbraw/zinc/99/91/66/564999166.db2.gz DTVRUCOBMXUCGA-MRXNPFEDSA-N 1 1 385.302 3.004 20 30 GGEDMO C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000108170797 565007905 /nfs/dbraw/zinc/00/79/05/565007905.db2.gz IZHVQDXDZNAVHS-MRXNPFEDSA-N 1 1 393.256 3.332 20 30 GGEDMO C[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000108170797 565007907 /nfs/dbraw/zinc/00/79/07/565007907.db2.gz IZHVQDXDZNAVHS-MRXNPFEDSA-N 1 1 393.256 3.332 20 30 GGEDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1C#N ZINC000154123006 565026936 /nfs/dbraw/zinc/02/69/36/565026936.db2.gz CUJHLBZHWNQMGB-QGZVFWFLSA-N 1 1 375.266 3.192 20 30 GGEDMO C[N@@H+](CCc1ccc(Br)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000112563180 565064407 /nfs/dbraw/zinc/06/44/07/565064407.db2.gz YFKNPDOZKRZGTQ-SFHVURJKSA-N 1 1 389.293 3.235 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000369595675 565101951 /nfs/dbraw/zinc/10/19/51/565101951.db2.gz FAWUPNFJBFFHAP-LJQANCHMSA-N 1 1 382.261 3.417 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000184220668 565119814 /nfs/dbraw/zinc/11/98/14/565119814.db2.gz SORNHIABQNSQAF-OAHLLOKOSA-N 1 1 381.885 3.166 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185642940 565213710 /nfs/dbraw/zinc/21/37/10/565213710.db2.gz NTNUDRKMCJTIKA-INIZCTEOSA-N 1 1 382.277 3.487 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185642924 565213825 /nfs/dbraw/zinc/21/38/25/565213825.db2.gz NTNUDRKMCJTIKA-MRXNPFEDSA-N 1 1 382.277 3.487 20 30 GGEDMO C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185726946 565218411 /nfs/dbraw/zinc/21/84/11/565218411.db2.gz MYJVOHUJNSYRDS-DZGCQCFKSA-N 1 1 381.929 3.143 20 30 GGEDMO C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185727000 565218973 /nfs/dbraw/zinc/21/89/73/565218973.db2.gz MYJVOHUJNSYRDS-HIFRSBDPSA-N 1 1 381.929 3.143 20 30 GGEDMO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)s3)CC2)cs1 ZINC000271280433 565246180 /nfs/dbraw/zinc/24/61/80/565246180.db2.gz PFRPDUGZLDETIO-AWEZNQCLSA-N 1 1 376.551 3.492 20 30 GGEDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)cs1 ZINC000271280433 565246184 /nfs/dbraw/zinc/24/61/84/565246184.db2.gz PFRPDUGZLDETIO-AWEZNQCLSA-N 1 1 376.551 3.492 20 30 GGEDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186392138 565259227 /nfs/dbraw/zinc/25/92/27/565259227.db2.gz GLAROSREVFZXOE-UHFFFAOYSA-N 1 1 377.897 3.142 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCSC3(CCOCC3)C2)cc1Cl ZINC000186850772 565290321 /nfs/dbraw/zinc/29/03/21/565290321.db2.gz IHQCIPRKBFCPCR-UHFFFAOYSA-N 1 1 379.913 3.138 20 30 GGEDMO CC(C)[NH+]1CCN(C2CCN(c3ccc(Br)cc3C#N)CC2)CC1 ZINC000272802766 565297814 /nfs/dbraw/zinc/29/78/14/565297814.db2.gz DZJHNVOEYRHTJY-UHFFFAOYSA-N 1 1 391.357 3.316 20 30 GGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000298463002 565415376 /nfs/dbraw/zinc/41/53/76/565415376.db2.gz RSAYIPGWQKXXAT-QZTJIDSGSA-N 1 1 375.266 3.020 20 30 GGEDMO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cn1 ZINC000298595025 565421875 /nfs/dbraw/zinc/42/18/75/565421875.db2.gz RZNQJHYLANXTSN-SJCJKPOMSA-N 1 1 385.265 3.172 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Br)cn3)CC2)cc1 ZINC000171358451 565428072 /nfs/dbraw/zinc/42/80/72/565428072.db2.gz PXVIVEXJPNYERO-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Br)cn3)CC2)cc1 ZINC000171358451 565428082 /nfs/dbraw/zinc/42/80/82/565428082.db2.gz PXVIVEXJPNYERO-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277628695 565511346 /nfs/dbraw/zinc/51/13/46/565511346.db2.gz BBJJYKPKBUWRGD-SMDDNHRTSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277628695 565511348 /nfs/dbraw/zinc/51/13/48/565511348.db2.gz BBJJYKPKBUWRGD-SMDDNHRTSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1cc(Br)ccc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000302058266 565528372 /nfs/dbraw/zinc/52/83/72/565528372.db2.gz BMFYMXOVRVFBJN-SFHVURJKSA-N 1 1 386.293 3.499 20 30 GGEDMO C[N@@H+](CCCNS(=O)(=O)c1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC000384531374 565545099 /nfs/dbraw/zinc/54/50/99/565545099.db2.gz JNMCEPPDHUYFER-UHFFFAOYSA-N 1 1 377.897 3.012 20 30 GGEDMO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000390750171 565557564 /nfs/dbraw/zinc/55/75/64/565557564.db2.gz COANLTFDKZPGNR-AWEZNQCLSA-N 1 1 377.897 3.010 20 30 GGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348399 565597952 /nfs/dbraw/zinc/59/79/52/565597952.db2.gz AHRQABYMZGVSCK-OAHLLOKOSA-N 1 1 386.330 3.358 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000408311023 565602611 /nfs/dbraw/zinc/60/26/11/565602611.db2.gz VZSZGFJJMIPDIU-LZWOXQAQSA-N 1 1 381.929 3.238 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408430386 565609854 /nfs/dbraw/zinc/60/98/54/565609854.db2.gz STTQIIPJMQRIDF-ZNMIVQPWSA-N 1 1 381.929 3.238 20 30 GGEDMO CC(C)[C@H](CNc1cc(Br)c(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000323454092 565613570 /nfs/dbraw/zinc/61/35/70/565613570.db2.gz BIAWPWZBBXLTGJ-KRWDZBQOSA-N 1 1 383.309 3.144 20 30 GGEDMO CC(C)[C@@H](CNc1cc(Br)c(C#N)cc1F)N1CC[NH+](C)CC1 ZINC000323454094 565613859 /nfs/dbraw/zinc/61/38/59/565613859.db2.gz BIAWPWZBBXLTGJ-QGZVFWFLSA-N 1 1 383.309 3.144 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000191776259 565630471 /nfs/dbraw/zinc/63/04/71/565630471.db2.gz RJRHHULNWZMMPP-HNNXBMFYSA-N 1 1 376.298 3.059 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000191776279 565630494 /nfs/dbraw/zinc/63/04/94/565630494.db2.gz RJRHHULNWZMMPP-OAHLLOKOSA-N 1 1 376.298 3.059 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000191778085 565630623 /nfs/dbraw/zinc/63/06/23/565630623.db2.gz ZGXOWLJZVRVVOQ-UHFFFAOYSA-N 1 1 377.311 3.490 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000191778085 565630626 /nfs/dbraw/zinc/63/06/26/565630626.db2.gz ZGXOWLJZVRVVOQ-UHFFFAOYSA-N 1 1 377.311 3.490 20 30 GGEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)COCc1ccccc1 ZINC000191790088 565632002 /nfs/dbraw/zinc/63/20/02/565632002.db2.gz ATUMMFVNWXZZCC-GOSISDBHSA-N 1 1 389.293 3.330 20 30 GGEDMO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H](O)COCc1ccccc1 ZINC000191790088 565632008 /nfs/dbraw/zinc/63/20/08/565632008.db2.gz ATUMMFVNWXZZCC-GOSISDBHSA-N 1 1 389.293 3.330 20 30 GGEDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(C#N)ccc1Br)CC2 ZINC000191794354 565633131 /nfs/dbraw/zinc/63/31/31/565633131.db2.gz IKFQIESVCVDBCI-IAGOWNOFSA-N 1 1 379.298 3.073 20 30 GGEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000191806540 565634665 /nfs/dbraw/zinc/63/46/65/565634665.db2.gz XGAZWQDZAOUXLH-KRWDZBQOSA-N 1 1 379.298 3.481 20 30 GGEDMO Cn1c(SCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)nnc1-c1cccs1 ZINC000328747331 565641033 /nfs/dbraw/zinc/64/10/33/565641033.db2.gz LRHYCAHNDVFEDQ-CHWSQXEVSA-N 1 1 377.539 3.219 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328851762 565644239 /nfs/dbraw/zinc/64/42/39/565644239.db2.gz WUZFTSUXMYZIEY-BQGCOEIASA-N 1 1 397.313 3.287 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328851762 565644244 /nfs/dbraw/zinc/64/42/44/565644244.db2.gz WUZFTSUXMYZIEY-BQGCOEIASA-N 1 1 397.313 3.287 20 30 GGEDMO N#CCC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)CC1CC1 ZINC000174698944 565652109 /nfs/dbraw/zinc/65/21/09/565652109.db2.gz SAMHVHJKTUSKNP-CQSZACIVSA-N 1 1 387.705 3.468 20 30 GGEDMO N#CCC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)CC1CC1 ZINC000174698944 565652113 /nfs/dbraw/zinc/65/21/13/565652113.db2.gz SAMHVHJKTUSKNP-CQSZACIVSA-N 1 1 387.705 3.468 20 30 GGEDMO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)cc1OC ZINC000280105697 565652947 /nfs/dbraw/zinc/65/29/47/565652947.db2.gz AZPRGNSUODVNSX-UHFFFAOYSA-N 1 1 381.519 3.405 20 30 GGEDMO O=C(NC1CC1)N[C@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000329437445 565666529 /nfs/dbraw/zinc/66/65/29/565666529.db2.gz AFNQZZCSGVJWNM-ZDUSSCGKSA-N 1 1 375.270 3.242 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000192207479 565670390 /nfs/dbraw/zinc/67/03/90/565670390.db2.gz YKOYTWQADFQORE-UHFFFAOYSA-N 1 1 393.734 3.031 20 30 GGEDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000329633980 565673811 /nfs/dbraw/zinc/67/38/11/565673811.db2.gz STTFXVZBWBOEAR-ZDUSSCGKSA-N 1 1 396.329 3.120 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C[N@H+]1C1CC1 ZINC000329731563 565678357 /nfs/dbraw/zinc/67/83/57/565678357.db2.gz IHEPPDDYFKQNQB-ABAIWWIYSA-N 1 1 394.313 3.013 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ncccc3Br)CC2)cc1 ZINC000192454814 565692523 /nfs/dbraw/zinc/69/25/23/565692523.db2.gz SNVQNNNFSHBNAP-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ncccc3Br)CC2)cc1 ZINC000192454814 565692531 /nfs/dbraw/zinc/69/25/31/565692531.db2.gz SNVQNNNFSHBNAP-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@H]1CCC[N@H+]1C1CC1 ZINC000330203600 565696922 /nfs/dbraw/zinc/69/69/22/565696922.db2.gz AYGLWGMVLUNGJA-CQSZACIVSA-N 1 1 381.270 3.304 20 30 GGEDMO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000330201004 565697426 /nfs/dbraw/zinc/69/74/26/565697426.db2.gz XDXPAZUTRSSZRA-NSHDSACASA-N 1 1 393.260 3.072 20 30 GGEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000175406424 565697627 /nfs/dbraw/zinc/69/76/27/565697627.db2.gz AHNKLZCKMHFMGT-ZJWNCGCPSA-N 1 1 375.519 3.379 20 30 GGEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000175406400 565697738 /nfs/dbraw/zinc/69/77/38/565697738.db2.gz AHNKLZCKMHFMGT-SHZVTRLKSA-N 1 1 375.519 3.379 20 30 GGEDMO COc1cc(OC)c(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000330264677 565699542 /nfs/dbraw/zinc/69/95/42/565699542.db2.gz YFHHUHZPVXMCSL-OCCSQVGLSA-N 1 1 398.301 3.419 20 30 GGEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000330256755 565699840 /nfs/dbraw/zinc/69/98/40/565699840.db2.gz KXERKIWTLGJXJR-OCCSQVGLSA-N 1 1 385.961 3.470 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)[C@H](C)C1 ZINC000330555474 565711901 /nfs/dbraw/zinc/71/19/01/565711901.db2.gz GXDLQLBRHFUBAD-GHMZBOCLSA-N 1 1 390.709 3.035 20 30 GGEDMO Cc1nc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000330648978 565717243 /nfs/dbraw/zinc/71/72/43/565717243.db2.gz OAEPZWRIUNCUPE-AOOOYVTPSA-N 1 1 376.320 3.018 20 30 GGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H]1C ZINC000330957540 565732800 /nfs/dbraw/zinc/73/28/00/565732800.db2.gz CSAUATQLRCOYDP-JSGCOSHPSA-N 1 1 387.933 3.094 20 30 GGEDMO COC(=O)c1c(Br)ccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1C ZINC000331098813 565739052 /nfs/dbraw/zinc/73/90/52/565739052.db2.gz DWNWVCHPAAXRHI-NWDGAFQWSA-N 1 1 398.301 3.114 20 30 GGEDMO C=CC[N@H+](C)CCN(CC)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000411637678 565740956 /nfs/dbraw/zinc/74/09/56/565740956.db2.gz GDOQAYVJRREXSP-UHFFFAOYSA-N 1 1 393.329 3.363 20 30 GGEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000331162137 565743246 /nfs/dbraw/zinc/74/32/46/565743246.db2.gz LJHPRIGMQDIHKR-SNVBAGLBSA-N 1 1 378.275 3.455 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)[C@H](C)C1 ZINC000331183493 565744582 /nfs/dbraw/zinc/74/45/82/565744582.db2.gz NPOJHYULXIHKTH-GHMZBOCLSA-N 1 1 390.709 3.035 20 30 GGEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)s1 ZINC000176945759 565817359 /nfs/dbraw/zinc/81/73/59/565817359.db2.gz PIWZAQGZSJCAHP-UHFFFAOYSA-N 1 1 375.519 3.084 20 30 GGEDMO C[C@H]1C[C@@]1(C#N)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412972588 565826180 /nfs/dbraw/zinc/82/61/80/565826180.db2.gz XNHCIHVADHBUSW-UGSOOPFHSA-N 1 1 376.298 3.079 20 30 GGEDMO C[C@H](C#N)CN(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413869168 565878325 /nfs/dbraw/zinc/87/83/25/565878325.db2.gz AGEUIOKHMKBWEM-CQSZACIVSA-N 1 1 393.329 3.215 20 30 GGEDMO CC#CCN(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413888211 565879231 /nfs/dbraw/zinc/87/92/31/565879231.db2.gz XYHVYIFNNOFVIB-UHFFFAOYSA-N 1 1 378.314 3.078 20 30 GGEDMO CC[C@@](C)(C#N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000286776711 565979194 /nfs/dbraw/zinc/97/91/94/565979194.db2.gz ODYPMHLMSNAIJO-SFHVURJKSA-N 1 1 378.314 3.470 20 30 GGEDMO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C[C@@H](C)O1 ZINC000245562465 565996245 /nfs/dbraw/zinc/99/62/45/565996245.db2.gz XVQBCHCDOXDXRT-IIDMSEBBSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Br)C[C@@H](C)O1 ZINC000245562465 565996248 /nfs/dbraw/zinc/99/62/48/565996248.db2.gz XVQBCHCDOXDXRT-IIDMSEBBSA-N 1 1 392.341 3.394 20 30 GGEDMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245737804 566004961 /nfs/dbraw/zinc/00/49/61/566004961.db2.gz VCTXEHLZYMHQDZ-WMLDXEAASA-N 1 1 387.908 3.085 20 30 GGEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245737804 566004967 /nfs/dbraw/zinc/00/49/67/566004967.db2.gz VCTXEHLZYMHQDZ-WMLDXEAASA-N 1 1 387.908 3.085 20 30 GGEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287291141 566009359 /nfs/dbraw/zinc/00/93/59/566009359.db2.gz SCUAYXPWYRRRKR-UHFFFAOYSA-N 1 1 376.258 3.428 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245907976 566010496 /nfs/dbraw/zinc/01/04/96/566010496.db2.gz QYIYVORSKGHGOV-HOTGVXAUSA-N 1 1 379.913 3.137 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245907976 566010500 /nfs/dbraw/zinc/01/05/00/566010500.db2.gz QYIYVORSKGHGOV-HOTGVXAUSA-N 1 1 379.913 3.137 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCNC(=O)C(C)C)cc1OC ZINC000180838382 566093038 /nfs/dbraw/zinc/09/30/38/566093038.db2.gz HOFHAFMNBCZZPK-UHFFFAOYSA-N 1 1 399.329 3.227 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c(Br)c1 ZINC000181020254 566107367 /nfs/dbraw/zinc/10/73/67/566107367.db2.gz XYWNTFJNHBBLEW-UHFFFAOYSA-N 1 1 377.311 3.490 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nccs3)CC2)c(Br)c1 ZINC000181020254 566107368 /nfs/dbraw/zinc/10/73/68/566107368.db2.gz XYWNTFJNHBBLEW-UHFFFAOYSA-N 1 1 377.311 3.490 20 30 GGEDMO C=C(C)C[N@H+](C)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000181044423 566108044 /nfs/dbraw/zinc/10/80/44/566108044.db2.gz FIKKAEFTNDVZMJ-UHFFFAOYSA-N 1 1 399.329 3.323 20 30 GGEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181041436 566108155 /nfs/dbraw/zinc/10/81/55/566108155.db2.gz AVEBLNOOUMCXLM-MRXNPFEDSA-N 1 1 378.314 3.449 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181060807 566109931 /nfs/dbraw/zinc/10/99/31/566109931.db2.gz ZZRYUWLAQCRNRC-HNNXBMFYSA-N 1 1 378.314 3.449 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181060807 566109934 /nfs/dbraw/zinc/10/99/34/566109934.db2.gz ZZRYUWLAQCRNRC-HNNXBMFYSA-N 1 1 378.314 3.449 20 30 GGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181060414 566110024 /nfs/dbraw/zinc/11/00/24/566110024.db2.gz FCUMMNZQNMIMAB-HNNXBMFYSA-N 1 1 378.314 3.305 20 30 GGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181060414 566110028 /nfs/dbraw/zinc/11/00/28/566110028.db2.gz FCUMMNZQNMIMAB-HNNXBMFYSA-N 1 1 378.314 3.305 20 30 GGEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)COCc1ccccc1 ZINC000181109157 566115783 /nfs/dbraw/zinc/11/57/83/566115783.db2.gz PQYNAWIXSVJPKL-GOSISDBHSA-N 1 1 389.293 3.330 20 30 GGEDMO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H](O)COCc1ccccc1 ZINC000181109157 566115788 /nfs/dbraw/zinc/11/57/88/566115788.db2.gz PQYNAWIXSVJPKL-GOSISDBHSA-N 1 1 389.293 3.330 20 30 GGEDMO C=CCNC(=O)C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000181127439 566118199 /nfs/dbraw/zinc/11/81/99/566118199.db2.gz RGJIQISXECYYQJ-UHFFFAOYSA-N 1 1 391.313 3.150 20 30 GGEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cccnc2)CC1 ZINC000181440154 566140430 /nfs/dbraw/zinc/14/04/30/566140430.db2.gz NYZSOVOJTFHSJU-IBGZPJMESA-N 1 1 385.309 3.269 20 30 GGEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000181436551 566140473 /nfs/dbraw/zinc/14/04/73/566140473.db2.gz BTUQXBJGYQBMNB-MSOLQXFVSA-N 1 1 378.314 3.200 20 30 GGEDMO C[N@H+]1CCC[C@@H]1CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181441560 566141194 /nfs/dbraw/zinc/14/11/94/566141194.db2.gz MXJWNDOYVKGZKV-MOPGFXCFSA-N 1 1 391.357 3.116 20 30 GGEDMO CC(C)[NH+]1CCN(C2CCN(c3cccc(Br)c3C#N)CC2)CC1 ZINC000290900968 566194547 /nfs/dbraw/zinc/19/45/47/566194547.db2.gz FCSDRWOJYBVJJU-UHFFFAOYSA-N 1 1 391.357 3.316 20 30 GGEDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000367966399 566225335 /nfs/dbraw/zinc/22/53/35/566225335.db2.gz ZDEYVSVIBNNNPN-FUHWJXTLSA-N 1 1 389.297 3.142 20 30 GGEDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000367966398 566225679 /nfs/dbraw/zinc/22/56/79/566225679.db2.gz ZDEYVSVIBNNNPN-AEFFLSMTSA-N 1 1 389.297 3.142 20 30 GGEDMO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183016637 566234828 /nfs/dbraw/zinc/23/48/28/566234828.db2.gz GYLSXKGYDIHXNJ-KGLIPLIRSA-N 1 1 381.929 3.143 20 30 GGEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183024619 566235034 /nfs/dbraw/zinc/23/50/34/566235034.db2.gz GGBAUDXVXQNUJA-HIFRSBDPSA-N 1 1 381.929 3.143 20 30 GGEDMO CC1CCC([NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000462142937 566254609 /nfs/dbraw/zinc/25/46/09/566254609.db2.gz OBAKAUSHZRQGBF-UHFFFAOYSA-N 1 1 381.929 3.097 20 30 GGEDMO C[N@H+](CC/C=C\c1ccc(Br)cc1)CCCc1[nH]nc(N)c1C#N ZINC000534835172 566258265 /nfs/dbraw/zinc/25/82/65/566258265.db2.gz LWLHKFYNICCSPL-DJWKRKHSSA-N 1 1 388.313 3.424 20 30 GGEDMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)COc1ccccc1C#N ZINC000599388768 566260381 /nfs/dbraw/zinc/26/03/81/566260381.db2.gz OTNCVBYXHDEERQ-HNNXBMFYSA-N 1 1 393.256 3.332 20 30 GGEDMO N#Cc1ccc(OCC[N@@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000556281548 566279998 /nfs/dbraw/zinc/27/99/98/566279998.db2.gz QIAGLINONBSAMU-UHFFFAOYSA-N 1 1 393.256 3.333 20 30 GGEDMO N#Cc1ccc(OCC[N@H+](CCO)Cc2cc(Br)ccc2F)cc1 ZINC000556281548 566280007 /nfs/dbraw/zinc/28/00/07/566280007.db2.gz QIAGLINONBSAMU-UHFFFAOYSA-N 1 1 393.256 3.333 20 30 GGEDMO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669817575 566328927 /nfs/dbraw/zinc/32/89/27/566328927.db2.gz LTVZUJKMXZFHDL-AWEZNQCLSA-N 1 1 390.329 3.424 20 30 GGEDMO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669809626 566329349 /nfs/dbraw/zinc/32/93/49/566329349.db2.gz ZNWLRDIIRMBZCX-GFCCVEGCSA-N 1 1 396.358 3.486 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420977850 566333251 /nfs/dbraw/zinc/33/32/51/566333251.db2.gz SOANKPGXEPGCPX-INIZCTEOSA-N 1 1 378.314 3.218 20 30 GGEDMO COC(=O)CC[N@H+](Cc1cccc(Br)c1)Cc1ccc(C#N)cn1 ZINC000576527028 566353559 /nfs/dbraw/zinc/35/35/59/566353559.db2.gz NRJSUIDGOJUCEN-UHFFFAOYSA-N 1 1 388.265 3.281 20 30 GGEDMO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)Cc1ccc(C#N)cn1 ZINC000576527028 566353568 /nfs/dbraw/zinc/35/35/68/566353568.db2.gz NRJSUIDGOJUCEN-UHFFFAOYSA-N 1 1 388.265 3.281 20 30 GGEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000670207559 566354243 /nfs/dbraw/zinc/35/42/43/566354243.db2.gz IFJMAESYMLEDST-CYBMUJFWSA-N 1 1 393.333 3.142 20 30 GGEDMO OC[C@@]1(F)CC[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000670273647 566355470 /nfs/dbraw/zinc/35/54/70/566355470.db2.gz NRSBTJPQPCFMEM-QWHCGFSZSA-N 1 1 375.284 3.465 20 30 GGEDMO OC[C@@]1(F)CC[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000670273647 566355479 /nfs/dbraw/zinc/35/54/79/566355479.db2.gz NRSBTJPQPCFMEM-QWHCGFSZSA-N 1 1 375.284 3.465 20 30 GGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483255395 566367533 /nfs/dbraw/zinc/36/75/33/566367533.db2.gz PVAFBPFFBFVTCI-HNNXBMFYSA-N 1 1 378.822 3.406 20 30 GGEDMO Cn1cc(C[NH2+]Cc2ccc(Cl)cc2I)cc1C#N ZINC000446841140 566368322 /nfs/dbraw/zinc/36/83/22/566368322.db2.gz MLBDREGFTQRGLD-UHFFFAOYSA-N 1 1 385.636 3.445 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cc1OC ZINC000421361829 566368687 /nfs/dbraw/zinc/36/86/87/566368687.db2.gz LWKIMKKYIYXTRF-UKRRQHHQSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)cc1OC ZINC000421361829 566368693 /nfs/dbraw/zinc/36/86/93/566368693.db2.gz LWKIMKKYIYXTRF-UKRRQHHQSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000483527591 566388738 /nfs/dbraw/zinc/38/87/38/566388738.db2.gz BVFGHMXNKTWQPD-UHFFFAOYSA-N 1 1 393.372 3.173 20 30 GGEDMO C=CCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000483527591 566388742 /nfs/dbraw/zinc/38/87/42/566388742.db2.gz BVFGHMXNKTWQPD-UHFFFAOYSA-N 1 1 393.372 3.173 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCc1cccc(Br)c1 ZINC000463428363 566410954 /nfs/dbraw/zinc/41/09/54/566410954.db2.gz KOXCWVYZEDIWDN-KBXCAEBGSA-N 1 1 380.330 3.366 20 30 GGEDMO Cc1cc(N2CCC[C@H]([NH+]3CCC(C#N)CC3)C2=O)ccc1Br ZINC000463529758 566416902 /nfs/dbraw/zinc/41/69/02/566416902.db2.gz ZZDSJRRNMYMDKL-KRWDZBQOSA-N 1 1 376.298 3.489 20 30 GGEDMO CC(C)([NH2+]Cc1ccc(Br)cc1C#N)C(=O)NCC1CCCC1 ZINC000558105105 566450808 /nfs/dbraw/zinc/45/08/08/566450808.db2.gz UMTNVWYSANUDBW-UHFFFAOYSA-N 1 1 378.314 3.495 20 30 GGEDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cccc(C#N)c1Br ZINC000577816394 566467619 /nfs/dbraw/zinc/46/76/19/566467619.db2.gz BOIVBMUDCGZYOK-CQSZACIVSA-N 1 1 387.281 3.384 20 30 GGEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cc(Cl)ccc1Cl ZINC000577981261 566481379 /nfs/dbraw/zinc/48/13/79/566481379.db2.gz KJFPLMRAFRHJBD-LLVKDONJSA-N 1 1 384.288 3.385 20 30 GGEDMO N#CC1(CCC[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CCOCC1 ZINC000602888507 566498480 /nfs/dbraw/zinc/49/84/80/566498480.db2.gz VCYBVNXPXMONIK-INIZCTEOSA-N 1 1 394.313 3.398 20 30 GGEDMO N#CC1(CCC[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CCOCC1 ZINC000602888512 566498740 /nfs/dbraw/zinc/49/87/40/566498740.db2.gz VCYBVNXPXMONIK-MRXNPFEDSA-N 1 1 394.313 3.398 20 30 GGEDMO CC(C)([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1Br ZINC000538225305 566499658 /nfs/dbraw/zinc/49/96/58/566499658.db2.gz VHMSHPBKKWZEKW-UHFFFAOYSA-N 1 1 386.293 3.462 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)COc1cccc(Br)c1C#N ZINC000449100900 566528742 /nfs/dbraw/zinc/52/87/42/566528742.db2.gz CZUGNJZGKPYJCE-AWEZNQCLSA-N 1 1 394.313 3.080 20 30 GGEDMO C[N@@H+](CCOCCC#N)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000559187854 566533511 /nfs/dbraw/zinc/53/35/11/566533511.db2.gz POCIJIACYZOPSJ-MRXNPFEDSA-N 1 1 397.313 3.369 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCc2ccc(Br)cc21 ZINC000538781892 566537339 /nfs/dbraw/zinc/53/73/39/566537339.db2.gz DVIVAMRNNZZQQI-QGZVFWFLSA-N 1 1 388.313 3.398 20 30 GGEDMO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3cc(C#N)cs3)CC2)cs1 ZINC000538812902 566539122 /nfs/dbraw/zinc/53/91/22/566539122.db2.gz OJOVFAURASQGRV-AWEZNQCLSA-N 1 1 376.551 3.492 20 30 GGEDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3cc(C#N)cs3)CC2)cs1 ZINC000538812902 566539131 /nfs/dbraw/zinc/53/91/31/566539131.db2.gz OJOVFAURASQGRV-AWEZNQCLSA-N 1 1 376.551 3.492 20 30 GGEDMO C=CCOc1c(Br)cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1OC ZINC000449516718 566571313 /nfs/dbraw/zinc/57/13/13/566571313.db2.gz HISVFGBQBYLEPD-GOEBONIOSA-N 1 1 381.314 3.158 20 30 GGEDMO O[C@H](COc1ccccc1F)C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460626 566594618 /nfs/dbraw/zinc/59/46/18/566594618.db2.gz RGUHJBCNRKGTHO-HBNTYKKESA-N 1 1 375.284 3.238 20 30 GGEDMO O[C@@H](COc1ccc(F)cc1)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674463884 566595309 /nfs/dbraw/zinc/59/53/09/566595309.db2.gz UNIKWRUDQGCKJV-RTXFEEFZSA-N 1 1 375.284 3.238 20 30 GGEDMO O[C@@H](COc1ccc(F)cc1)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674463884 566595314 /nfs/dbraw/zinc/59/53/14/566595314.db2.gz UNIKWRUDQGCKJV-RTXFEEFZSA-N 1 1 375.284 3.238 20 30 GGEDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(Br)c(C#N)cc2F)CC1 ZINC000579414775 566607977 /nfs/dbraw/zinc/60/79/77/566607977.db2.gz UCBUEXVQIKIJDD-ZDUSSCGKSA-N 1 1 383.309 3.145 20 30 GGEDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(Br)c(C#N)cc2F)CC1 ZINC000579414773 566608060 /nfs/dbraw/zinc/60/80/60/566608060.db2.gz UCBUEXVQIKIJDD-CYBMUJFWSA-N 1 1 383.309 3.145 20 30 GGEDMO Cc1cccc(N2CCC(NC(=O)c3cccc(C#N)c3Br)CC2)[nH+]1 ZINC000449885282 566613324 /nfs/dbraw/zinc/61/33/24/566613324.db2.gz DOUIFMASMYLPKN-UHFFFAOYSA-N 1 1 399.292 3.423 20 30 GGEDMO N#Cc1ccc([C@@H]([NH2+]Cc2cc3cc(Br)ccc3[nH]2)C(N)=O)cc1 ZINC000467003138 566614947 /nfs/dbraw/zinc/61/49/47/566614947.db2.gz JVRNGRMXFMAAEV-QGZVFWFLSA-N 1 1 383.249 3.118 20 30 GGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cn1 ZINC000579542912 566617653 /nfs/dbraw/zinc/61/76/53/566617653.db2.gz ABBILEOEHBXCBW-UGSOOPFHSA-N 1 1 399.292 3.167 20 30 GGEDMO N#Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Br ZINC000450182148 566642448 /nfs/dbraw/zinc/64/24/48/566642448.db2.gz ABBNWFQLRLFJDQ-WMLDXEAASA-N 1 1 388.309 3.410 20 30 GGEDMO N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Br ZINC000450182150 566642720 /nfs/dbraw/zinc/64/27/20/566642720.db2.gz ABBNWFQLRLFJDQ-YOEHRIQHSA-N 1 1 388.309 3.410 20 30 GGEDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505658 566651581 /nfs/dbraw/zinc/65/15/81/566651581.db2.gz BVRSLTDRZSAPJC-VDNDLQMASA-N 1 1 377.282 3.330 20 30 GGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)c(OCC)c(OC)c2)C1=O ZINC000467517011 566652777 /nfs/dbraw/zinc/65/27/77/566652777.db2.gz QQHUVSWBSDPRBY-HNNXBMFYSA-N 1 1 397.313 3.075 20 30 GGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)c(OCC)c(OC)c2)C1=O ZINC000467517011 566652783 /nfs/dbraw/zinc/65/27/83/566652783.db2.gz QQHUVSWBSDPRBY-HNNXBMFYSA-N 1 1 397.313 3.075 20 30 GGEDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)c2Br)[C@H]1c1ccccc1 ZINC000450274003 566652974 /nfs/dbraw/zinc/65/29/74/566652974.db2.gz FIZJGHYIMYDLQJ-SJLPKXTDSA-N 1 1 384.277 3.496 20 30 GGEDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(C#N)c2Br)[C@H]1c1ccccc1 ZINC000450274002 566653062 /nfs/dbraw/zinc/65/30/62/566653062.db2.gz FIZJGHYIMYDLQJ-FUHWJXTLSA-N 1 1 384.277 3.496 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc(Br)cc2C#N)[C@@H](C)C1 ZINC000450340295 566660477 /nfs/dbraw/zinc/66/04/77/566660477.db2.gz VARQVSRGZZPXSB-XJKSGUPXSA-N 1 1 381.318 3.265 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(I)c1)[NH+]1CCC(CC#N)CC1 ZINC000541020243 566687676 /nfs/dbraw/zinc/68/76/76/566687676.db2.gz NDYCCJIDKIEFSK-LBPRGKRZSA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000580510198 566699709 /nfs/dbraw/zinc/69/97/09/566699709.db2.gz CBPCVWZMOCHTKS-ZBFHGGJFSA-N 1 1 390.325 3.264 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000468452787 566702809 /nfs/dbraw/zinc/70/28/09/566702809.db2.gz WBLBEPFAAHAOGQ-GOSISDBHSA-N 1 1 393.325 3.388 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1OC ZINC000426532866 566716952 /nfs/dbraw/zinc/71/69/52/566716952.db2.gz YWKGXGZPHRRQFN-GOSISDBHSA-N 1 1 382.298 3.369 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@](O)(C3CC3)C2)cc1OC ZINC000426532866 566716959 /nfs/dbraw/zinc/71/69/59/566716959.db2.gz YWKGXGZPHRRQFN-GOSISDBHSA-N 1 1 382.298 3.369 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000515523737 566719699 /nfs/dbraw/zinc/71/96/99/566719699.db2.gz RWGFMTQECAHOKD-GASCZTMLSA-N 1 1 383.945 3.248 20 30 GGEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000515559472 566720864 /nfs/dbraw/zinc/72/08/64/566720864.db2.gz QMEWMURDCIUFAD-CHWSQXEVSA-N 1 1 393.333 3.141 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(F)cc2Br)cc1 ZINC000515573890 566722171 /nfs/dbraw/zinc/72/21/71/566722171.db2.gz SGKKLJPPPVKWGK-UHFFFAOYSA-N 1 1 397.269 3.023 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000515637823 566724805 /nfs/dbraw/zinc/72/48/05/566724805.db2.gz FNZGUJAQJSGEBQ-AWEZNQCLSA-N 1 1 397.338 3.472 20 30 GGEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1cccs1 ZINC000450982798 566728569 /nfs/dbraw/zinc/72/85/69/566728569.db2.gz VKUIVCWGXZOMMT-CQSZACIVSA-N 1 1 383.926 3.049 20 30 GGEDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000561786428 566740293 /nfs/dbraw/zinc/74/02/93/566740293.db2.gz FLEFWJCMOFWYAO-INIZCTEOSA-N 1 1 382.957 3.074 20 30 GGEDMO N#CCC1(CS(=O)(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000451045643 566743097 /nfs/dbraw/zinc/74/30/97/566743097.db2.gz MXNGBCXDIVRMKE-QGZVFWFLSA-N 1 1 381.929 3.090 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000609634322 566778685 /nfs/dbraw/zinc/77/86/85/566778685.db2.gz FAQGKKULZJTMHE-INIZCTEOSA-N 1 1 375.519 3.044 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](CC)CC(=O)N(C)C)cc1OCC ZINC000678139186 566785376 /nfs/dbraw/zinc/78/53/76/566785376.db2.gz LMSGWYNHNXJCLH-UHFFFAOYSA-N 1 1 399.329 3.323 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)CC(=O)N(C)C)cc1OCC ZINC000678139186 566785382 /nfs/dbraw/zinc/78/53/82/566785382.db2.gz LMSGWYNHNXJCLH-UHFFFAOYSA-N 1 1 399.329 3.323 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000542317060 566793512 /nfs/dbraw/zinc/79/35/12/566793512.db2.gz PSCRMCAWRRCXCH-UHFFFAOYSA-N 1 1 393.734 3.031 20 30 GGEDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451345318 566800250 /nfs/dbraw/zinc/80/02/50/566800250.db2.gz RPAZADXHSZXUJM-INIZCTEOSA-N 1 1 383.945 3.052 20 30 GGEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000469637474 566805461 /nfs/dbraw/zinc/80/54/61/566805461.db2.gz LWWBICTVHFOVAB-KRWDZBQOSA-N 1 1 399.304 3.212 20 30 GGEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000469637474 566805462 /nfs/dbraw/zinc/80/54/62/566805462.db2.gz LWWBICTVHFOVAB-KRWDZBQOSA-N 1 1 399.304 3.212 20 30 GGEDMO CC[N@@H+](CCNC(=O)c1ccc(Br)cc1C#N)CCC(F)(F)F ZINC000451382387 566808052 /nfs/dbraw/zinc/80/80/52/566808052.db2.gz GOOAMEKNWIVXMW-UHFFFAOYSA-N 1 1 392.219 3.325 20 30 GGEDMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000451525407 566832207 /nfs/dbraw/zinc/83/22/07/566832207.db2.gz ANILMIKJKLHSIW-KRWDZBQOSA-N 1 1 383.945 3.336 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(=O)OC)[C@H]2C)cc1OC ZINC000470148165 566850012 /nfs/dbraw/zinc/85/00/12/566850012.db2.gz JFGWPXXYWGNAOS-TZMCWYRMSA-N 1 1 398.297 3.406 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)cc1OC ZINC000470148165 566850016 /nfs/dbraw/zinc/85/00/16/566850016.db2.gz JFGWPXXYWGNAOS-TZMCWYRMSA-N 1 1 398.297 3.406 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCOc3cccc(Br)c3)C2)nc1 ZINC000428776841 566875604 /nfs/dbraw/zinc/87/56/04/566875604.db2.gz GECPKPVQDNYYLR-KRWDZBQOSA-N 1 1 388.265 3.248 20 30 GGEDMO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Br ZINC000428818558 566883034 /nfs/dbraw/zinc/88/30/34/566883034.db2.gz NOGIYUHUFYHEBZ-OAHLLOKOSA-N 1 1 388.265 3.378 20 30 GGEDMO COc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Br ZINC000428818558 566883041 /nfs/dbraw/zinc/88/30/41/566883041.db2.gz NOGIYUHUFYHEBZ-OAHLLOKOSA-N 1 1 388.265 3.378 20 30 GGEDMO C[C@@](CO)([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000451892347 566903264 /nfs/dbraw/zinc/90/32/64/566903264.db2.gz PDLIMOKLVURGAI-KRWDZBQOSA-N 1 1 384.307 3.133 20 30 GGEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@H+](C)C1CC1 ZINC000491829593 566917558 /nfs/dbraw/zinc/91/75/58/566917558.db2.gz FTICRPGORWNXKP-UHFFFAOYSA-N 1 1 384.293 3.380 20 30 GGEDMO C=CCn1c(SC[C@@H](O)C[N@H+](C)C(C)C)nc2cc(Cl)ccc2c1=O ZINC000656690532 566934416 /nfs/dbraw/zinc/93/44/16/566934416.db2.gz JIHJWMMDEVJANG-AWEZNQCLSA-N 1 1 381.929 3.029 20 30 GGEDMO C[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)CC[N@H+](C2CCC2)C1 ZINC000452327387 566962306 /nfs/dbraw/zinc/96/23/06/566962306.db2.gz OVNIFALIYNCQID-CYBMUJFWSA-N 1 1 376.298 3.267 20 30 GGEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338360 566965217 /nfs/dbraw/zinc/96/52/17/566965217.db2.gz AVTVWHIRIZAIIN-GDZNZVCISA-N 1 1 376.298 3.123 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000519869378 566975921 /nfs/dbraw/zinc/97/59/21/566975921.db2.gz OFBZWMIOGKUJPX-INIZCTEOSA-N 1 1 381.885 3.166 20 30 GGEDMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000494267406 566980538 /nfs/dbraw/zinc/98/05/38/566980538.db2.gz GSHFNRUJXRONNL-OAHLLOKOSA-N 1 1 393.256 3.332 20 30 GGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Br)cc1OCCCO ZINC000583761715 566981552 /nfs/dbraw/zinc/98/15/52/566981552.db2.gz ZZDOMNAETQFZMV-CYBMUJFWSA-N 1 1 390.281 3.328 20 30 GGEDMO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Br)c1 ZINC000430175211 566996816 /nfs/dbraw/zinc/99/68/16/566996816.db2.gz BOKWYTKZQHRODK-MRXNPFEDSA-N 1 1 388.265 3.378 20 30 GGEDMO COc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(Br)c1 ZINC000430175211 566996821 /nfs/dbraw/zinc/99/68/21/566996821.db2.gz BOKWYTKZQHRODK-MRXNPFEDSA-N 1 1 388.265 3.378 20 30 GGEDMO C=CCNC(=O)C[N@@H+](Cc1cccc(Br)c1)CC1(O)CCCCC1 ZINC000472158970 567005543 /nfs/dbraw/zinc/00/55/43/567005543.db2.gz NXGPPHHRVMCNJQ-UHFFFAOYSA-N 1 1 395.341 3.249 20 30 GGEDMO C[C@@H]1COCC[N@H+]1C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000584538306 567052716 /nfs/dbraw/zinc/05/27/16/567052716.db2.gz LWLYGEXQUGXWAL-CQSZACIVSA-N 1 1 378.314 3.006 20 30 GGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000584742451 567066929 /nfs/dbraw/zinc/06/69/29/567066929.db2.gz NZIRUXONLMTZTN-CQSZACIVSA-N 1 1 377.897 3.010 20 30 GGEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCn1cc[nH+]c1C ZINC000522199405 567105114 /nfs/dbraw/zinc/10/51/14/567105114.db2.gz KPFRKBPWDSONNC-UHFFFAOYSA-N 1 1 395.276 3.491 20 30 GGEDMO CC1CCC([NH+]2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000522374357 567113865 /nfs/dbraw/zinc/11/38/65/567113865.db2.gz TVVHWTHMQUQTST-UHFFFAOYSA-N 1 1 381.929 3.097 20 30 GGEDMO N#Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000589451989 567179775 /nfs/dbraw/zinc/17/97/75/567179775.db2.gz YSXQLQBFEQNIFH-UHFFFAOYSA-N 1 1 399.292 3.110 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cn4cc(Br)ccc4n3)C2)nc1 ZINC000590003957 567202304 /nfs/dbraw/zinc/20/23/04/567202304.db2.gz IRPHTZDOKKZQOL-MRXNPFEDSA-N 1 1 398.264 3.017 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)nc1 ZINC000590003957 567202309 /nfs/dbraw/zinc/20/23/09/567202309.db2.gz IRPHTZDOKKZQOL-MRXNPFEDSA-N 1 1 398.264 3.017 20 30 GGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433303731 567240830 /nfs/dbraw/zinc/24/08/30/567240830.db2.gz LZCLKHJPEXLBST-GDBMZVCRSA-N 1 1 378.314 3.074 20 30 GGEDMO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294211 567240949 /nfs/dbraw/zinc/24/09/49/567240949.db2.gz KHYGHNCVQUNVMQ-VQIMIIECSA-N 1 1 398.304 3.412 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433306458 567242365 /nfs/dbraw/zinc/24/23/65/567242365.db2.gz SDGIGRKBPDNLNK-NVXWUHKLSA-N 1 1 392.341 3.322 20 30 GGEDMO N#Cc1ncc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1Cl ZINC000590844800 567251724 /nfs/dbraw/zinc/25/17/24/567251724.db2.gz MNSPIWJBJQVQLF-UHFFFAOYSA-N 1 1 375.885 3.060 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000433634410 567263213 /nfs/dbraw/zinc/26/32/13/567263213.db2.gz PTVJTTJUIRHCBV-UHFFFAOYSA-N 1 1 399.763 3.093 20 30 GGEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000525886379 567272790 /nfs/dbraw/zinc/27/27/90/567272790.db2.gz IVTAROYEIZEPHK-HNNXBMFYSA-N 1 1 378.314 3.264 20 30 GGEDMO C[N@H+](CCOc1ccc(Cl)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434306519 567303929 /nfs/dbraw/zinc/30/39/29/567303929.db2.gz IACSUTNMSISBJM-MRXNPFEDSA-N 1 1 375.881 3.389 20 30 GGEDMO C[N@@H+](CCOc1ccc(Cl)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434306519 567303935 /nfs/dbraw/zinc/30/39/35/567303935.db2.gz IACSUTNMSISBJM-MRXNPFEDSA-N 1 1 375.881 3.389 20 30 GGEDMO C[C@@H]1COCC[N@H+]1C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000568105086 567306168 /nfs/dbraw/zinc/30/61/68/567306168.db2.gz NZYCGZOGSRWJQM-CQSZACIVSA-N 1 1 378.314 3.006 20 30 GGEDMO C[C@H]1COCC[N@H+]1C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000568105085 567306264 /nfs/dbraw/zinc/30/62/64/567306264.db2.gz NZYCGZOGSRWJQM-AWEZNQCLSA-N 1 1 378.314 3.006 20 30 GGEDMO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000592149269 567318229 /nfs/dbraw/zinc/31/82/29/567318229.db2.gz LXSQOEPAFKJKEK-WMZOPIPTSA-N 1 1 382.291 3.007 20 30 GGEDMO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000592149269 567318234 /nfs/dbraw/zinc/31/82/34/567318234.db2.gz LXSQOEPAFKJKEK-WMZOPIPTSA-N 1 1 382.291 3.007 20 30 GGEDMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151031 567318314 /nfs/dbraw/zinc/31/83/14/567318314.db2.gz JISOKZRBMZASIS-SFHVURJKSA-N 1 1 394.313 3.135 20 30 GGEDMO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000592149268 567318552 /nfs/dbraw/zinc/31/85/52/567318552.db2.gz LXSQOEPAFKJKEK-SJLPKXTDSA-N 1 1 382.291 3.007 20 30 GGEDMO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000592149268 567318560 /nfs/dbraw/zinc/31/85/60/567318560.db2.gz LXSQOEPAFKJKEK-SJLPKXTDSA-N 1 1 382.291 3.007 20 30 GGEDMO C=CC[C@H](CC)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455906323 567319739 /nfs/dbraw/zinc/31/97/39/567319739.db2.gz RTPFQMGXBDGHSC-AWEZNQCLSA-N 1 1 396.333 3.072 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000527298590 567327684 /nfs/dbraw/zinc/32/76/84/567327684.db2.gz OXXJSHZDULQFKX-CQSZACIVSA-N 1 1 390.325 3.363 20 30 GGEDMO Cc1ccc2c(ncc(C#N)c2N2CCN(c3[nH]cc[nH+]3)CC2)c1Br ZINC000568457777 567330673 /nfs/dbraw/zinc/33/06/73/567330673.db2.gz MXSCGZMQYNHQRT-UHFFFAOYSA-N 1 1 397.280 3.227 20 30 GGEDMO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000527377619 567334964 /nfs/dbraw/zinc/33/49/64/567334964.db2.gz GAAAKTANMPZDHG-AWEZNQCLSA-N 1 1 394.338 3.480 20 30 GGEDMO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000527377619 567334970 /nfs/dbraw/zinc/33/49/70/567334970.db2.gz GAAAKTANMPZDHG-AWEZNQCLSA-N 1 1 394.338 3.480 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477085566 567369938 /nfs/dbraw/zinc/36/99/38/567369938.db2.gz SSPSKQLYHPDFNZ-KRWDZBQOSA-N 1 1 398.260 3.085 20 30 GGEDMO C[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477085566 567369943 /nfs/dbraw/zinc/36/99/43/567369943.db2.gz SSPSKQLYHPDFNZ-KRWDZBQOSA-N 1 1 398.260 3.085 20 30 GGEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000549250290 567380767 /nfs/dbraw/zinc/38/07/67/567380767.db2.gz BISRVYVFVZQFGA-INIZCTEOSA-N 1 1 398.315 3.446 20 30 GGEDMO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435643007 567380919 /nfs/dbraw/zinc/38/09/19/567380919.db2.gz AJLOVJYGWVBMJD-MRXNPFEDSA-N 1 1 381.929 3.287 20 30 GGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507144 567432812 /nfs/dbraw/zinc/43/28/12/567432812.db2.gz VWCUPMGLZGYOOS-RYQLBKOJSA-N 1 1 393.325 3.249 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)s1 ZINC000619548612 567465528 /nfs/dbraw/zinc/46/55/28/567465528.db2.gz IQKQJQXXFCHXKC-QGZVFWFLSA-N 1 1 375.519 3.125 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2cccc(Br)c2)CC1)C1CC1 ZINC000619624306 567471294 /nfs/dbraw/zinc/47/12/94/567471294.db2.gz YZJBPJZHIYXCEX-IBGZPJMESA-N 1 1 390.325 3.437 20 30 GGEDMO CC[N@@H+](CCNC(=O)NCc1ccc(C#N)c(Cl)c1)CCC(F)(F)F ZINC000619822683 567482645 /nfs/dbraw/zinc/48/26/45/567482645.db2.gz KXRCDTIZBITJJK-UHFFFAOYSA-N 1 1 376.810 3.285 20 30 GGEDMO CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000594556124 567484790 /nfs/dbraw/zinc/48/47/90/567484790.db2.gz PJBAZMIBCRYUBM-OAHLLOKOSA-N 1 1 395.320 3.065 20 30 GGEDMO CN(c1cc(Br)c(C#N)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000594556124 567484796 /nfs/dbraw/zinc/48/47/96/567484796.db2.gz PJBAZMIBCRYUBM-OAHLLOKOSA-N 1 1 395.320 3.065 20 30 GGEDMO CN(c1cc(Br)c(C#N)cc1F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000594556122 567485184 /nfs/dbraw/zinc/48/51/84/567485184.db2.gz PJBAZMIBCRYUBM-HNNXBMFYSA-N 1 1 395.320 3.065 20 30 GGEDMO CN(c1cc(Br)c(C#N)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000594556122 567485188 /nfs/dbraw/zinc/48/51/88/567485188.db2.gz PJBAZMIBCRYUBM-HNNXBMFYSA-N 1 1 395.320 3.065 20 30 GGEDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594752053 567506844 /nfs/dbraw/zinc/50/68/44/567506844.db2.gz IKYFBDQNZJRGHA-OAHLLOKOSA-N 1 1 377.535 3.092 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000594757645 567508019 /nfs/dbraw/zinc/50/80/19/567508019.db2.gz HMTNNIAJJFAHDU-MLGOLLRUSA-N 1 1 377.535 3.042 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000594782589 567512013 /nfs/dbraw/zinc/51/20/13/567512013.db2.gz CXKVZPZWOUSIOW-OAHLLOKOSA-N 1 1 377.535 3.185 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000594782588 567512200 /nfs/dbraw/zinc/51/22/00/567512200.db2.gz CXKVZPZWOUSIOW-HNNXBMFYSA-N 1 1 377.535 3.185 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)CCCC[NH+]1CCOCC1 ZINC000458037878 567515880 /nfs/dbraw/zinc/51/58/80/567515880.db2.gz PHTAIXWKGMIIIX-UHFFFAOYSA-N 1 1 397.313 3.455 20 30 GGEDMO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611562 567574013 /nfs/dbraw/zinc/57/40/13/567574013.db2.gz LASOKMAJPMOIOZ-LSDHHAIUSA-N 1 1 378.314 3.422 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610733 567574094 /nfs/dbraw/zinc/57/40/94/567574094.db2.gz AVYRPWAYXLZIBS-STQMWFEESA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610733 567574095 /nfs/dbraw/zinc/57/40/95/567574095.db2.gz AVYRPWAYXLZIBS-STQMWFEESA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611561 567574477 /nfs/dbraw/zinc/57/44/77/567574477.db2.gz LASOKMAJPMOIOZ-HUUCEWRRSA-N 1 1 378.314 3.422 20 30 GGEDMO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000571653019 567579686 /nfs/dbraw/zinc/57/96/86/567579686.db2.gz FDIZFDXKRCJBFN-MRXNPFEDSA-N 1 1 376.298 3.057 20 30 GGEDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000439466537 567588605 /nfs/dbraw/zinc/58/86/05/567588605.db2.gz HPGVUTXVWFYSDC-SFHVURJKSA-N 1 1 395.297 3.112 20 30 GGEDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000439466537 567588613 /nfs/dbraw/zinc/58/86/13/567588613.db2.gz HPGVUTXVWFYSDC-SFHVURJKSA-N 1 1 395.297 3.112 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000530336574 567594137 /nfs/dbraw/zinc/59/41/37/567594137.db2.gz SCOSKZLCBDPSHV-AWEZNQCLSA-N 1 1 388.309 3.489 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000530336574 567594142 /nfs/dbraw/zinc/59/41/42/567594142.db2.gz SCOSKZLCBDPSHV-AWEZNQCLSA-N 1 1 388.309 3.489 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3nc(C#N)c(Cl)s3)cc2)C[C@H](C)O1 ZINC000596077664 567606689 /nfs/dbraw/zinc/60/66/89/567606689.db2.gz AKSHVXYBOWJHTN-BETUJISGSA-N 1 1 376.913 3.311 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3cc(O)ccc3Br)CC2)cc1 ZINC000506100237 567609215 /nfs/dbraw/zinc/60/92/15/567609215.db2.gz WLUKGROQMNEVEJ-UHFFFAOYSA-N 1 1 386.293 3.344 20 30 GGEDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000480686310 567621509 /nfs/dbraw/zinc/62/15/09/567621509.db2.gz SSDLWKZGDLMRCE-UHFFFAOYSA-N 1 1 378.314 3.400 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531334127 567654286 /nfs/dbraw/zinc/65/42/86/567654286.db2.gz OWNUYVFVQUIGDH-KRWDZBQOSA-N 1 1 377.897 3.101 20 30 GGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000597178475 567687102 /nfs/dbraw/zinc/68/71/02/567687102.db2.gz YAYHOBPVDDEMTG-HNNXBMFYSA-N 1 1 378.314 3.411 20 30 GGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000597178475 567687105 /nfs/dbraw/zinc/68/71/05/567687105.db2.gz YAYHOBPVDDEMTG-HNNXBMFYSA-N 1 1 378.314 3.411 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443010995 567722747 /nfs/dbraw/zinc/72/27/47/567722747.db2.gz GAICZSRCMVYIIG-JKIFEVAISA-N 1 1 381.929 3.238 20 30 GGEDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000443024452 567724276 /nfs/dbraw/zinc/72/42/76/567724276.db2.gz ILFXADKRNFNBNO-UHFFFAOYSA-N 1 1 377.897 3.142 20 30 GGEDMO Cc1ccc([C@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)[NH+](C)C)cc1 ZINC000443033274 567725600 /nfs/dbraw/zinc/72/56/00/567725600.db2.gz FENRZWYIUVQPLH-KRWDZBQOSA-N 1 1 377.897 3.101 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443095820 567731348 /nfs/dbraw/zinc/73/13/48/567731348.db2.gz HEZCMPOEQLZYJL-GASCZTMLSA-N 1 1 383.945 3.248 20 30 GGEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000443107771 567732487 /nfs/dbraw/zinc/73/24/87/567732487.db2.gz ZJKHTHFMXDBGNZ-HNNXBMFYSA-N 1 1 395.937 3.389 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc(C)c1C#N)c1ccsc1 ZINC000443113812 567733061 /nfs/dbraw/zinc/73/30/61/567733061.db2.gz ZGNMMGMUOBZHKP-QGZVFWFLSA-N 1 1 377.535 3.290 20 30 GGEDMO CC(C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(Cl)c1F ZINC000554736654 567746445 /nfs/dbraw/zinc/74/64/45/567746445.db2.gz CGWXCEKPDXBYQO-UHFFFAOYSA-N 1 1 381.860 3.044 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598221939 567749239 /nfs/dbraw/zinc/74/92/39/567749239.db2.gz ZCLRLPWNXIXMJA-HNNXBMFYSA-N 1 1 376.298 3.458 20 30 GGEDMO CC(=O)NCC[N@H+](Cc1cc(C#N)ccc1Br)C1CCSCC1 ZINC000555071074 567766793 /nfs/dbraw/zinc/76/67/93/567766793.db2.gz LNSXSBWWDJNJSD-UHFFFAOYSA-N 1 1 396.354 3.154 20 30 GGEDMO CC(=O)NCC[N@@H+](Cc1cc(C#N)ccc1Br)C1CCSCC1 ZINC000555071074 567766798 /nfs/dbraw/zinc/76/67/98/567766798.db2.gz LNSXSBWWDJNJSD-UHFFFAOYSA-N 1 1 396.354 3.154 20 30 GGEDMO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000598585487 567777620 /nfs/dbraw/zinc/77/76/20/567777620.db2.gz DXXWMQYGJCJQSH-ZDUSSCGKSA-N 1 1 384.307 3.052 20 30 GGEDMO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000598613422 567780264 /nfs/dbraw/zinc/78/02/64/567780264.db2.gz XGXVOGNKYVMNAA-SMDDNHRTSA-N 1 1 393.285 3.450 20 30 GGEDMO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598614218 567780322 /nfs/dbraw/zinc/78/03/22/567780322.db2.gz BKLBPYXYQFDIIP-MRXNPFEDSA-N 1 1 386.323 3.232 20 30 GGEDMO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598614218 567780328 /nfs/dbraw/zinc/78/03/28/567780328.db2.gz BKLBPYXYQFDIIP-MRXNPFEDSA-N 1 1 386.323 3.232 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C)c1)c1ccsc1 ZINC000443969188 567783676 /nfs/dbraw/zinc/78/36/76/567783676.db2.gz RUESCTKWBGAAFG-SFHVURJKSA-N 1 1 377.535 3.290 20 30 GGEDMO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ncc1Br ZINC000598972779 567801714 /nfs/dbraw/zinc/80/17/14/567801714.db2.gz XQDMQUISNMIVIL-GOSISDBHSA-N 1 1 399.292 3.309 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012881618 570283588 /nfs/dbraw/zinc/28/35/88/570283588.db2.gz IPVHIKUHOYDBCF-INIZCTEOSA-N 1 1 376.460 3.236 20 30 GGEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000036391728 570674770 /nfs/dbraw/zinc/67/47/70/570674770.db2.gz UMXZHSKIJGXQOE-LAUBAEHRSA-N 1 1 382.460 3.152 20 30 GGEDMO CCN1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)CC1 ZINC000032932652 570945657 /nfs/dbraw/zinc/94/56/57/570945657.db2.gz MQCJKRWKLPLGEE-UHFFFAOYSA-N 1 1 379.464 3.216 20 30 GGEDMO C#CCC[NH+]1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000084667760 571030178 /nfs/dbraw/zinc/03/01/78/571030178.db2.gz RCEFOSBCDQSRME-CQSZACIVSA-N 1 1 378.398 3.457 20 30 GGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000822801371 606907670 /nfs/dbraw/zinc/90/76/70/606907670.db2.gz HXUSEBGHTOCSOK-NHCUHLMSSA-N 1 1 388.475 3.407 20 30 GGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000822801371 606907672 /nfs/dbraw/zinc/90/76/72/606907672.db2.gz HXUSEBGHTOCSOK-NHCUHLMSSA-N 1 1 388.475 3.407 20 30 GGEDMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000826168541 608356882 /nfs/dbraw/zinc/35/68/82/608356882.db2.gz QIDDXIGMGAPCPA-UHFFFAOYSA-N 1 1 376.464 3.405 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824984548 608542297 /nfs/dbraw/zinc/54/22/97/608542297.db2.gz LIDVJNHSCDZKKZ-CYBMUJFWSA-N 1 1 396.886 3.225 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000053065553 1406279561 /nfs/dbraw/zinc/27/95/61/1406279561.db2.gz PSLMCHWXNILTQJ-UHFFFAOYSA-N 1 1 381.505 3.132 20 30 GGEDMO CC(=O)Nc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000053179228 1406315200 /nfs/dbraw/zinc/31/52/00/1406315200.db2.gz UPUMSDOCJGLKNE-UHFFFAOYSA-N 1 1 394.450 3.004 20 30 GGEDMO CC(=O)Nc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000053179228 1406315210 /nfs/dbraw/zinc/31/52/10/1406315210.db2.gz UPUMSDOCJGLKNE-UHFFFAOYSA-N 1 1 394.450 3.004 20 30 GGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053270083 1406350205 /nfs/dbraw/zinc/35/02/05/1406350205.db2.gz FDJXIIFYSOWUTI-FQEVSTJZSA-N 1 1 383.517 3.198 20 30 GGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053270083 1406350218 /nfs/dbraw/zinc/35/02/18/1406350218.db2.gz FDJXIIFYSOWUTI-FQEVSTJZSA-N 1 1 383.517 3.198 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053304008 1406359137 /nfs/dbraw/zinc/35/91/37/1406359137.db2.gz MYTLVQNHSUCFMQ-CALCHBBNSA-N 1 1 387.572 3.219 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000053420494 1406391828 /nfs/dbraw/zinc/39/18/28/1406391828.db2.gz PGLJNGNQTYHVCR-GCJKJVERSA-N 1 1 392.503 3.429 20 30 GGEDMO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)n1 ZINC000053639706 1406467845 /nfs/dbraw/zinc/46/78/45/1406467845.db2.gz LTMQHWPLSKJVTE-AWEZNQCLSA-N 1 1 385.443 3.032 20 30 GGEDMO COc1ccccc1OCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000053709867 1406484298 /nfs/dbraw/zinc/48/42/98/1406484298.db2.gz NYPXSBGEMOLZLK-UHFFFAOYSA-N 1 1 399.516 3.456 20 30 GGEDMO COc1ccc(C(=[NH2+])NOC=C(O)c2cc(C)n(CC(F)(F)F)c2C)cc1 ZINC000054230692 1406661555 /nfs/dbraw/zinc/66/15/55/1406661555.db2.gz ZSLHAUFIBGSHBW-UHFFFAOYSA-N 1 1 383.370 3.196 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000054338139 1406695406 /nfs/dbraw/zinc/69/54/06/1406695406.db2.gz XDHKMEDUSKIHGP-GMAHTHKFSA-N 1 1 380.488 3.174 20 30 GGEDMO Cc1cc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc(C)c1OCC(F)(F)F ZINC000054394316 1406718246 /nfs/dbraw/zinc/71/82/46/1406718246.db2.gz IKONKFUIJCWSIE-IBGZPJMESA-N 1 1 397.441 3.485 20 30 GGEDMO Cc1cc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc(C)c1OCC(F)(F)F ZINC000054394316 1406718250 /nfs/dbraw/zinc/71/82/50/1406718250.db2.gz IKONKFUIJCWSIE-IBGZPJMESA-N 1 1 397.441 3.485 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc2c(c1)OCO2 ZINC000054427360 1406731700 /nfs/dbraw/zinc/73/17/00/1406731700.db2.gz VEMQHMZDRJXUKM-UHFFFAOYSA-N 1 1 383.473 3.298 20 30 GGEDMO Cc1cccc(NC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054454788 1406741485 /nfs/dbraw/zinc/74/14/85/1406741485.db2.gz GSPMQAXXHNCTGJ-LJQANCHMSA-N 1 1 376.504 3.402 20 30 GGEDMO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054643134 1406794167 /nfs/dbraw/zinc/79/41/67/1406794167.db2.gz SDCXNNIXHRBMOU-HXUWFJFHSA-N 1 1 390.531 3.286 20 30 GGEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054643134 1406794196 /nfs/dbraw/zinc/79/41/96/1406794196.db2.gz SDCXNNIXHRBMOU-HXUWFJFHSA-N 1 1 390.531 3.286 20 30 GGEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054643134 1406794208 /nfs/dbraw/zinc/79/42/08/1406794208.db2.gz SDCXNNIXHRBMOU-HXUWFJFHSA-N 1 1 390.531 3.286 20 30 GGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000054940230 1406853987 /nfs/dbraw/zinc/85/39/87/1406853987.db2.gz WHYJSJGQFXQOKI-KSSFIOAISA-N 1 1 396.878 3.102 20 30 GGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000054940232 1406854418 /nfs/dbraw/zinc/85/44/18/1406854418.db2.gz WHYJSJGQFXQOKI-KDOFPFPSSA-N 1 1 396.878 3.102 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000054985159 1406865332 /nfs/dbraw/zinc/86/53/32/1406865332.db2.gz LBRVKDKPOOOUBH-UHFFFAOYSA-N 1 1 378.398 3.326 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000054985159 1406865334 /nfs/dbraw/zinc/86/53/34/1406865334.db2.gz LBRVKDKPOOOUBH-UHFFFAOYSA-N 1 1 378.398 3.326 20 30 GGEDMO COc1ccccc1[C@H](CNS(=O)(=O)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000055277776 1406918948 /nfs/dbraw/zinc/91/89/48/1406918948.db2.gz STJYLEYPCGBXHS-FQEVSTJZSA-N 1 1 399.516 3.072 20 30 GGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(OC)c2)cc1 ZINC000009710502 1398864401 /nfs/dbraw/zinc/86/44/01/1398864401.db2.gz CFJNEWVFQJNJJO-UHFFFAOYSA-N 1 1 381.476 3.473 20 30 GGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(OC)c2)cc1 ZINC000009710502 1398864402 /nfs/dbraw/zinc/86/44/02/1398864402.db2.gz CFJNEWVFQJNJJO-UHFFFAOYSA-N 1 1 381.476 3.473 20 30 GGEDMO CCN1C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)Oc2ccccc21 ZINC000010056829 1398874173 /nfs/dbraw/zinc/87/41/73/1398874173.db2.gz KFAXMLDTSBJEOW-WMZOPIPTSA-N 1 1 378.476 3.105 20 30 GGEDMO CCN1C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)Oc2ccccc21 ZINC000010056829 1398874174 /nfs/dbraw/zinc/87/41/74/1398874174.db2.gz KFAXMLDTSBJEOW-WMZOPIPTSA-N 1 1 378.476 3.105 20 30 GGEDMO COc1cc(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)ccc1OC(F)F ZINC000015143733 1399142222 /nfs/dbraw/zinc/14/22/22/1399142222.db2.gz SVUNMXJOOCAPSI-UHFFFAOYSA-N 1 1 395.450 3.413 20 30 GGEDMO COc1cc(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)ccc1OC(F)F ZINC000015143733 1399142223 /nfs/dbraw/zinc/14/22/23/1399142223.db2.gz SVUNMXJOOCAPSI-UHFFFAOYSA-N 1 1 395.450 3.413 20 30 GGEDMO NC(=[NH+]OCC(=O)NCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000015397222 1399160703 /nfs/dbraw/zinc/16/07/03/1399160703.db2.gz JBCMNPRKPIOMME-UHFFFAOYSA-N 1 1 375.900 3.461 20 30 GGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000015405006 1399161455 /nfs/dbraw/zinc/16/14/55/1399161455.db2.gz NIJUEOLVFCRKFI-UHFFFAOYSA-N 1 1 393.553 3.088 20 30 GGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000015405006 1399161460 /nfs/dbraw/zinc/16/14/60/1399161460.db2.gz NIJUEOLVFCRKFI-UHFFFAOYSA-N 1 1 393.553 3.088 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550826 1399171579 /nfs/dbraw/zinc/17/15/79/1399171579.db2.gz SANRLGOSBCMVHL-MRXNPFEDSA-N 1 1 376.460 3.236 20 30 GGEDMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000017740650 1399289229 /nfs/dbraw/zinc/28/92/29/1399289229.db2.gz MKBSJVOFGUFVRM-IBGZPJMESA-N 1 1 385.895 3.082 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406098 1399378399 /nfs/dbraw/zinc/37/83/99/1399378399.db2.gz UTSLMPNMCWMVOU-KRWDZBQOSA-N 1 1 380.467 3.232 20 30 GGEDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021404906 1399378541 /nfs/dbraw/zinc/37/85/41/1399378541.db2.gz LEOJDWFZYKUWEB-UHFFFAOYSA-N 1 1 380.448 3.183 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406190 1399378957 /nfs/dbraw/zinc/37/89/57/1399378957.db2.gz CULJUMFZHZKXJI-INIZCTEOSA-N 1 1 398.457 3.371 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406233 1399379176 /nfs/dbraw/zinc/37/91/76/1399379176.db2.gz QPXHIDMKGUMZBP-INIZCTEOSA-N 1 1 398.457 3.371 20 30 GGEDMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)c1 ZINC000022774038 1399501173 /nfs/dbraw/zinc/50/11/73/1399501173.db2.gz HPCGQUYBEVRLGT-UHFFFAOYSA-N 1 1 382.895 3.276 20 30 GGEDMO N#Cc1c(NC(=O)CC[NH+]2CCN(Cc3ccco3)CC2)sc2c1CCCC2 ZINC000022843743 1399510461 /nfs/dbraw/zinc/51/04/61/1399510461.db2.gz LLRRRCIWQSZTDN-UHFFFAOYSA-N 1 1 398.532 3.238 20 30 GGEDMO CN(C(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1(C#N)CCCCC1 ZINC000022850999 1399511061 /nfs/dbraw/zinc/51/10/61/1399511061.db2.gz UXJNEGNXWGRHFZ-UHFFFAOYSA-N 1 1 386.515 3.018 20 30 GGEDMO Cc1ccccc1C[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000023332393 1399549571 /nfs/dbraw/zinc/54/95/71/1399549571.db2.gz UVTMQNKBWFJJJC-UHFFFAOYSA-N 1 1 382.895 3.276 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000023752807 1399582805 /nfs/dbraw/zinc/58/28/05/1399582805.db2.gz ALDABLUZFXGNDP-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000023752807 1399582811 /nfs/dbraw/zinc/58/28/11/1399582811.db2.gz ALDABLUZFXGNDP-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3nc4ccccc4o3)CC2)cc1 ZINC000023753173 1399583226 /nfs/dbraw/zinc/58/32/26/1399583226.db2.gz KCXSKJCSDCALDM-UHFFFAOYSA-N 1 1 388.471 3.367 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cn4cccn4)cc3)CC2)cc1 ZINC000023753947 1399583425 /nfs/dbraw/zinc/58/34/25/1399583425.db2.gz MOPVLZDJVCKPPO-UHFFFAOYSA-N 1 1 399.498 3.151 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cn4cccn4)cc3)CC2)cc1 ZINC000023753947 1399583432 /nfs/dbraw/zinc/58/34/32/1399583432.db2.gz MOPVLZDJVCKPPO-UHFFFAOYSA-N 1 1 399.498 3.151 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000023777285 1399584648 /nfs/dbraw/zinc/58/46/48/1399584648.db2.gz PEXODENMNAGJCQ-QPJJXVBHSA-N 1 1 380.517 3.279 20 30 GGEDMO N#Cc1ccsc1NC(=O)CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023777285 1399584654 /nfs/dbraw/zinc/58/46/54/1399584654.db2.gz PEXODENMNAGJCQ-QPJJXVBHSA-N 1 1 380.517 3.279 20 30 GGEDMO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2cccc(C#N)c2)c2cccs2)CC1 ZINC000023994506 1399594818 /nfs/dbraw/zinc/59/48/18/1399594818.db2.gz UFZPEAALSZSJMJ-SFHVURJKSA-N 1 1 389.546 3.371 20 30 GGEDMO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000024663926 1399653688 /nfs/dbraw/zinc/65/36/88/1399653688.db2.gz LKVAZCRJNIMWCL-QGZVFWFLSA-N 1 1 381.451 3.199 20 30 GGEDMO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000024663926 1399653694 /nfs/dbraw/zinc/65/36/94/1399653694.db2.gz LKVAZCRJNIMWCL-QGZVFWFLSA-N 1 1 381.451 3.199 20 30 GGEDMO C[C@@H](Oc1ccccc1F)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000024663913 1399653937 /nfs/dbraw/zinc/65/39/37/1399653937.db2.gz MXMHXUINWGJAOM-QGZVFWFLSA-N 1 1 381.451 3.199 20 30 GGEDMO C[C@@H](Oc1ccccc1F)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000024663913 1399653943 /nfs/dbraw/zinc/65/39/43/1399653943.db2.gz 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N#Cc1ccc(OCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000025183851 1399764134 /nfs/dbraw/zinc/76/41/34/1399764134.db2.gz LLQUUPXHZFVSRU-UHFFFAOYSA-N 1 1 375.472 3.494 20 30 GGEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c(OC)c1 ZINC000025301344 1399791721 /nfs/dbraw/zinc/79/17/21/1399791721.db2.gz OOLWXRFYRNNNGE-XMSQKQJNSA-N 1 1 396.487 3.347 20 30 GGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)c(OC)c1 ZINC000025301341 1399792202 /nfs/dbraw/zinc/79/22/02/1399792202.db2.gz OOLWXRFYRNNNGE-GCJKJVERSA-N 1 1 396.487 3.347 20 30 GGEDMO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000025357534 1399802460 /nfs/dbraw/zinc/80/24/60/1399802460.db2.gz GSBUYVNRGWQVQK-UHFFFAOYSA-N 1 1 381.476 3.473 20 30 GGEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000025357534 1399802461 /nfs/dbraw/zinc/80/24/61/1399802461.db2.gz GSBUYVNRGWQVQK-UHFFFAOYSA-N 1 1 381.476 3.473 20 30 GGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025460517 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ZINC000046854467 1404614174 /nfs/dbraw/zinc/61/41/74/1404614174.db2.gz DPVQFTDJWDZHFZ-UHFFFAOYSA-N 1 1 384.549 3.268 20 30 GGEDMO Cc1ccccc1C[NH+]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000046865801 1404617784 /nfs/dbraw/zinc/61/77/84/1404617784.db2.gz OLRZJAOIAKKGBE-UHFFFAOYSA-N 1 1 379.529 3.444 20 30 GGEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000047262297 1404774146 /nfs/dbraw/zinc/77/41/46/1404774146.db2.gz AYYIQUWZGVBARQ-MRXNPFEDSA-N 1 1 384.867 3.336 20 30 GGEDMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1C(C)(C)C ZINC000047297094 1404793673 /nfs/dbraw/zinc/79/36/73/1404793673.db2.gz MIWMHFGRPPOTHH-UHFFFAOYSA-N 1 1 379.508 3.166 20 30 GGEDMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1C(C)(C)C ZINC000047297094 1404793686 /nfs/dbraw/zinc/79/36/86/1404793686.db2.gz MIWMHFGRPPOTHH-UHFFFAOYSA-N 1 1 379.508 3.166 20 30 GGEDMO N#Cc1ccc(NC(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047333745 1404809668 /nfs/dbraw/zinc/80/96/68/1404809668.db2.gz PAHZGZLZSNKPGK-UHFFFAOYSA-N 1 1 391.519 3.278 20 30 GGEDMO C=CCc1ccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c(OC)c1 ZINC000047385491 1404822948 /nfs/dbraw/zinc/82/29/48/1404822948.db2.gz QRXCOWLCSGYHKY-UHFFFAOYSA-N 1 1 378.432 3.330 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1C#N ZINC000047405525 1404828310 /nfs/dbraw/zinc/82/83/10/1404828310.db2.gz UJCYNIRMBZMNFY-KRWDZBQOSA-N 1 1 396.491 3.057 20 30 GGEDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000047521316 1404857029 /nfs/dbraw/zinc/85/70/29/1404857029.db2.gz BRTQERDFTUYTEM-UHFFFAOYSA-N 1 1 381.358 3.216 20 30 GGEDMO CCC[N@@H+](CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccc(C#N)cc1 ZINC000047740320 1404913652 /nfs/dbraw/zinc/91/36/52/1404913652.db2.gz LEZVIHBGEXFVCC-UHFFFAOYSA-N 1 1 396.560 3.176 20 30 GGEDMO C[NH+](C)[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000047792718 1404947000 /nfs/dbraw/zinc/94/70/00/1404947000.db2.gz KPCNULSJKPLOIA-MRXNPFEDSA-N 1 1 379.382 3.252 20 30 GGEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047798211 1404950551 /nfs/dbraw/zinc/95/05/51/1404950551.db2.gz YKUPPWWPKAEMRT-HNNXBMFYSA-N 1 1 376.447 3.449 20 30 GGEDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000048126200 1405066457 /nfs/dbraw/zinc/06/64/57/1405066457.db2.gz QVZOOVCWUGLUJD-KRWDZBQOSA-N 1 1 391.475 3.274 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1 ZINC000048149500 1405076177 /nfs/dbraw/zinc/07/61/77/1405076177.db2.gz XZUBUEXVPYEOPY-IBGZPJMESA-N 1 1 396.491 3.035 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000048159569 1405078715 /nfs/dbraw/zinc/07/87/15/1405078715.db2.gz BVJZLESCMYJHSU-UHFFFAOYSA-N 1 1 380.492 3.246 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000048160439 1405078891 /nfs/dbraw/zinc/07/88/91/1405078891.db2.gz YJTCJMHBQPXCLV-QGZVFWFLSA-N 1 1 392.503 3.171 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCC#Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000048415584 1405183168 /nfs/dbraw/zinc/18/31/68/1405183168.db2.gz SJRZVHJRYAZZRX-BGYRXZFFSA-N 1 1 391.515 3.147 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000048827242 1405300817 /nfs/dbraw/zinc/30/08/17/1405300817.db2.gz GRLDHXGTPLYNRT-HDICACEKSA-N 1 1 392.503 3.167 20 30 GGEDMO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000048833399 1405302726 /nfs/dbraw/zinc/30/27/26/1405302726.db2.gz CRQFMJIDYOFRDZ-IBGZPJMESA-N 1 1 398.894 3.349 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)NCc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000048978705 1405330796 /nfs/dbraw/zinc/33/07/96/1405330796.db2.gz YZYCFFRBLZAMAY-QZTJIDSGSA-N 1 1 392.503 3.167 20 30 GGEDMO C=CC[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)Cc1ccccc1 ZINC000051400799 1405804812 /nfs/dbraw/zinc/80/48/12/1405804812.db2.gz UDFFXBIMBFOHQN-UHFFFAOYSA-N 1 1 397.563 3.316 20 30 GGEDMO C=CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)Cc1ccccc1 ZINC000051400799 1405804813 /nfs/dbraw/zinc/80/48/13/1405804813.db2.gz UDFFXBIMBFOHQN-UHFFFAOYSA-N 1 1 397.563 3.316 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000051999508 1405895918 /nfs/dbraw/zinc/89/59/18/1405895918.db2.gz PDJVOJWEXHDAKY-UHFFFAOYSA-N 1 1 382.508 3.126 20 30 GGEDMO CN(CC1CCCCC1)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409078 1406043701 /nfs/dbraw/zinc/04/37/01/1406043701.db2.gz VVGNRSYUBAMUQL-UHFFFAOYSA-N 1 1 382.552 3.105 20 30 GGEDMO CN(CC1CCCCC1)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409078 1406043719 /nfs/dbraw/zinc/04/37/19/1406043719.db2.gz VVGNRSYUBAMUQL-UHFFFAOYSA-N 1 1 382.552 3.105 20 30 GGEDMO CN(CC1CCCCC1)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409078 1406043730 /nfs/dbraw/zinc/04/37/30/1406043730.db2.gz VVGNRSYUBAMUQL-UHFFFAOYSA-N 1 1 382.552 3.105 20 30 GGEDMO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409065 1406043828 /nfs/dbraw/zinc/04/38/28/1406043828.db2.gz SCZXLGITMSZJBU-UGKGYDQZSA-N 1 1 382.552 3.103 20 30 GGEDMO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409065 1406043840 /nfs/dbraw/zinc/04/38/40/1406043840.db2.gz SCZXLGITMSZJBU-UGKGYDQZSA-N 1 1 382.552 3.103 20 30 GGEDMO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409065 1406043851 /nfs/dbraw/zinc/04/38/51/1406043851.db2.gz SCZXLGITMSZJBU-UGKGYDQZSA-N 1 1 382.552 3.103 20 30 GGEDMO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409067 1406044177 /nfs/dbraw/zinc/04/41/77/1406044177.db2.gz SCZXLGITMSZJBU-DENIHFKCSA-N 1 1 382.552 3.103 20 30 GGEDMO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409067 1406044207 /nfs/dbraw/zinc/04/42/07/1406044207.db2.gz SCZXLGITMSZJBU-DENIHFKCSA-N 1 1 382.552 3.103 20 30 GGEDMO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409067 1406044220 /nfs/dbraw/zinc/04/42/20/1406044220.db2.gz SCZXLGITMSZJBU-DENIHFKCSA-N 1 1 382.552 3.103 20 30 GGEDMO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000052466053 1406060425 /nfs/dbraw/zinc/06/04/25/1406060425.db2.gz JFCPOHSQVYGGEX-KRWDZBQOSA-N 1 1 378.476 3.106 20 30 GGEDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000052466053 1406060440 /nfs/dbraw/zinc/06/04/40/1406060440.db2.gz JFCPOHSQVYGGEX-KRWDZBQOSA-N 1 1 378.476 3.106 20 30 GGEDMO C[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000052580506 1406088173 /nfs/dbraw/zinc/08/81/73/1406088173.db2.gz IEADFSPJZSNDGA-UHFFFAOYSA-N 1 1 391.393 3.248 20 30 GGEDMO C[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000052580506 1406088178 /nfs/dbraw/zinc/08/81/78/1406088178.db2.gz IEADFSPJZSNDGA-UHFFFAOYSA-N 1 1 391.393 3.248 20 30 GGEDMO C[N@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000052580946 1406088542 /nfs/dbraw/zinc/08/85/42/1406088542.db2.gz OBNCSELBAAEKTF-UHFFFAOYSA-N 1 1 391.393 3.204 20 30 GGEDMO C[N@@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000052580946 1406088552 /nfs/dbraw/zinc/08/85/52/1406088552.db2.gz OBNCSELBAAEKTF-UHFFFAOYSA-N 1 1 391.393 3.204 20 30 GGEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000052638242 1406101800 /nfs/dbraw/zinc/10/18/00/1406101800.db2.gz KVJNPVQVEMFBPS-UHFFFAOYSA-N 1 1 380.492 3.195 20 30 GGEDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052800967 1406173749 /nfs/dbraw/zinc/17/37/49/1406173749.db2.gz FEVFEUCFRXQJPH-UHFFFAOYSA-N 1 1 378.476 3.108 20 30 GGEDMO CCOc1ccc(NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052800967 1406173771 /nfs/dbraw/zinc/17/37/71/1406173771.db2.gz FEVFEUCFRXQJPH-UHFFFAOYSA-N 1 1 378.476 3.108 20 30 GGEDMO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801038 1406173904 /nfs/dbraw/zinc/17/39/04/1406173904.db2.gz YWQLBXKSTXNZJQ-KRWDZBQOSA-N 1 1 378.476 3.106 20 30 GGEDMO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801038 1406173919 /nfs/dbraw/zinc/17/39/19/1406173919.db2.gz YWQLBXKSTXNZJQ-KRWDZBQOSA-N 1 1 378.476 3.106 20 30 GGEDMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801215 1406174682 /nfs/dbraw/zinc/17/46/82/1406174682.db2.gz FGVPYQLZXITMRD-SFHVURJKSA-N 1 1 392.503 3.496 20 30 GGEDMO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801215 1406174699 /nfs/dbraw/zinc/17/46/99/1406174699.db2.gz FGVPYQLZXITMRD-SFHVURJKSA-N 1 1 392.503 3.496 20 30 GGEDMO Cc1ccc(CN(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C2CC2)o1 ZINC000052801559 1406176582 /nfs/dbraw/zinc/17/65/82/1406176582.db2.gz TZHWQVOPUXZWFE-UHFFFAOYSA-N 1 1 392.503 3.163 20 30 GGEDMO Cc1ccc(CN(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)C2CC2)o1 ZINC000052801559 1406176595 /nfs/dbraw/zinc/17/65/95/1406176595.db2.gz TZHWQVOPUXZWFE-UHFFFAOYSA-N 1 1 392.503 3.163 20 30 GGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052829848 1406190482 /nfs/dbraw/zinc/19/04/82/1406190482.db2.gz XPPQHLLFBPMWFD-HOTGVXAUSA-N 1 1 392.931 3.199 20 30 GGEDMO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000052862786 1406201715 /nfs/dbraw/zinc/20/17/15/1406201715.db2.gz SBLMPQPMIOOLHB-WMZOPIPTSA-N 1 1 381.480 3.201 20 30 GGEDMO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000052862786 1406201724 /nfs/dbraw/zinc/20/17/24/1406201724.db2.gz SBLMPQPMIOOLHB-WMZOPIPTSA-N 1 1 381.480 3.201 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)C2)n1 ZINC000052863544 1406202436 /nfs/dbraw/zinc/20/24/36/1406202436.db2.gz YBROIXLZPFNHEF-GOSISDBHSA-N 1 1 381.480 3.121 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)C2)n1 ZINC000052863544 1406202445 /nfs/dbraw/zinc/20/24/45/1406202445.db2.gz YBROIXLZPFNHEF-GOSISDBHSA-N 1 1 381.480 3.121 20 30 GGEDMO C=CCN(Cc1ccccc1F)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056827992 1407446577 /nfs/dbraw/zinc/44/65/77/1407446577.db2.gz PIZXXEPUMLGOOK-CALCHBBNSA-N 1 1 377.504 3.411 20 30 GGEDMO C=CCN(Cc1ccccc1F)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056827992 1407446579 /nfs/dbraw/zinc/44/65/79/1407446579.db2.gz PIZXXEPUMLGOOK-CALCHBBNSA-N 1 1 377.504 3.411 20 30 GGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000056831618 1407447266 /nfs/dbraw/zinc/44/72/66/1407447266.db2.gz QMJISKPOJIZTIM-FQEVSTJZSA-N 1 1 389.540 3.140 20 30 GGEDMO C[C@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176328418 1428248095 /nfs/dbraw/zinc/24/80/95/1428248095.db2.gz WUBOGJQRTQBSQR-IBGZPJMESA-N 1 1 392.503 3.395 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000057570007 1407652430 /nfs/dbraw/zinc/65/24/30/1407652430.db2.gz HXZCEQILOYUGDI-KRWDZBQOSA-N 1 1 379.460 3.225 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000057570007 1407652440 /nfs/dbraw/zinc/65/24/40/1407652440.db2.gz HXZCEQILOYUGDI-KRWDZBQOSA-N 1 1 379.460 3.225 20 30 GGEDMO C=C(C)COc1cc(C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)ccc1OC ZINC000057961607 1407762259 /nfs/dbraw/zinc/76/22/59/1407762259.db2.gz ZFGPDPMIRWNVHO-HXUWFJFHSA-N 1 1 375.557 3.012 20 30 GGEDMO CCN1C[C@H](C[N@@H+](C)CCC(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000058289135 1407807341 /nfs/dbraw/zinc/80/73/41/1407807341.db2.gz BVGLRPOKQYEMPU-INIZCTEOSA-N 1 1 384.505 3.168 20 30 GGEDMO N#Cc1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000058315752 1407810707 /nfs/dbraw/zinc/81/07/07/1407810707.db2.gz YXIAUVFLJNDOCD-UHFFFAOYSA-N 1 1 389.908 3.155 20 30 GGEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000058452248 1407831207 /nfs/dbraw/zinc/83/12/07/1407831207.db2.gz LMLHFHZLBPUSDV-UHFFFAOYSA-N 1 1 391.519 3.326 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000058452826 1407831227 /nfs/dbraw/zinc/83/12/27/1407831227.db2.gz QTCHUEQYEKJNIB-UHFFFAOYSA-N 1 1 391.519 3.196 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000058580532 1407847653 /nfs/dbraw/zinc/84/76/53/1407847653.db2.gz QJKAUNZGYGLKMX-HXUWFJFHSA-N 1 1 399.922 3.301 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000060089836 1407937295 /nfs/dbraw/zinc/93/72/95/1407937295.db2.gz CZKHWPWETKMGCM-IBGZPJMESA-N 1 1 377.444 3.495 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000060394550 1407969548 /nfs/dbraw/zinc/96/95/48/1407969548.db2.gz HTFWBAVKCLWSIQ-UHFFFAOYSA-N 1 1 387.524 3.305 20 30 GGEDMO CC[N@@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477551 1407986371 /nfs/dbraw/zinc/98/63/71/1407986371.db2.gz UUQIXXRHVGXFNC-OAHLLOKOSA-N 1 1 380.448 3.298 20 30 GGEDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000060477508 1407986609 /nfs/dbraw/zinc/98/66/09/1407986609.db2.gz KLLVMSZJJDSACU-CYBMUJFWSA-N 1 1 396.403 3.217 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000060477508 1407986614 /nfs/dbraw/zinc/98/66/14/1407986614.db2.gz KLLVMSZJJDSACU-CYBMUJFWSA-N 1 1 396.403 3.217 20 30 GGEDMO N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000176376784 1428283712 /nfs/dbraw/zinc/28/37/12/1428283712.db2.gz VQIQMHYLMHDDGA-IBGZPJMESA-N 1 1 380.467 3.061 20 30 GGEDMO NC(CCCc1ccccc1)=[NH+]OCCCS(=O)(=O)c1ccc(F)cc1 ZINC000060875298 1408045686 /nfs/dbraw/zinc/04/56/86/1408045686.db2.gz YMHDNSYXFOQNRM-UHFFFAOYSA-N 1 1 378.469 3.301 20 30 GGEDMO CN1CC[NH+](CCCNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000061211566 1408091474 /nfs/dbraw/zinc/09/14/74/1408091474.db2.gz SFNVSRKPBGIQTE-UHFFFAOYSA-N 1 1 394.544 3.077 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1)CC(F)(F)F ZINC000176399518 1428301947 /nfs/dbraw/zinc/30/19/47/1428301947.db2.gz GRNRQEWGDQHUFU-CYBMUJFWSA-N 1 1 388.459 3.154 20 30 GGEDMO CCN(C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000176407284 1428306244 /nfs/dbraw/zinc/30/62/44/1428306244.db2.gz QIWRHSOAWASUNH-HOCLYGCPSA-N 1 1 382.430 3.091 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1)CC(F)(F)F ZINC000176410346 1428308660 /nfs/dbraw/zinc/30/86/60/1428308660.db2.gz AYHQVOXCMFZPLQ-GJZGRUSLSA-N 1 1 382.430 3.091 20 30 GGEDMO CCN(C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1)CC(F)(F)F ZINC000176410346 1428308667 /nfs/dbraw/zinc/30/86/67/1428308667.db2.gz AYHQVOXCMFZPLQ-GJZGRUSLSA-N 1 1 382.430 3.091 20 30 GGEDMO C=CC[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C#N)c1 ZINC000063299795 1408331371 /nfs/dbraw/zinc/33/13/71/1408331371.db2.gz LODSNESVMLESOL-UHFFFAOYSA-N 1 1 384.501 3.419 20 30 GGEDMO C=CC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(C#N)c1 ZINC000063299795 1408331377 /nfs/dbraw/zinc/33/13/77/1408331377.db2.gz LODSNESVMLESOL-UHFFFAOYSA-N 1 1 384.501 3.419 20 30 GGEDMO C=CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1cccc(C#N)c1 ZINC000063300921 1408332325 /nfs/dbraw/zinc/33/23/25/1408332325.db2.gz ICHVMOQHNWGYMS-UHFFFAOYSA-N 1 1 394.431 3.492 20 30 GGEDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000063302486 1408333005 /nfs/dbraw/zinc/33/30/05/1408333005.db2.gz WGBMLTAYLGADKQ-QZTJIDSGSA-N 1 1 398.551 3.478 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000063401232 1408348759 /nfs/dbraw/zinc/34/87/59/1408348759.db2.gz KRHGYLTWMHRQPJ-QFIPXVFZSA-N 1 1 398.551 3.393 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)CC(F)(F)F ZINC000176414620 1428310902 /nfs/dbraw/zinc/31/09/02/1428310902.db2.gz IWXXGQNUFSXNGX-HNNXBMFYSA-N 1 1 393.413 3.314 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000063401217 1408348916 /nfs/dbraw/zinc/34/89/16/1408348916.db2.gz MMAKYMAKTMMKNK-OAQYLSRUSA-N 1 1 384.524 3.003 20 30 GGEDMO Cc1cc(C(=O)C(C(=S)NC2CCN(C)CC2)[n+]2ccccc2)c(C)s1 ZINC000063441657 1408354743 /nfs/dbraw/zinc/35/47/43/1408354743.db2.gz VBANJXGXKQJJLW-UHFFFAOYSA-O 1 1 388.582 3.275 20 30 GGEDMO CCc1ccccc1NC(=O)CNC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063750933 1408401723 /nfs/dbraw/zinc/40/17/23/1408401723.db2.gz RJSSFJWCWZGIBU-UHFFFAOYSA-N 1 1 392.503 3.086 20 30 GGEDMO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063750933 1408401733 /nfs/dbraw/zinc/40/17/33/1408401733.db2.gz RJSSFJWCWZGIBU-UHFFFAOYSA-N 1 1 392.503 3.086 20 30 GGEDMO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCCC1 ZINC000064014421 1408466692 /nfs/dbraw/zinc/46/66/92/1408466692.db2.gz PTQLLRFXLYXCJX-GOSISDBHSA-N 1 1 398.551 3.478 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000064401653 1408545782 /nfs/dbraw/zinc/54/57/82/1408545782.db2.gz UIJMNUNJPSISJQ-INIZCTEOSA-N 1 1 390.578 3.320 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCN(c2nccs2)CC1 ZINC000064401653 1408545789 /nfs/dbraw/zinc/54/57/89/1408545789.db2.gz UIJMNUNJPSISJQ-INIZCTEOSA-N 1 1 390.578 3.320 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000064401674 1408546412 /nfs/dbraw/zinc/54/64/12/1408546412.db2.gz KDIYQYKTEMETFO-GOSISDBHSA-N 1 1 397.548 3.299 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000064401674 1408546419 /nfs/dbraw/zinc/54/64/19/1408546419.db2.gz KDIYQYKTEMETFO-GOSISDBHSA-N 1 1 397.548 3.299 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000064442635 1408555506 /nfs/dbraw/zinc/55/55/06/1408555506.db2.gz JFFVGSPDGZPHLY-UHFFFAOYSA-N 1 1 376.460 3.112 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC000064443923 1408556015 /nfs/dbraw/zinc/55/60/15/1408556015.db2.gz YWTWBHRIMGFILZ-UHFFFAOYSA-N 1 1 376.504 3.058 20 30 GGEDMO N#Cc1ccccc1OCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064481386 1408565510 /nfs/dbraw/zinc/56/55/10/1408565510.db2.gz KAGIYNLEGFAGPM-UHFFFAOYSA-N 1 1 383.879 3.439 20 30 GGEDMO N#Cc1ccccc1OCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064481386 1408565519 /nfs/dbraw/zinc/56/55/19/1408565519.db2.gz KAGIYNLEGFAGPM-UHFFFAOYSA-N 1 1 383.879 3.439 20 30 GGEDMO COc1cccc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]2CCCO2)c1 ZINC000064518584 1408571680 /nfs/dbraw/zinc/57/16/80/1408571680.db2.gz PDODFBXAGQRSPU-FQEVSTJZSA-N 1 1 385.508 3.019 20 30 GGEDMO COc1cccc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]2CCCO2)c1 ZINC000064518584 1408571686 /nfs/dbraw/zinc/57/16/86/1408571686.db2.gz PDODFBXAGQRSPU-FQEVSTJZSA-N 1 1 385.508 3.019 20 30 GGEDMO C[C@H]1CN(c2ccc(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000064556578 1408577156 /nfs/dbraw/zinc/57/71/56/1408577156.db2.gz LEVSLONOZUGNPR-ROUUACIJSA-N 1 1 392.503 3.242 20 30 GGEDMO C[C@H]1CN(c2ccc(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000064556578 1408577162 /nfs/dbraw/zinc/57/71/62/1408577162.db2.gz LEVSLONOZUGNPR-ROUUACIJSA-N 1 1 392.503 3.242 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064735493 1408604831 /nfs/dbraw/zinc/60/48/31/1408604831.db2.gz XXZBABBOXHVJCQ-FUHIMQAGSA-N 1 1 385.556 3.210 20 30 GGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000065054588 1408640273 /nfs/dbraw/zinc/64/02/73/1408640273.db2.gz VNYRIZPIHMXCKS-UHFFFAOYSA-N 1 1 390.531 3.358 20 30 GGEDMO CN1CC[NH+](Cc2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)CC1 ZINC000065074016 1408642075 /nfs/dbraw/zinc/64/20/75/1408642075.db2.gz WTUKFNKFVGIMGT-UHFFFAOYSA-N 1 1 392.503 3.369 20 30 GGEDMO C=CCc1cc(CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000065389163 1408664943 /nfs/dbraw/zinc/66/49/43/1408664943.db2.gz LRJJWWFSSMQPQE-IAGOWNOFSA-N 1 1 389.540 3.352 20 30 GGEDMO CC(C)C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(C)C)[NH+]1CCOCC1 ZINC000065473139 1408674925 /nfs/dbraw/zinc/67/49/25/1408674925.db2.gz FNXCOIXQXYERQZ-GOSISDBHSA-N 1 1 388.512 3.214 20 30 GGEDMO N#Cc1ccc(OCC[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000065682734 1408711227 /nfs/dbraw/zinc/71/12/27/1408711227.db2.gz WSJCGHDFWLHRMB-UHFFFAOYSA-N 1 1 395.894 3.056 20 30 GGEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000065930752 1408756229 /nfs/dbraw/zinc/75/62/29/1408756229.db2.gz WQEYCAXCEURWHI-UHFFFAOYSA-N 1 1 391.450 3.291 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000065950772 1408761479 /nfs/dbraw/zinc/76/14/79/1408761479.db2.gz GESIUZXBGNYVOF-UHFFFAOYSA-N 1 1 389.459 3.213 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000065950772 1408761482 /nfs/dbraw/zinc/76/14/82/1408761482.db2.gz GESIUZXBGNYVOF-UHFFFAOYSA-N 1 1 389.459 3.213 20 30 GGEDMO N#CCCN(C(=O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1)c1ccccc1 ZINC000065965095 1408764338 /nfs/dbraw/zinc/76/43/38/1408764338.db2.gz CVMBVTUZEFSNBG-UHFFFAOYSA-N 1 1 396.535 3.094 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065965183 1408764462 /nfs/dbraw/zinc/76/44/62/1408764462.db2.gz ICEXYNDORJAIGK-MRXNPFEDSA-N 1 1 382.508 3.046 20 30 GGEDMO CC(C)C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)[NH+]1CCOCC1 ZINC000066176850 1408787319 /nfs/dbraw/zinc/78/73/19/1408787319.db2.gz HIHXNCWWZSTJPS-NRFANRHFSA-N 1 1 386.540 3.225 20 30 GGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CO[NH+]=C(N)CCc1ccccc1 ZINC000066374097 1408825228 /nfs/dbraw/zinc/82/52/28/1408825228.db2.gz PUIIJGAIJOAVGN-UHFFFAOYSA-N 1 1 391.475 3.349 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000066422702 1408835441 /nfs/dbraw/zinc/83/54/41/1408835441.db2.gz XXTJBMBUIGBEKB-QFIPXVFZSA-N 1 1 399.514 3.145 20 30 GGEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COc2ccc(C#N)c(F)c2)CC1 ZINC000066749225 1408899094 /nfs/dbraw/zinc/89/90/94/1408899094.db2.gz PEQJZUCKOFCADF-UHFFFAOYSA-N 1 1 381.451 3.119 20 30 GGEDMO CC(C)CNC(=O)c1cccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000066828638 1408922917 /nfs/dbraw/zinc/92/29/17/1408922917.db2.gz MIWPTLYAOXBXGK-UHFFFAOYSA-N 1 1 390.531 3.262 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@H+](CCC(=O)NCC3CCCCC3)CC2)cc1 ZINC000066870876 1408938112 /nfs/dbraw/zinc/93/81/12/1408938112.db2.gz QECOYFHQKQTYFF-UHFFFAOYSA-N 1 1 382.552 3.153 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899382 1408945810 /nfs/dbraw/zinc/94/58/10/1408945810.db2.gz ZLCWTCWQUQKJNM-LJQANCHMSA-N 1 1 377.444 3.495 20 30 GGEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066953593 1408962945 /nfs/dbraw/zinc/96/29/45/1408962945.db2.gz UAFDYASVVGJHPV-KRWDZBQOSA-N 1 1 393.491 3.108 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000066954642 1408963023 /nfs/dbraw/zinc/96/30/23/1408963023.db2.gz ZTEDVKNUUWUZPQ-IRXDYDNUSA-N 1 1 388.537 3.409 20 30 GGEDMO N#Cc1cccc(Oc2ccc(NC(=O)NCCC[NH+]3CCOCC3)cc2)c1 ZINC000066953618 1408963144 /nfs/dbraw/zinc/96/31/44/1408963144.db2.gz WDCQQZXMLQVSKW-UHFFFAOYSA-N 1 1 380.448 3.194 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000066954644 1408963202 /nfs/dbraw/zinc/96/32/02/1408963202.db2.gz ZTEDVKNUUWUZPQ-DLBZAZTESA-N 1 1 388.537 3.409 20 30 GGEDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000067141663 1409020200 /nfs/dbraw/zinc/02/02/00/1409020200.db2.gz ONVHJTMKVBINLD-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000067141663 1409020206 /nfs/dbraw/zinc/02/02/06/1409020206.db2.gz ONVHJTMKVBINLD-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000067231148 1409048903 /nfs/dbraw/zinc/04/89/03/1409048903.db2.gz IFJRTUGYKJXTLD-RXVVDRJESA-N 1 1 394.471 3.101 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000067377583 1409092382 /nfs/dbraw/zinc/09/23/82/1409092382.db2.gz ANHPTKVJVHRHPZ-SFHVURJKSA-N 1 1 385.508 3.185 20 30 GGEDMO C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000067377906 1409092495 /nfs/dbraw/zinc/09/24/95/1409092495.db2.gz WVXBFZLDHGPOPH-PXNSSMCTSA-N 1 1 393.487 3.142 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000067491579 1409134624 /nfs/dbraw/zinc/13/46/24/1409134624.db2.gz TUNZCHDOVBLAQJ-IBGZPJMESA-N 1 1 397.475 3.126 20 30 GGEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(CC#N)cc3)c2)CCO1 ZINC000067561414 1409163459 /nfs/dbraw/zinc/16/34/59/1409163459.db2.gz UJSDGERBVPIIMU-KRWDZBQOSA-N 1 1 378.476 3.295 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(CC#N)cc3)c2)CCO1 ZINC000067561414 1409163467 /nfs/dbraw/zinc/16/34/67/1409163467.db2.gz UJSDGERBVPIIMU-KRWDZBQOSA-N 1 1 378.476 3.295 20 30 GGEDMO N#CCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000067925890 1409256825 /nfs/dbraw/zinc/25/68/25/1409256825.db2.gz OMFJOTJETOPFAZ-LJQANCHMSA-N 1 1 381.451 3.256 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC([C@@H](O)c4ccccc4)CC3)C2=O)cc1 ZINC000067962460 1409264725 /nfs/dbraw/zinc/26/47/25/1409264725.db2.gz GWVKPGQNGPAYMM-VXKWHMMOSA-N 1 1 375.472 3.109 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC([C@H](O)c4ccccc4)CC3)C2=O)cc1 ZINC000067962461 1409264810 /nfs/dbraw/zinc/26/48/10/1409264810.db2.gz GWVKPGQNGPAYMM-FCHUYYIVSA-N 1 1 375.472 3.109 20 30 GGEDMO N#CCc1cccc(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000068124679 1409308693 /nfs/dbraw/zinc/30/86/93/1409308693.db2.gz UQNIXDZGBJYGCY-UHFFFAOYSA-N 1 1 396.922 3.348 20 30 GGEDMO COc1cccc(C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]2CCCO2)c1 ZINC000068254298 1409340571 /nfs/dbraw/zinc/34/05/71/1409340571.db2.gz LNFAJDXQRQLEPR-OAQYLSRUSA-N 1 1 399.535 3.361 20 30 GGEDMO COc1cccc(C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]2CCCO2)c1 ZINC000068254298 1409340576 /nfs/dbraw/zinc/34/05/76/1409340576.db2.gz LNFAJDXQRQLEPR-OAQYLSRUSA-N 1 1 399.535 3.361 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000068254976 1409341345 /nfs/dbraw/zinc/34/13/45/1409341345.db2.gz KDIYQYKTEMETFO-SFHVURJKSA-N 1 1 397.548 3.299 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000068254976 1409341351 /nfs/dbraw/zinc/34/13/51/1409341351.db2.gz KDIYQYKTEMETFO-SFHVURJKSA-N 1 1 397.548 3.299 20 30 GGEDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ncccc3OCCCC#N)CC2)cs1 ZINC000068349183 1409375173 /nfs/dbraw/zinc/37/51/73/1409375173.db2.gz AIRNVWULAKKZPF-UHFFFAOYSA-N 1 1 399.520 3.380 20 30 GGEDMO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)NC3(C#N)CC[NH+](C)CC3)c12 ZINC000068432304 1409401412 /nfs/dbraw/zinc/40/14/12/1409401412.db2.gz NHCXDSFLAMPJJZ-UHFFFAOYSA-N 1 1 389.459 3.224 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000068857517 1409508429 /nfs/dbraw/zinc/50/84/29/1409508429.db2.gz XGPIHKINSIFBLS-FQEVSTJZSA-N 1 1 377.444 3.095 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000068857517 1409508433 /nfs/dbraw/zinc/50/84/33/1409508433.db2.gz XGPIHKINSIFBLS-FQEVSTJZSA-N 1 1 377.444 3.095 20 30 GGEDMO CCCN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CCCCC#N ZINC000068908691 1409522137 /nfs/dbraw/zinc/52/21/37/1409522137.db2.gz JUCVTSCVECAFGU-HXUWFJFHSA-N 1 1 377.554 3.387 20 30 GGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016592 1409544145 /nfs/dbraw/zinc/54/41/45/1409544145.db2.gz ZRPZNVXLXRRLOJ-IBGZPJMESA-N 1 1 384.524 3.029 20 30 GGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016430 1409544169 /nfs/dbraw/zinc/54/41/69/1409544169.db2.gz HKUQJPMWZUGSCW-VQTJNVASSA-N 1 1 398.551 3.418 20 30 GGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016594 1409544371 /nfs/dbraw/zinc/54/43/71/1409544371.db2.gz ZRPZNVXLXRRLOJ-LJQANCHMSA-N 1 1 384.524 3.029 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000069071877 1409556555 /nfs/dbraw/zinc/55/65/55/1409556555.db2.gz PHEZXTZYFNSSKD-NRFANRHFSA-N 1 1 392.503 3.034 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(C#N)c2)C(C)C)cc1 ZINC000069070988 1409556663 /nfs/dbraw/zinc/55/66/63/1409556663.db2.gz DAWQPRHFCQGASF-OAQYLSRUSA-N 1 1 381.476 3.167 20 30 GGEDMO C=C(Br)CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000069118125 1409571069 /nfs/dbraw/zinc/57/10/69/1409571069.db2.gz LKTSRIPQOXZRFV-UHFFFAOYSA-N 1 1 388.256 3.137 20 30 GGEDMO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CCCC1 ZINC000069227515 1409590478 /nfs/dbraw/zinc/59/04/78/1409590478.db2.gz PTQLLRFXLYXCJX-SFHVURJKSA-N 1 1 398.551 3.478 20 30 GGEDMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000069247235 1409592190 /nfs/dbraw/zinc/59/21/90/1409592190.db2.gz HZTRJGCRXURXHM-UHFFFAOYSA-N 1 1 394.475 3.136 20 30 GGEDMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000069520365 1409647715 /nfs/dbraw/zinc/64/77/15/1409647715.db2.gz QDTKMJVCVWUZCW-UHFFFAOYSA-N 1 1 379.460 3.218 20 30 GGEDMO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000069520365 1409647721 /nfs/dbraw/zinc/64/77/21/1409647721.db2.gz QDTKMJVCVWUZCW-UHFFFAOYSA-N 1 1 379.460 3.218 20 30 GGEDMO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000069729956 1409685459 /nfs/dbraw/zinc/68/54/59/1409685459.db2.gz RIDAWEWXONQQPM-IBGZPJMESA-N 1 1 386.883 3.344 20 30 GGEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1CS(C)(=O)=O)C(C)C ZINC000069822184 1409708995 /nfs/dbraw/zinc/70/89/95/1409708995.db2.gz FGPGPTWCSFTSEJ-LJQANCHMSA-N 1 1 393.553 3.051 20 30 GGEDMO N#CCOc1ccc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000069828939 1409711552 /nfs/dbraw/zinc/71/15/52/1409711552.db2.gz RDFAHWDPFMQOEI-UHFFFAOYSA-N 1 1 384.524 3.387 20 30 GGEDMO COC(=O)[C@@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000176715454 1428429771 /nfs/dbraw/zinc/42/97/71/1428429771.db2.gz WGAWIHKOJGGLAG-NRFANRHFSA-N 1 1 377.488 3.199 20 30 GGEDMO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000176720003 1428432612 /nfs/dbraw/zinc/43/26/12/1428432612.db2.gz NICMVURXOXDDPF-LJQANCHMSA-N 1 1 382.533 3.357 20 30 GGEDMO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[NH+](C)C)cc1 ZINC000071906038 1409829692 /nfs/dbraw/zinc/82/96/92/1409829692.db2.gz STGMBSXFFKMQRO-LJQANCHMSA-N 1 1 391.924 3.355 20 30 GGEDMO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(c3ccccc3C#N)CC2)c1C ZINC000072073573 1409845377 /nfs/dbraw/zinc/84/53/77/1409845377.db2.gz YQXYFJBEKPRSEM-NRFANRHFSA-N 1 1 379.504 3.045 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)cc1 ZINC000072074061 1409845846 /nfs/dbraw/zinc/84/58/46/1409845846.db2.gz YATNBLMKOIUEQI-FQEVSTJZSA-N 1 1 383.517 3.057 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868702 1409854372 /nfs/dbraw/zinc/85/43/72/1409854372.db2.gz FSPGJXURIBWFTK-ICSRJNTNSA-N 1 1 376.504 3.339 20 30 GGEDMO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000072868889 1409854444 /nfs/dbraw/zinc/85/44/44/1409854444.db2.gz MSHOCPZUWRNJAJ-OAQYLSRUSA-N 1 1 376.504 3.341 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000072868889 1409854445 /nfs/dbraw/zinc/85/44/45/1409854445.db2.gz MSHOCPZUWRNJAJ-OAQYLSRUSA-N 1 1 376.504 3.341 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000072895760 1409855040 /nfs/dbraw/zinc/85/50/40/1409855040.db2.gz VWLZVPWFZMXISU-UXHICEINSA-N 1 1 382.552 3.314 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNc1ccc(C#N)cc1 ZINC000075323706 1409881441 /nfs/dbraw/zinc/88/14/41/1409881441.db2.gz FOPPFMLPFZETJX-OAQYLSRUSA-N 1 1 376.504 3.341 20 30 GGEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000081632698 1410023453 /nfs/dbraw/zinc/02/34/53/1410023453.db2.gz FGQNPJNYJASIIC-IBGZPJMESA-N 1 1 378.520 3.401 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C1CCC(CO)CC1 ZINC000089923872 1410059534 /nfs/dbraw/zinc/05/95/34/1410059534.db2.gz DQJWFIPMEYQHBE-GTPINHCMSA-N 1 1 375.538 3.360 20 30 GGEDMO CCOc1ccc(C2=CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000091813462 1410083669 /nfs/dbraw/zinc/08/36/69/1410083669.db2.gz HSXOQGFSMYMPMR-OAQYLSRUSA-N 1 1 378.472 3.486 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000091936542 1410094382 /nfs/dbraw/zinc/09/43/82/1410094382.db2.gz ZILXBCUXISSQSU-SFHVURJKSA-N 1 1 376.508 3.049 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000091936542 1410094392 /nfs/dbraw/zinc/09/43/92/1410094392.db2.gz ZILXBCUXISSQSU-SFHVURJKSA-N 1 1 376.508 3.049 20 30 GGEDMO N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)nc1 ZINC000092035157 1410099893 /nfs/dbraw/zinc/09/98/93/1410099893.db2.gz BNVLTMRTRXULKX-JSOIOWGOSA-N 1 1 396.535 3.414 20 30 GGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000092149259 1410112833 /nfs/dbraw/zinc/11/28/33/1410112833.db2.gz CPOFWCHMQXKPNK-UHFFFAOYSA-N 1 1 382.533 3.446 20 30 GGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H](N4CCNC4=O)C3)c2)c1 ZINC000092189021 1410118551 /nfs/dbraw/zinc/11/85/51/1410118551.db2.gz VLPWDURUEAUKNE-OAQYLSRUSA-N 1 1 390.487 3.127 20 30 GGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092195197 1410119980 /nfs/dbraw/zinc/11/99/80/1410119980.db2.gz QBNQQCPCNQPJMS-QREPNTDJSA-N 1 1 399.539 3.063 20 30 GGEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000092218414 1410121077 /nfs/dbraw/zinc/12/10/77/1410121077.db2.gz RJORTNQFJOTDJE-QHCPKHFHSA-N 1 1 391.515 3.434 20 30 GGEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092407978 1410154530 /nfs/dbraw/zinc/15/45/30/1410154530.db2.gz ZMUANNUOSYSZJF-XEVCZEQESA-N 1 1 399.539 3.017 20 30 GGEDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)[C@H](C)C2)cc1 ZINC000092659814 1410183737 /nfs/dbraw/zinc/18/37/37/1410183737.db2.gz SNMCSUNXTDWDSI-MSOLQXFVSA-N 1 1 393.487 3.475 20 30 GGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000092668972 1410187148 /nfs/dbraw/zinc/18/71/48/1410187148.db2.gz VZNJXMBEXJNCIG-GOSISDBHSA-N 1 1 381.549 3.049 20 30 GGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000092668972 1410187154 /nfs/dbraw/zinc/18/71/54/1410187154.db2.gz VZNJXMBEXJNCIG-GOSISDBHSA-N 1 1 381.549 3.049 20 30 GGEDMO N#CCN1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000092936385 1410209734 /nfs/dbraw/zinc/20/97/34/1410209734.db2.gz AICGQKQPRPSBFL-UHFFFAOYSA-N 1 1 375.451 3.320 20 30 GGEDMO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4cc(C#N)cs4)CC3)cc2NC1=O ZINC000093008026 1410215472 /nfs/dbraw/zinc/21/54/72/1410215472.db2.gz LEXARZNLSQLNQA-ZDUSSCGKSA-N 1 1 395.484 3.434 20 30 GGEDMO C[C@H](C#N)Oc1ccc(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000093104921 1410222243 /nfs/dbraw/zinc/22/22/43/1410222243.db2.gz AUMDFVQMCVAZLI-OAQYLSRUSA-N 1 1 392.547 3.227 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1OCCCC#N ZINC000093134438 1410224713 /nfs/dbraw/zinc/22/47/13/1410224713.db2.gz FZHGZGRJIHXFAJ-GOSISDBHSA-N 1 1 395.507 3.295 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2cc(C#N)cs2)C(C)C)cc1 ZINC000093149187 1410226363 /nfs/dbraw/zinc/22/63/63/1410226363.db2.gz MJAPAXPISNSMFO-GOSISDBHSA-N 1 1 387.505 3.228 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CC(C)(C)CCC#N)C(C)C)cc1 ZINC000093149240 1410226568 /nfs/dbraw/zinc/22/65/68/1410226568.db2.gz KTAALXDEBZBJDX-IBGZPJMESA-N 1 1 375.513 3.425 20 30 GGEDMO COCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000093358328 1410237213 /nfs/dbraw/zinc/23/72/13/1410237213.db2.gz URQNUNLRJCCNQS-UHFFFAOYSA-N 1 1 381.476 3.414 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000093563531 1410253988 /nfs/dbraw/zinc/25/39/88/1410253988.db2.gz ADJSIQMRJHLHNI-FQEVSTJZSA-N 1 1 378.520 3.231 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CN(C)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000093563531 1410253993 /nfs/dbraw/zinc/25/39/93/1410253993.db2.gz ADJSIQMRJHLHNI-FQEVSTJZSA-N 1 1 378.520 3.231 20 30 GGEDMO C[C@H]1CN=C(N2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)S1 ZINC000093662891 1410257454 /nfs/dbraw/zinc/25/74/54/1410257454.db2.gz NTWCWQHQKVTKQY-KRWDZBQOSA-N 1 1 394.548 3.073 20 30 GGEDMO C=C(C)COc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1OC ZINC000093647161 1410257866 /nfs/dbraw/zinc/25/78/66/1410257866.db2.gz RJGCDDSHPIKRHO-XLIONFOSSA-N 1 1 381.538 3.438 20 30 GGEDMO C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1OC ZINC000093647161 1410257868 /nfs/dbraw/zinc/25/78/68/1410257868.db2.gz RJGCDDSHPIKRHO-XLIONFOSSA-N 1 1 381.538 3.438 20 30 GGEDMO C=C(C)COc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1OC ZINC000093647162 1410257991 /nfs/dbraw/zinc/25/79/91/1410257991.db2.gz RJGCDDSHPIKRHO-PXNSSMCTSA-N 1 1 381.538 3.438 20 30 GGEDMO C=C(C)COc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1OC ZINC000093647162 1410257996 /nfs/dbraw/zinc/25/79/96/1410257996.db2.gz RJGCDDSHPIKRHO-PXNSSMCTSA-N 1 1 381.538 3.438 20 30 GGEDMO COc1cc(CN2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cc(OC)c1 ZINC000093841054 1410274026 /nfs/dbraw/zinc/27/40/26/1410274026.db2.gz CWUKQQHYWHFJHX-SFHVURJKSA-N 1 1 395.503 3.312 20 30 GGEDMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000093871596 1410277769 /nfs/dbraw/zinc/27/77/69/1410277769.db2.gz DWDGDZQKXHLPIQ-UHFFFAOYSA-N 1 1 384.553 3.163 20 30 GGEDMO N#Cc1ccc(OCCC[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000097473969 1410370526 /nfs/dbraw/zinc/37/05/26/1410370526.db2.gz ZDPLNYJBDZBXLP-UHFFFAOYSA-N 1 1 381.451 3.314 20 30 GGEDMO C=CCc1cc(OCC)cc(C[N@H+](CCCC)[C@H]2CCS(=O)(=O)C2)c1O ZINC000098051295 1410402864 /nfs/dbraw/zinc/40/28/64/1410402864.db2.gz ZNLRJNRDXDDRCW-SFHVURJKSA-N 1 1 381.538 3.309 20 30 GGEDMO CC(=O)Nc1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000101549031 1410459309 /nfs/dbraw/zinc/45/93/09/1410459309.db2.gz QIWLSEMTSINYAS-UHFFFAOYSA-N 1 1 385.471 3.387 20 30 GGEDMO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566692 1410466236 /nfs/dbraw/zinc/46/62/36/1410466236.db2.gz QMGDILIULKTGIT-HSZRJFAPSA-N 1 1 398.551 3.058 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)cc1 ZINC000101563017 1410466338 /nfs/dbraw/zinc/46/63/38/1410466338.db2.gz NISYBHLGARLXCB-FQEVSTJZSA-N 1 1 383.517 3.057 20 30 GGEDMO C[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101669008 1410488397 /nfs/dbraw/zinc/48/83/97/1410488397.db2.gz HQWUOULFYQHYLO-KSZLIROESA-N 1 1 391.519 3.016 20 30 GGEDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000101690485 1410491100 /nfs/dbraw/zinc/49/11/00/1410491100.db2.gz LJOKHARGLBFJOM-LJQANCHMSA-N 1 1 390.531 3.229 20 30 GGEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cc1OC ZINC000101908356 1410516862 /nfs/dbraw/zinc/51/68/62/1410516862.db2.gz DCDUTKWBOUWNHE-XXBNENTESA-N 1 1 399.535 3.299 20 30 GGEDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000101910645 1410517892 /nfs/dbraw/zinc/51/78/92/1410517892.db2.gz BKXWMDCCJIWSGX-GOSISDBHSA-N 1 1 394.519 3.222 20 30 GGEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000101910645 1410517899 /nfs/dbraw/zinc/51/78/99/1410517899.db2.gz BKXWMDCCJIWSGX-GOSISDBHSA-N 1 1 394.519 3.222 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000101913053 1410519158 /nfs/dbraw/zinc/51/91/58/1410519158.db2.gz SDSQMOAHPMYSCL-VQTJNVASSA-N 1 1 398.551 3.259 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102400836 1410621385 /nfs/dbraw/zinc/62/13/85/1410621385.db2.gz QUSQQZOYVLDRAL-WBVHZDCISA-N 1 1 399.470 3.063 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102400836 1410621396 /nfs/dbraw/zinc/62/13/96/1410621396.db2.gz QUSQQZOYVLDRAL-WBVHZDCISA-N 1 1 399.470 3.063 20 30 GGEDMO COc1cccc(C([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2cccc(OC)c2)c1 ZINC000176866566 1428505546 /nfs/dbraw/zinc/50/55/46/1428505546.db2.gz HDPNZWSVYXZFDD-QHCPKHFHSA-N 1 1 393.487 3.191 20 30 GGEDMO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccco1 ZINC000102783122 1410753355 /nfs/dbraw/zinc/75/33/55/1410753355.db2.gz ARQVXAORRUMUPP-GOSISDBHSA-N 1 1 379.416 3.356 20 30 GGEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H](C)O1 ZINC000102802695 1410768012 /nfs/dbraw/zinc/76/80/12/1410768012.db2.gz BSFAYCLLFYDCOJ-STQMWFEESA-N 1 1 396.438 3.169 20 30 GGEDMO N#Cc1ccc(OC(F)F)c(NC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000102802588 1410768154 /nfs/dbraw/zinc/76/81/54/1410768154.db2.gz LTIXVXDFRNLDQA-UHFFFAOYSA-N 1 1 386.402 3.339 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(F)c(C#N)c3)c2)CCO1 ZINC000102955809 1410812017 /nfs/dbraw/zinc/81/20/17/1410812017.db2.gz PKALVRVWQPBLEM-OAHLLOKOSA-N 1 1 382.439 3.240 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(F)c(C#N)c3)c2)CCO1 ZINC000102955809 1410812018 /nfs/dbraw/zinc/81/20/18/1410812018.db2.gz PKALVRVWQPBLEM-OAHLLOKOSA-N 1 1 382.439 3.240 20 30 GGEDMO CC(C)COc1ncccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000103065676 1410824163 /nfs/dbraw/zinc/82/41/63/1410824163.db2.gz ZZYDINHSFZSQPC-UHFFFAOYSA-N 1 1 392.503 3.336 20 30 GGEDMO CC(C)COc1ncccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000103065676 1410824166 /nfs/dbraw/zinc/82/41/66/1410824166.db2.gz ZZYDINHSFZSQPC-UHFFFAOYSA-N 1 1 392.503 3.336 20 30 GGEDMO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103185055 1410835345 /nfs/dbraw/zinc/83/53/45/1410835345.db2.gz UKAWOZUCQIHBRT-QFIPXVFZSA-N 1 1 376.504 3.264 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)n1 ZINC000103469399 1410861042 /nfs/dbraw/zinc/86/10/42/1410861042.db2.gz OWBWMUNYUHTMSJ-MRXNPFEDSA-N 1 1 377.448 3.309 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)n1 ZINC000103469399 1410861045 /nfs/dbraw/zinc/86/10/45/1410861045.db2.gz OWBWMUNYUHTMSJ-MRXNPFEDSA-N 1 1 377.448 3.309 20 30 GGEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000103474962 1410861607 /nfs/dbraw/zinc/86/16/07/1410861607.db2.gz UVZPRKSPHVBCPL-NRFANRHFSA-N 1 1 390.487 3.253 20 30 GGEDMO CCN1CCN(CC[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000104168491 1410886160 /nfs/dbraw/zinc/88/61/60/1410886160.db2.gz ZXWCOZZKWGCWRK-UHFFFAOYSA-N 1 1 379.552 3.190 20 30 GGEDMO CC(C)(CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCc2ccccc2C1 ZINC000104167194 1410886316 /nfs/dbraw/zinc/88/63/16/1410886316.db2.gz JSUDZKHOKITGEU-UHFFFAOYSA-N 1 1 394.519 3.411 20 30 GGEDMO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000104167022 1410886372 /nfs/dbraw/zinc/88/63/72/1410886372.db2.gz AJERWZKYZLSWKW-IBGZPJMESA-N 1 1 384.524 3.384 20 30 GGEDMO CCOc1cccc(CNC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104712430 1410935357 /nfs/dbraw/zinc/93/53/57/1410935357.db2.gz MFABJBPYCOPYGG-UHFFFAOYSA-N 1 1 393.487 3.117 20 30 GGEDMO C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713233 1410937016 /nfs/dbraw/zinc/93/70/16/1410937016.db2.gz NDJVQRMBLLAKQB-INIZCTEOSA-N 1 1 381.451 3.245 20 30 GGEDMO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714128 1410937348 /nfs/dbraw/zinc/93/73/48/1410937348.db2.gz XJTYNGSHJRDEOS-MRXNPFEDSA-N 1 1 381.451 3.245 20 30 GGEDMO CN(Cc1ccccc1F)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714624 1410937538 /nfs/dbraw/zinc/93/75/38/1410937538.db2.gz UREZNUVNMMUPQX-UHFFFAOYSA-N 1 1 381.451 3.199 20 30 GGEDMO C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714123 1410938472 /nfs/dbraw/zinc/93/84/72/1410938472.db2.gz XJTYNGSHJRDEOS-INIZCTEOSA-N 1 1 381.451 3.245 20 30 GGEDMO COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104713247 1410938508 /nfs/dbraw/zinc/93/85/08/1410938508.db2.gz ORUNIBUDQWURCI-QGZVFWFLSA-N 1 1 393.487 3.115 20 30 GGEDMO Cc1ccc(CNC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1F ZINC000104713697 1410939000 /nfs/dbraw/zinc/93/90/00/1410939000.db2.gz JYKBFKHHTQOTEN-UHFFFAOYSA-N 1 1 381.451 3.165 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+]([C@H](C(=O)NC3CC3)c3ccccc3)CC2)c1 ZINC000104714607 1410939228 /nfs/dbraw/zinc/93/92/28/1410939228.db2.gz IJZFUVSBMGRYLV-QFIPXVFZSA-N 1 1 375.472 3.421 20 30 GGEDMO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715447 1410940205 /nfs/dbraw/zinc/94/02/05/1410940205.db2.gz LNFJVJHHZAJKNX-QGZVFWFLSA-N 1 1 375.472 3.379 20 30 GGEDMO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715185 1410940947 /nfs/dbraw/zinc/94/09/47/1410940947.db2.gz YZNVVHSCEQLZIE-KRWDZBQOSA-N 1 1 375.472 3.379 20 30 GGEDMO COc1ccccc1CN(C)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715908 1410941377 /nfs/dbraw/zinc/94/13/77/1410941377.db2.gz MGBVKMYCNCRCGN-UHFFFAOYSA-N 1 1 393.487 3.069 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC000104727924 1410948047 /nfs/dbraw/zinc/94/80/47/1410948047.db2.gz OPXAKVUIWNGFAX-LJQANCHMSA-N 1 1 396.535 3.025 20 30 GGEDMO C=CCc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c(OC)c1 ZINC000104785839 1410963168 /nfs/dbraw/zinc/96/31/68/1410963168.db2.gz XLDKRQZHALILDR-UHFFFAOYSA-N 1 1 394.515 3.455 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cc(F)ccc3F)CC2)cc1 ZINC000104805218 1410967330 /nfs/dbraw/zinc/96/73/30/1410967330.db2.gz WABUDMDHLKCQNC-UHFFFAOYSA-N 1 1 384.430 3.254 20 30 GGEDMO COCC[N@@H+](C)CCCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000105040076 1411019937 /nfs/dbraw/zinc/01/99/37/1411019937.db2.gz DRSMMXXGCWNBCZ-UHFFFAOYSA-N 1 1 382.464 3.440 20 30 GGEDMO C=CCc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC000105211255 1411042494 /nfs/dbraw/zinc/04/24/94/1411042494.db2.gz XBGHRUPSDZTFKM-QGZVFWFLSA-N 1 1 389.540 3.352 20 30 GGEDMO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000106261590 1411185557 /nfs/dbraw/zinc/18/55/57/1411185557.db2.gz VRHUWZLYOAYIER-UHFFFAOYSA-N 1 1 388.531 3.130 20 30 GGEDMO CCN1CC[NH+]([C@@H]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C2)CC1 ZINC000106479608 1411223996 /nfs/dbraw/zinc/22/39/96/1411223996.db2.gz IEXXSVCLNAEXCF-OAHLLOKOSA-N 1 1 387.890 3.115 20 30 GGEDMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000177033393 1428562072 /nfs/dbraw/zinc/56/20/72/1428562072.db2.gz KFHOJYUTDDHVOX-KRWDZBQOSA-N 1 1 376.932 3.250 20 30 GGEDMO CN(CC[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccccc1 ZINC000107682497 1411397875 /nfs/dbraw/zinc/39/78/75/1411397875.db2.gz BCLSVFBERHOQET-LJQANCHMSA-N 1 1 385.471 3.292 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCOC2)c1C#N ZINC000107692825 1411398424 /nfs/dbraw/zinc/39/84/24/1411398424.db2.gz SHWVNMVPUXBRFT-HXUWFJFHSA-N 1 1 394.519 3.322 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCOC2)c1C#N ZINC000107690128 1411398650 /nfs/dbraw/zinc/39/86/50/1411398650.db2.gz VSODESFPYIUTOY-QGZVFWFLSA-N 1 1 398.482 3.402 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCOC2)c1C#N ZINC000107693975 1411398754 /nfs/dbraw/zinc/39/87/54/1411398754.db2.gz YVLXHHKEUNNMLC-QGZVFWFLSA-N 1 1 398.482 3.402 20 30 GGEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cc(C#N)cs3)CC2)c1C ZINC000177043067 1428565603 /nfs/dbraw/zinc/56/56/03/1428565603.db2.gz SVEMKPUQYMBPIR-UHFFFAOYSA-N 1 1 398.532 3.377 20 30 GGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000177048686 1428567965 /nfs/dbraw/zinc/56/79/65/1428567965.db2.gz VASJVLKUENQRCW-VGOFRKELSA-N 1 1 393.487 3.160 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC([C@H](O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000108386690 1411485233 /nfs/dbraw/zinc/48/52/33/1411485233.db2.gz BLKVYKNGUBWBTF-FGZHOGPDSA-N 1 1 393.462 3.248 20 30 GGEDMO CN(C(=O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)C1(C#N)CCCCC1 ZINC000108386885 1411485677 /nfs/dbraw/zinc/48/56/77/1411485677.db2.gz XOWFOVXREZSTFS-NRFANRHFSA-N 1 1 387.499 3.256 20 30 GGEDMO CCCO[C@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000108395291 1411490096 /nfs/dbraw/zinc/49/00/96/1411490096.db2.gz DBNTUMPFEAMNAC-IBGZPJMESA-N 1 1 396.453 3.454 20 30 GGEDMO C=CC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(OC)cc1 ZINC000108406849 1411492380 /nfs/dbraw/zinc/49/23/80/1411492380.db2.gz MUWKNNPUJKSYRF-UHFFFAOYSA-N 1 1 381.476 3.099 20 30 GGEDMO C=CCOc1cccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108421121 1411498242 /nfs/dbraw/zinc/49/82/42/1411498242.db2.gz DFNAXHJSASJAAG-JOCHJYFZSA-N 1 1 393.531 3.239 20 30 GGEDMO C=CCOc1cccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108421121 1411498251 /nfs/dbraw/zinc/49/82/51/1411498251.db2.gz DFNAXHJSASJAAG-JOCHJYFZSA-N 1 1 393.531 3.239 20 30 GGEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000108506422 1411523359 /nfs/dbraw/zinc/52/33/59/1411523359.db2.gz IQZXCLDYOMKFDK-QGZVFWFLSA-N 1 1 391.475 3.274 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000108508268 1411524377 /nfs/dbraw/zinc/52/43/77/1411524377.db2.gz GDNIVEXKVXYDSZ-HXUWFJFHSA-N 1 1 382.508 3.107 20 30 GGEDMO C#CCOc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000108521732 1411528420 /nfs/dbraw/zinc/52/84/20/1411528420.db2.gz CUMKGYJEZUDKPR-HXUWFJFHSA-N 1 1 377.488 3.385 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000108530439 1411531789 /nfs/dbraw/zinc/53/17/89/1411531789.db2.gz LYZKJZFPJXNPQO-MRXNPFEDSA-N 1 1 389.569 3.086 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108605208 1411549555 /nfs/dbraw/zinc/54/95/55/1411549555.db2.gz NVGSLOZMVGAMOC-MRXNPFEDSA-N 1 1 388.537 3.012 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C[N@H+]1C1CC1 ZINC000177069922 1428576582 /nfs/dbraw/zinc/57/65/82/1428576582.db2.gz YZVWROGUSYPXJU-JXFKEZNVSA-N 1 1 375.472 3.492 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[N@H+]1C1CC1 ZINC000177076244 1428579615 /nfs/dbraw/zinc/57/96/15/1428579615.db2.gz BSIHSUPWMLTYFQ-UZLBHIALSA-N 1 1 375.472 3.492 20 30 GGEDMO CCN1CC[NH+](CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000109020805 1411662293 /nfs/dbraw/zinc/66/22/93/1411662293.db2.gz CNXYRCRISSZVSV-UHFFFAOYSA-N 1 1 378.476 3.317 20 30 GGEDMO N#CC1(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCOCC1 ZINC000109138082 1411692041 /nfs/dbraw/zinc/69/20/41/1411692041.db2.gz XRWCSVJHLWJOJJ-UHFFFAOYSA-N 1 1 389.499 3.241 20 30 GGEDMO C=CC[N@@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)CCc1ccccc1 ZINC000109356639 1411747117 /nfs/dbraw/zinc/74/71/17/1411747117.db2.gz RAJIMLLWCFXAIH-UHFFFAOYSA-N 1 1 388.533 3.046 20 30 GGEDMO COc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000109356978 1411747399 /nfs/dbraw/zinc/74/73/99/1411747399.db2.gz AUSBCTUTWFPBPA-MRXNPFEDSA-N 1 1 389.459 3.384 20 30 GGEDMO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000109356978 1411747407 /nfs/dbraw/zinc/74/74/07/1411747407.db2.gz AUSBCTUTWFPBPA-MRXNPFEDSA-N 1 1 389.459 3.384 20 30 GGEDMO CC[NH+](CC)CCn1ccc2cc(NS(=O)(=O)c3ccc(C#N)nc3)ccc21 ZINC000109426261 1411760692 /nfs/dbraw/zinc/76/06/92/1411760692.db2.gz ZEOICYAECOLJQQ-UHFFFAOYSA-N 1 1 397.504 3.051 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(Cc3coc(-c4ccc(OC)cc4)n3)no2)CC1 ZINC000109503579 1411774923 /nfs/dbraw/zinc/77/49/23/1411774923.db2.gz IJJXMDIZBVYNDA-UHFFFAOYSA-N 1 1 378.432 3.137 20 30 GGEDMO COc1cccc(NC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000110036484 1411826904 /nfs/dbraw/zinc/82/69/04/1411826904.db2.gz KUMGYVXLDKXBNL-QGZVFWFLSA-N 1 1 384.524 3.303 20 30 GGEDMO CC(C)(CNC(=O)Cc1ccc(OCC#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000110204883 1411837755 /nfs/dbraw/zinc/83/77/55/1411837755.db2.gz UWWODTSKWZAAPZ-UHFFFAOYSA-N 1 1 377.488 3.085 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccc(OCC#N)cc2)cc1F ZINC000110248615 1411840046 /nfs/dbraw/zinc/84/00/46/1411840046.db2.gz LILIHSMTNCBULH-UHFFFAOYSA-N 1 1 378.407 3.081 20 30 GGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1C#N ZINC000110627876 1411861154 /nfs/dbraw/zinc/86/11/54/1411861154.db2.gz RKKGDQGBEBWDDC-QGZVFWFLSA-N 1 1 399.539 3.008 20 30 GGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1C#N ZINC000110627876 1411861156 /nfs/dbraw/zinc/86/11/56/1411861156.db2.gz RKKGDQGBEBWDDC-QGZVFWFLSA-N 1 1 399.539 3.008 20 30 GGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000110975275 1411880214 /nfs/dbraw/zinc/88/02/14/1411880214.db2.gz QVIFCEGTJHCXFG-AWEZNQCLSA-N 1 1 390.915 3.167 20 30 GGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)CNc3ccc(C#N)cc3)CC2)cs1 ZINC000111043493 1411883720 /nfs/dbraw/zinc/88/37/20/1411883720.db2.gz CDSXAPIWXUMMFB-UHFFFAOYSA-N 1 1 397.548 3.017 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)CSc3ccc(C#N)cc3)CC2)oc1C ZINC000111154069 1411891749 /nfs/dbraw/zinc/89/17/49/1411891749.db2.gz YLDHJCJNKUXRMS-UHFFFAOYSA-N 1 1 398.532 3.284 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000111261238 1411898264 /nfs/dbraw/zinc/89/82/64/1411898264.db2.gz OCJIBWMEZHQRCN-JOCHJYFZSA-N 1 1 380.488 3.227 20 30 GGEDMO C[NH+]1CCN(CCCCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000111718016 1412016078 /nfs/dbraw/zinc/01/60/78/1412016078.db2.gz GEUYLTRAUBJKDE-UHFFFAOYSA-N 1 1 390.531 3.236 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111886083 1412043901 /nfs/dbraw/zinc/04/39/01/1412043901.db2.gz TXAMNRXDPMJKRK-NSHGMRRFSA-N 1 1 387.524 3.035 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111886083 1412043908 /nfs/dbraw/zinc/04/39/08/1412043908.db2.gz TXAMNRXDPMJKRK-NSHGMRRFSA-N 1 1 387.524 3.035 20 30 GGEDMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1cc(-c2ccco2)on1 ZINC000112081600 1412074294 /nfs/dbraw/zinc/07/42/94/1412074294.db2.gz JUSOPPMEXRRSKO-LBPRGKRZSA-N 1 1 378.429 3.226 20 30 GGEDMO CCOc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000112270927 1412113082 /nfs/dbraw/zinc/11/30/82/1412113082.db2.gz AKDQFZUUGRCCPU-UHFFFAOYSA-N 1 1 398.894 3.353 20 30 GGEDMO CCOc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000112270927 1412113098 /nfs/dbraw/zinc/11/30/98/1412113098.db2.gz AKDQFZUUGRCCPU-UHFFFAOYSA-N 1 1 398.894 3.353 20 30 GGEDMO COCC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 ZINC000112354738 1412134930 /nfs/dbraw/zinc/13/49/30/1412134930.db2.gz LDIPDYKHSNVUGD-UHFFFAOYSA-N 1 1 398.482 3.402 20 30 GGEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000112512501 1412160418 /nfs/dbraw/zinc/16/04/18/1412160418.db2.gz PQILWXWNAAWZRE-SFHVURJKSA-N 1 1 392.503 3.020 20 30 GGEDMO CCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000112523197 1412162342 /nfs/dbraw/zinc/16/23/42/1412162342.db2.gz WIUGVBGLHYXYNL-FYYLOGMGSA-N 1 1 382.552 3.171 20 30 GGEDMO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000112523197 1412162349 /nfs/dbraw/zinc/16/23/49/1412162349.db2.gz WIUGVBGLHYXYNL-FYYLOGMGSA-N 1 1 382.552 3.171 20 30 GGEDMO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000112523197 1412162354 /nfs/dbraw/zinc/16/23/54/1412162354.db2.gz WIUGVBGLHYXYNL-FYYLOGMGSA-N 1 1 382.552 3.171 20 30 GGEDMO CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000112523194 1412162531 /nfs/dbraw/zinc/16/25/31/1412162531.db2.gz WIUGVBGLHYXYNL-GGAORHGYSA-N 1 1 382.552 3.171 20 30 GGEDMO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000112523194 1412162535 /nfs/dbraw/zinc/16/25/35/1412162535.db2.gz WIUGVBGLHYXYNL-GGAORHGYSA-N 1 1 382.552 3.171 20 30 GGEDMO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000112523194 1412162542 /nfs/dbraw/zinc/16/25/42/1412162542.db2.gz WIUGVBGLHYXYNL-GGAORHGYSA-N 1 1 382.552 3.171 20 30 GGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000112543128 1412166206 /nfs/dbraw/zinc/16/62/06/1412166206.db2.gz DHFIPOKYWQKRBC-QHCPKHFHSA-N 1 1 389.499 3.439 20 30 GGEDMO C=CCNC(=O)c1ccc(NCC2CC[NH+](Cc3csc(CC)n3)CC2)nc1 ZINC000112558557 1412168125 /nfs/dbraw/zinc/16/81/25/1412168125.db2.gz VEKKUBUQBRHCLS-UHFFFAOYSA-N 1 1 399.564 3.340 20 30 GGEDMO Cc1cc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n2c3ccccc3nc2c1C#N ZINC000112556891 1412168176 /nfs/dbraw/zinc/16/81/76/1412168176.db2.gz NMVWVMAFCVBJIR-UHFFFAOYSA-N 1 1 399.502 3.113 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000112585940 1412172595 /nfs/dbraw/zinc/17/25/95/1412172595.db2.gz HTQAMGBWGHXBOV-LJQANCHMSA-N 1 1 396.878 3.278 20 30 GGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000112918506 1412240032 /nfs/dbraw/zinc/24/00/32/1412240032.db2.gz GHGSSFCSFSWCLD-UHFFFAOYSA-N 1 1 390.915 3.121 20 30 GGEDMO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000112997138 1412252462 /nfs/dbraw/zinc/25/24/62/1412252462.db2.gz VLBIVXCKRXFBKF-JOCHJYFZSA-N 1 1 395.503 3.224 20 30 GGEDMO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000112997138 1412252473 /nfs/dbraw/zinc/25/24/73/1412252473.db2.gz VLBIVXCKRXFBKF-JOCHJYFZSA-N 1 1 395.503 3.224 20 30 GGEDMO C[C@H]1C[NH+](CCC(=O)Nc2sccc2C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000112997861 1412253524 /nfs/dbraw/zinc/25/35/24/1412253524.db2.gz UOPFTFHBIHVTBO-KBPBESRZSA-N 1 1 392.525 3.278 20 30 GGEDMO COc1ccc([C@H](CO)[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000112997510 1412253626 /nfs/dbraw/zinc/25/36/26/1412253626.db2.gz IHVFGJVEMCZMDC-SFHVURJKSA-N 1 1 399.516 3.111 20 30 GGEDMO C[C@@H]([N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1(C)CC1 ZINC000177221181 1428638565 /nfs/dbraw/zinc/63/85/65/1428638565.db2.gz QXWKZERFCKQAFX-SJORKVTESA-N 1 1 398.551 3.476 20 30 GGEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2nccn2CC(F)(F)F)ccc1OC ZINC000113347722 1412295927 /nfs/dbraw/zinc/29/59/27/1412295927.db2.gz LNJFTBZCXNEIRA-AWEZNQCLSA-N 1 1 382.386 3.425 20 30 GGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1cccc(OCC#N)c1 ZINC000113378173 1412301122 /nfs/dbraw/zinc/30/11/22/1412301122.db2.gz SFNLVTZMSBXDBC-UHFFFAOYSA-N 1 1 380.492 3.429 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cccc(OCC#N)c2)cc1F ZINC000113383022 1412301870 /nfs/dbraw/zinc/30/18/70/1412301870.db2.gz UVINQSCRDWFTAI-UHFFFAOYSA-N 1 1 393.422 3.222 20 30 GGEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)ccc1OC ZINC000113620860 1412322656 /nfs/dbraw/zinc/32/26/56/1412322656.db2.gz RFJBDQNNLNNFSV-ROUUACIJSA-N 1 1 388.512 3.050 20 30 GGEDMO CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)ccc1OC ZINC000113620863 1412322775 /nfs/dbraw/zinc/32/27/75/1412322775.db2.gz RFJBDQNNLNNFSV-ZWKOTPCHSA-N 1 1 388.512 3.050 20 30 GGEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000113919411 1412352523 /nfs/dbraw/zinc/35/25/23/1412352523.db2.gz HGSATOOEMGHZPE-FKPGQJDZSA-N 1 1 387.524 3.118 20 30 GGEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000113919411 1412352531 /nfs/dbraw/zinc/35/25/31/1412352531.db2.gz HGSATOOEMGHZPE-FKPGQJDZSA-N 1 1 387.524 3.118 20 30 GGEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000113971926 1412360505 /nfs/dbraw/zinc/36/05/05/1412360505.db2.gz POSHBDFWOOJBIW-HXUWFJFHSA-N 1 1 380.492 3.299 20 30 GGEDMO Cc1noc(C)c1[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000113978673 1412362560 /nfs/dbraw/zinc/36/25/60/1412362560.db2.gz ITNFQQBWBOMSNV-HNNXBMFYSA-N 1 1 381.480 3.142 20 30 GGEDMO Cc1noc(C)c1[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000113978670 1412362709 /nfs/dbraw/zinc/36/27/09/1412362709.db2.gz ITNFQQBWBOMSNV-OAHLLOKOSA-N 1 1 381.480 3.142 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(OCC#N)c2)C1 ZINC000114028934 1412371534 /nfs/dbraw/zinc/37/15/34/1412371534.db2.gz GHIHVSPDKLOTIK-QUCCMNQESA-N 1 1 384.524 3.385 20 30 GGEDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000114187211 1412390022 /nfs/dbraw/zinc/39/00/22/1412390022.db2.gz QPDIEYSYTYJDTH-UXHICEINSA-N 1 1 398.507 3.182 20 30 GGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000114187211 1412390025 /nfs/dbraw/zinc/39/00/25/1412390025.db2.gz QPDIEYSYTYJDTH-UXHICEINSA-N 1 1 398.507 3.182 20 30 GGEDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000114187206 1412390079 /nfs/dbraw/zinc/39/00/79/1412390079.db2.gz QPDIEYSYTYJDTH-PMACEKPBSA-N 1 1 398.507 3.182 20 30 GGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000114187206 1412390085 /nfs/dbraw/zinc/39/00/85/1412390085.db2.gz QPDIEYSYTYJDTH-PMACEKPBSA-N 1 1 398.507 3.182 20 30 GGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000114187709 1412390100 /nfs/dbraw/zinc/39/01/00/1412390100.db2.gz LKLKZJCDWPBFKS-IAGOWNOFSA-N 1 1 375.538 3.453 20 30 GGEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)[C@H]2CCc3ccccc32)sc2c1CCC2 ZINC000114192542 1412391403 /nfs/dbraw/zinc/39/14/03/1412391403.db2.gz QSJBMPTXAFHSPV-IBGZPJMESA-N 1 1 395.528 3.419 20 30 GGEDMO N#CCCN(C(=O)C[N@H+](CCCO)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000114194052 1412392918 /nfs/dbraw/zinc/39/29/18/1412392918.db2.gz FJWAXEHYZFWQAM-JOCHJYFZSA-N 1 1 377.488 3.305 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@@H+](CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000114206234 1412394237 /nfs/dbraw/zinc/39/42/37/1412394237.db2.gz RVUZEPHYBQHKQA-UHFFFAOYSA-N 1 1 387.487 3.359 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000114206234 1412394242 /nfs/dbraw/zinc/39/42/42/1412394242.db2.gz RVUZEPHYBQHKQA-UHFFFAOYSA-N 1 1 387.487 3.359 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000114206234 1412394249 /nfs/dbraw/zinc/39/42/49/1412394249.db2.gz RVUZEPHYBQHKQA-UHFFFAOYSA-N 1 1 387.487 3.359 20 30 GGEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472643 1412440943 /nfs/dbraw/zinc/44/09/43/1412440943.db2.gz MWRCERNUNLRFDK-IRXDYDNUSA-N 1 1 397.523 3.197 20 30 GGEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCc2ccccc2C1 ZINC000114488841 1412443294 /nfs/dbraw/zinc/44/32/94/1412443294.db2.gz UJIJVVAOKMXIBS-OAQYLSRUSA-N 1 1 385.471 3.172 20 30 GGEDMO CC(C)c1cc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000114536294 1412455498 /nfs/dbraw/zinc/45/54/98/1412455498.db2.gz DSJQRNYAOMHVAR-UHFFFAOYSA-N 1 1 381.480 3.087 20 30 GGEDMO N#CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000114604314 1412473139 /nfs/dbraw/zinc/47/31/39/1412473139.db2.gz DYTBPHWTLHPXFR-KRWDZBQOSA-N 1 1 380.414 3.225 20 30 GGEDMO N#CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000114604316 1412473310 /nfs/dbraw/zinc/47/33/10/1412473310.db2.gz DYTBPHWTLHPXFR-QGZVFWFLSA-N 1 1 380.414 3.225 20 30 GGEDMO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000114689275 1412497449 /nfs/dbraw/zinc/49/74/49/1412497449.db2.gz UZIWSCNCHPYDDI-OAQYLSRUSA-N 1 1 375.472 3.351 20 30 GGEDMO C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000114747414 1412517213 /nfs/dbraw/zinc/51/72/13/1412517213.db2.gz PLQDIPJWUPWUNL-OALUTQOASA-N 1 1 390.531 3.378 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000114810912 1412531607 /nfs/dbraw/zinc/53/16/07/1412531607.db2.gz ABZCLJQIALUQBX-OAQYLSRUSA-N 1 1 392.503 3.389 20 30 GGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000177259084 1428657517 /nfs/dbraw/zinc/65/75/17/1428657517.db2.gz YSGLLCUIEOFAGV-UHFFFAOYSA-N 1 1 381.407 3.277 20 30 GGEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177265236 1428661342 /nfs/dbraw/zinc/66/13/42/1428661342.db2.gz VPHJSCWDHUSLHV-BBRMVZONSA-N 1 1 390.553 3.192 20 30 GGEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177265236 1428661350 /nfs/dbraw/zinc/66/13/50/1428661350.db2.gz VPHJSCWDHUSLHV-BBRMVZONSA-N 1 1 390.553 3.192 20 30 GGEDMO N#Cc1ccc(OCc2cccc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)c2)cc1 ZINC000115341370 1412653343 /nfs/dbraw/zinc/65/33/43/1412653343.db2.gz HZGUZDWHSUUEIK-LJQANCHMSA-N 1 1 375.472 3.351 20 30 GGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000115512111 1412697386 /nfs/dbraw/zinc/69/73/86/1412697386.db2.gz NGQARUJMFKCSLA-UWJYYQICSA-N 1 1 388.471 3.158 20 30 GGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000115512926 1412699294 /nfs/dbraw/zinc/69/92/94/1412699294.db2.gz OMULPKXATVQNSI-DYESRHJHSA-N 1 1 388.471 3.158 20 30 GGEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000115596917 1412725044 /nfs/dbraw/zinc/72/50/44/1412725044.db2.gz KKJGPEPIQQCUIK-KSFYIVLOSA-N 1 1 386.455 3.409 20 30 GGEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115597063 1412725197 /nfs/dbraw/zinc/72/51/97/1412725197.db2.gz DLPUEEGCPQOZAB-JTSKRJEESA-N 1 1 376.504 3.106 20 30 GGEDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000115597638 1412726049 /nfs/dbraw/zinc/72/60/49/1412726049.db2.gz ZZTZMVAJOBWSPL-OPAMFIHVSA-N 1 1 386.455 3.409 20 30 GGEDMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000115596916 1412726113 /nfs/dbraw/zinc/72/61/13/1412726113.db2.gz KKJGPEPIQQCUIK-ZHRRBRCNSA-N 1 1 386.455 3.409 20 30 GGEDMO COc1ccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccc(F)cc2)cc1 ZINC000115886691 1412810093 /nfs/dbraw/zinc/81/00/93/1412810093.db2.gz BIMKDLQNHLQKOC-VXKWHMMOSA-N 1 1 381.451 3.322 20 30 GGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000177303680 1428679114 /nfs/dbraw/zinc/67/91/14/1428679114.db2.gz MKBYPWFDXDMZNW-CVEARBPZSA-N 1 1 386.565 3.386 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCc2ccccc2CC1 ZINC000116300424 1412848104 /nfs/dbraw/zinc/84/81/04/1412848104.db2.gz HZGWLUCRRSQTMH-UHFFFAOYSA-N 1 1 394.519 3.052 20 30 GGEDMO C[NH+](C)CC[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000116439076 1412860695 /nfs/dbraw/zinc/86/06/95/1412860695.db2.gz HPUMSFYBIRIPNC-NRFANRHFSA-N 1 1 399.583 3.142 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000116453166 1412862237 /nfs/dbraw/zinc/86/22/37/1412862237.db2.gz INIHLSNUCMJQDI-HDICACEKSA-N 1 1 377.488 3.026 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000116453166 1412862238 /nfs/dbraw/zinc/86/22/38/1412862238.db2.gz INIHLSNUCMJQDI-HDICACEKSA-N 1 1 377.488 3.026 20 30 GGEDMO N#Cc1ccc(CC(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cc1 ZINC000116464789 1412864570 /nfs/dbraw/zinc/86/45/70/1412864570.db2.gz DOJXTZDWYOAJIN-UHFFFAOYSA-N 1 1 388.471 3.026 20 30 GGEDMO COc1cc(C[N@H+](C)CC(=O)NC(C)C)ccc1OCc1cccc(C#N)c1 ZINC000116876746 1412947374 /nfs/dbraw/zinc/94/73/74/1412947374.db2.gz CIMDYMHSLOBKSU-UHFFFAOYSA-N 1 1 381.476 3.102 20 30 GGEDMO COc1cc(C[N@@H+](C)CC(=O)NC(C)C)ccc1OCc1cccc(C#N)c1 ZINC000116876746 1412947384 /nfs/dbraw/zinc/94/73/84/1412947384.db2.gz CIMDYMHSLOBKSU-UHFFFAOYSA-N 1 1 381.476 3.102 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117350808 1413028311 /nfs/dbraw/zinc/02/83/11/1413028311.db2.gz ZMCGNSONOFDSIC-GFCCVEGCSA-N 1 1 382.304 3.115 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117350808 1413028319 /nfs/dbraw/zinc/02/83/19/1413028319.db2.gz ZMCGNSONOFDSIC-GFCCVEGCSA-N 1 1 382.304 3.115 20 30 GGEDMO CS[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000117507330 1413044248 /nfs/dbraw/zinc/04/42/48/1413044248.db2.gz KBUGIGMHMUSFLK-WOJBJXKFSA-N 1 1 386.565 3.450 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000117892553 1413086734 /nfs/dbraw/zinc/08/67/34/1413086734.db2.gz QBYXZPIALDSSHR-LJQANCHMSA-N 1 1 379.460 3.357 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000117892553 1413086747 /nfs/dbraw/zinc/08/67/47/1413086747.db2.gz QBYXZPIALDSSHR-LJQANCHMSA-N 1 1 379.460 3.357 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000117891477 1413087003 /nfs/dbraw/zinc/08/70/03/1413087003.db2.gz QMCCSQCWVPEHJN-FQEVSTJZSA-N 1 1 379.460 3.357 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000117891477 1413087013 /nfs/dbraw/zinc/08/70/13/1413087013.db2.gz QMCCSQCWVPEHJN-FQEVSTJZSA-N 1 1 379.460 3.357 20 30 GGEDMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)C ZINC000118119948 1413113175 /nfs/dbraw/zinc/11/31/75/1413113175.db2.gz YQTVJOHIXQCZGZ-UHFFFAOYSA-N 1 1 394.475 3.136 20 30 GGEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000118117292 1413113187 /nfs/dbraw/zinc/11/31/87/1413113187.db2.gz XCWYSFBBULAZOR-INIZCTEOSA-N 1 1 394.475 3.136 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000118123779 1413114190 /nfs/dbraw/zinc/11/41/90/1413114190.db2.gz KUVRMAVGIGFWIB-UHFFFAOYSA-N 1 1 394.475 3.054 20 30 GGEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000118125162 1413114265 /nfs/dbraw/zinc/11/42/65/1413114265.db2.gz QELLNJGUICPNHU-JKSUJKDBSA-N 1 1 388.537 3.010 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccccc3OC(F)F)CC2)cc1 ZINC000118307789 1413147194 /nfs/dbraw/zinc/14/71/94/1413147194.db2.gz RLMQSSMZHZPSCM-UHFFFAOYSA-N 1 1 399.441 3.437 20 30 GGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000118391598 1413158246 /nfs/dbraw/zinc/15/82/46/1413158246.db2.gz ZDDAHMNXEVEIAN-INIZCTEOSA-N 1 1 387.480 3.155 20 30 GGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000118391598 1413158249 /nfs/dbraw/zinc/15/82/49/1413158249.db2.gz ZDDAHMNXEVEIAN-INIZCTEOSA-N 1 1 387.480 3.155 20 30 GGEDMO CC[N@H+]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 ZINC000118826827 1413235131 /nfs/dbraw/zinc/23/51/31/1413235131.db2.gz LZFSSEAWLYSPAJ-UHFFFAOYSA-N 1 1 397.498 3.071 20 30 GGEDMO CC[C@H](C)[N@H+](CCOc1ccccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849767 1413244665 /nfs/dbraw/zinc/24/46/65/1413244665.db2.gz DYTJVYQLKWZLOA-INIZCTEOSA-N 1 1 376.460 3.474 20 30 GGEDMO CC[C@H](C)[N@@H+](CCOc1ccccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849767 1413244676 /nfs/dbraw/zinc/24/46/76/1413244676.db2.gz DYTJVYQLKWZLOA-INIZCTEOSA-N 1 1 376.460 3.474 20 30 GGEDMO CC[C@@H](C)[N@H+](CCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849753 1413245481 /nfs/dbraw/zinc/24/54/81/1413245481.db2.gz AWSKDKVUJAQAJZ-MRXNPFEDSA-N 1 1 376.460 3.474 20 30 GGEDMO CC[C@@H](C)[N@@H+](CCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849753 1413245492 /nfs/dbraw/zinc/24/54/92/1413245492.db2.gz AWSKDKVUJAQAJZ-MRXNPFEDSA-N 1 1 376.460 3.474 20 30 GGEDMO CC[C@@H](C)[N@H+](CCOc1ccccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849766 1413245581 /nfs/dbraw/zinc/24/55/81/1413245581.db2.gz DYTJVYQLKWZLOA-MRXNPFEDSA-N 1 1 376.460 3.474 20 30 GGEDMO CC[C@@H](C)[N@@H+](CCOc1ccccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849766 1413245590 /nfs/dbraw/zinc/24/55/90/1413245590.db2.gz DYTJVYQLKWZLOA-MRXNPFEDSA-N 1 1 376.460 3.474 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)c1C#N ZINC000118994869 1413296780 /nfs/dbraw/zinc/29/67/80/1413296780.db2.gz RLJBKXWNCVKYAI-LJQANCHMSA-N 1 1 380.492 3.140 20 30 GGEDMO CCCCn1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000119019044 1413306484 /nfs/dbraw/zinc/30/64/84/1413306484.db2.gz SGHMHIHWPNKHKL-UHFFFAOYSA-N 1 1 379.508 3.211 20 30 GGEDMO CCCCn1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000119019044 1413306495 /nfs/dbraw/zinc/30/64/95/1413306495.db2.gz SGHMHIHWPNKHKL-UHFFFAOYSA-N 1 1 379.508 3.211 20 30 GGEDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000119458742 1413453818 /nfs/dbraw/zinc/45/38/18/1413453818.db2.gz PYFYFZYEYVTERM-INIZCTEOSA-N 1 1 387.505 3.210 20 30 GGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)Cc1cccc(C#N)c1 ZINC000119609739 1413502705 /nfs/dbraw/zinc/50/27/05/1413502705.db2.gz SPWZJDSVSFGGON-CTNGQTDRSA-N 1 1 381.501 3.004 20 30 GGEDMO C=CCCS(=O)(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000119634997 1413510500 /nfs/dbraw/zinc/51/05/00/1413510500.db2.gz JHEDGCPTEDHMIW-UHFFFAOYSA-N 1 1 399.560 3.004 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000119699769 1413537160 /nfs/dbraw/zinc/53/71/60/1413537160.db2.gz AJSKWHUXDWNRPF-UTKZUKDTSA-N 1 1 379.529 3.428 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3=Cc4cc(F)ccc4OC3)CC2)cc1 ZINC000119701701 1413538132 /nfs/dbraw/zinc/53/81/32/1413538132.db2.gz RAGJQIFPLHXKQV-UHFFFAOYSA-N 1 1 391.446 3.208 20 30 GGEDMO C[C@@H]1CN(c2ccc(NC(=O)CO[NH+]=C(N)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000119763747 1413559344 /nfs/dbraw/zinc/55/93/44/1413559344.db2.gz RIIHRENVPRZKOM-IYBDPMFKSA-N 1 1 388.512 3.108 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1C#N ZINC000119953565 1413630008 /nfs/dbraw/zinc/63/00/08/1413630008.db2.gz LHNUATMPHZACPF-QGZVFWFLSA-N 1 1 386.496 3.481 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1C#N ZINC000119953565 1413630015 /nfs/dbraw/zinc/63/00/15/1413630015.db2.gz LHNUATMPHZACPF-QGZVFWFLSA-N 1 1 386.496 3.481 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c1C#N ZINC000119953723 1413630647 /nfs/dbraw/zinc/63/06/47/1413630647.db2.gz LHNUATMPHZACPF-KRWDZBQOSA-N 1 1 386.496 3.481 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)[C@H]2CCSC2)c1C#N ZINC000119953723 1413630657 /nfs/dbraw/zinc/63/06/57/1413630657.db2.gz LHNUATMPHZACPF-KRWDZBQOSA-N 1 1 386.496 3.481 20 30 GGEDMO N#CCOc1cccc(CC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000120007600 1413651076 /nfs/dbraw/zinc/65/10/76/1413651076.db2.gz NISMBTBYBKTQSS-UHFFFAOYSA-N 1 1 399.441 3.190 20 30 GGEDMO N#CCOc1cccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000120025782 1413658139 /nfs/dbraw/zinc/65/81/39/1413658139.db2.gz ORZQVXZQMUFSNC-SFHVURJKSA-N 1 1 383.517 3.221 20 30 GGEDMO N#Cc1ccc(CSc2ccccc2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000120239810 1413746818 /nfs/dbraw/zinc/74/68/18/1413746818.db2.gz VESYPQAVOCAPMQ-UHFFFAOYSA-N 1 1 395.528 3.303 20 30 GGEDMO Cc1c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cnn1-c1cc[nH+]cc1 ZINC000120351000 1413799854 /nfs/dbraw/zinc/79/98/54/1413799854.db2.gz XSMPZRCNBZSETK-UHFFFAOYSA-N 1 1 384.361 3.376 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000120447660 1413820168 /nfs/dbraw/zinc/82/01/68/1413820168.db2.gz AZLBGKXVXIWHGB-UHFFFAOYSA-N 1 1 375.513 3.464 20 30 GGEDMO C#Cc1cccc(NC(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000120507109 1413832869 /nfs/dbraw/zinc/83/28/69/1413832869.db2.gz MIFMHJHCPDKGQC-QGZVFWFLSA-N 1 1 375.472 3.477 20 30 GGEDMO Cn1ccnc1[C@H](O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000120532958 1413837851 /nfs/dbraw/zinc/83/78/51/1413837851.db2.gz XKEFRANTWQSMGM-GOSISDBHSA-N 1 1 393.409 3.116 20 30 GGEDMO CN1CC[NH+](CCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000177479145 1428760211 /nfs/dbraw/zinc/76/02/11/1428760211.db2.gz YHWDMBJHIVKFRU-UHFFFAOYSA-N 1 1 394.544 3.077 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCC2CCOCC2)c1C#N ZINC000120632696 1413861141 /nfs/dbraw/zinc/86/11/41/1413861141.db2.gz LEXYVTCVYBJAED-UHFFFAOYSA-N 1 1 398.507 3.305 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1C#N ZINC000120731125 1413887295 /nfs/dbraw/zinc/88/72/95/1413887295.db2.gz WVHJTUASFWIMLV-MSOLQXFVSA-N 1 1 398.507 3.039 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1Cl ZINC000120744298 1413890821 /nfs/dbraw/zinc/89/08/21/1413890821.db2.gz XJIRKWDROKNYMJ-YLJYHZDGSA-N 1 1 398.894 3.216 20 30 GGEDMO COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000120752711 1413892729 /nfs/dbraw/zinc/89/27/29/1413892729.db2.gz JLALDPGTDOQTOM-KRWDZBQOSA-N 1 1 399.516 3.024 20 30 GGEDMO COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000120752711 1413892733 /nfs/dbraw/zinc/89/27/33/1413892733.db2.gz JLALDPGTDOQTOM-KRWDZBQOSA-N 1 1 399.516 3.024 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1C#N ZINC000120806839 1413908944 /nfs/dbraw/zinc/90/89/44/1413908944.db2.gz BVRFUKJNBCXMRW-IAGOWNOFSA-N 1 1 398.482 3.136 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1C#N ZINC000120806839 1413908948 /nfs/dbraw/zinc/90/89/48/1413908948.db2.gz BVRFUKJNBCXMRW-IAGOWNOFSA-N 1 1 398.482 3.136 20 30 GGEDMO CN1CCC(NC(=S)C(C(=O)c2cccc(Cl)c2)[n+]2ccccc2)CC1 ZINC000120917241 1413947987 /nfs/dbraw/zinc/94/79/87/1413947987.db2.gz QWLMIKCVEZKRLA-UHFFFAOYSA-O 1 1 388.944 3.250 20 30 GGEDMO COc1ccc(C[NH+]2CCN(c3cc(C)ccn3)CC2)cc1OCCCC#N ZINC000120918823 1413948529 /nfs/dbraw/zinc/94/85/29/1413948529.db2.gz CZABYJCRNVUVED-UHFFFAOYSA-N 1 1 380.492 3.403 20 30 GGEDMO CC(C)(C)[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc(-c2nc[nH]n2)no1 ZINC000121037195 1413985284 /nfs/dbraw/zinc/98/52/84/1413985284.db2.gz KANGYSFHTSSLLP-INIZCTEOSA-N 1 1 395.467 3.414 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1 ZINC000121038399 1413985645 /nfs/dbraw/zinc/98/56/45/1413985645.db2.gz JAXCJTIJJMVOPH-IUODEOHRSA-N 1 1 381.440 3.023 20 30 GGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000121125840 1414016680 /nfs/dbraw/zinc/01/66/80/1414016680.db2.gz YWHUHTPWUQYTCI-KRWDZBQOSA-N 1 1 398.532 3.350 20 30 GGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000121125840 1414016687 /nfs/dbraw/zinc/01/66/87/1414016687.db2.gz YWHUHTPWUQYTCI-KRWDZBQOSA-N 1 1 398.532 3.350 20 30 GGEDMO C[NH+](C)[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000121150323 1414024929 /nfs/dbraw/zinc/02/49/29/1414024929.db2.gz BGUSUFCFBJAWPE-GZNCHQMQSA-N 1 1 378.476 3.062 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000121150970 1414025974 /nfs/dbraw/zinc/02/59/74/1414025974.db2.gz MTVTWQQIUHSYKD-GASCZTMLSA-N 1 1 399.441 3.376 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000121150970 1414025982 /nfs/dbraw/zinc/02/59/82/1414025982.db2.gz MTVTWQQIUHSYKD-GASCZTMLSA-N 1 1 399.441 3.376 20 30 GGEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000121169450 1414032028 /nfs/dbraw/zinc/03/20/28/1414032028.db2.gz AYSQVGVSLQZPJB-WQUXRXDGSA-N 1 1 384.524 3.276 20 30 GGEDMO C=CCc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc(OC)c1O ZINC000121217549 1414046679 /nfs/dbraw/zinc/04/66/79/1414046679.db2.gz LAKVYHAMODHFBF-UHFFFAOYSA-N 1 1 380.488 3.477 20 30 GGEDMO C=CCc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc(OC)c1O ZINC000121217549 1414046684 /nfs/dbraw/zinc/04/66/84/1414046684.db2.gz LAKVYHAMODHFBF-UHFFFAOYSA-N 1 1 380.488 3.477 20 30 GGEDMO CCCn1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000121224246 1414049057 /nfs/dbraw/zinc/04/90/57/1414049057.db2.gz KIMLNNGHDMXVSM-UHFFFAOYSA-N 1 1 391.519 3.390 20 30 GGEDMO CCCn1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000121224246 1414049065 /nfs/dbraw/zinc/04/90/65/1414049065.db2.gz KIMLNNGHDMXVSM-UHFFFAOYSA-N 1 1 391.519 3.390 20 30 GGEDMO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121375735 1414100108 /nfs/dbraw/zinc/10/01/08/1414100108.db2.gz PBEBOTXGPIIMDO-GFCCVEGCSA-N 1 1 399.886 3.116 20 30 GGEDMO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121375735 1414100110 /nfs/dbraw/zinc/10/01/10/1414100110.db2.gz PBEBOTXGPIIMDO-GFCCVEGCSA-N 1 1 399.886 3.116 20 30 GGEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCN(c2cccs2)CC1 ZINC000121458944 1414133018 /nfs/dbraw/zinc/13/30/18/1414133018.db2.gz HUNPOLXACZUBNZ-MRXNPFEDSA-N 1 1 389.484 3.107 20 30 GGEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000121502354 1414153156 /nfs/dbraw/zinc/15/31/56/1414153156.db2.gz NCBLJVJBQOUTCG-QFIPXVFZSA-N 1 1 375.472 3.380 20 30 GGEDMO NC(=[NH+]OCC(=O)N[C@H]1CCOc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000177547208 1428788340 /nfs/dbraw/zinc/78/83/40/1428788340.db2.gz SPPPDBDTQSHCMY-CONPEVPGSA-N 1 1 383.492 3.132 20 30 GGEDMO CC(C)[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])c1cccnc1 ZINC000177559778 1428794006 /nfs/dbraw/zinc/79/40/06/1428794006.db2.gz DONPFRYOKZLYBQ-KRWDZBQOSA-N 1 1 389.503 3.481 20 30 GGEDMO Cc1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1C#N ZINC000121954615 1414322017 /nfs/dbraw/zinc/32/20/17/1414322017.db2.gz VRDFDNSQOYMOMX-BEFAXECRSA-N 1 1 389.546 3.290 20 30 GGEDMO N#CCCn1cc(C[NH2+]Cc2nnc3n2CCCCC3)c(-c2ccccc2)n1 ZINC000121966008 1414326274 /nfs/dbraw/zinc/32/62/74/1414326274.db2.gz ZGIUGUNQRZCFIL-UHFFFAOYSA-N 1 1 375.480 3.071 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177592357 1428805352 /nfs/dbraw/zinc/80/53/52/1428805352.db2.gz BOCRSZJDSFTCOB-KNQAVFIVSA-N 1 1 399.535 3.372 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177592338 1428805554 /nfs/dbraw/zinc/80/55/54/1428805554.db2.gz BOCRSZJDSFTCOB-UGKGYDQZSA-N 1 1 399.535 3.372 20 30 GGEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000122369824 1414437848 /nfs/dbraw/zinc/43/78/48/1414437848.db2.gz YKMYDKYKXZSUFL-UHFFFAOYSA-N 1 1 394.427 3.026 20 30 GGEDMO CC[C@H](NC(=O)c1cccc(CC#N)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177608505 1428809548 /nfs/dbraw/zinc/80/95/48/1428809548.db2.gz OUIKIZUEAGEUHB-FCHUYYIVSA-N 1 1 377.488 3.162 20 30 GGEDMO CC[C@H](NC(=O)c1cccc(CC#N)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177608505 1428809550 /nfs/dbraw/zinc/80/95/50/1428809550.db2.gz OUIKIZUEAGEUHB-FCHUYYIVSA-N 1 1 377.488 3.162 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)o2)cc1 ZINC000177614371 1428810952 /nfs/dbraw/zinc/81/09/52/1428810952.db2.gz DDIOHPPBPMILOE-IBGZPJMESA-N 1 1 382.464 3.158 20 30 GGEDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000122600875 1414513207 /nfs/dbraw/zinc/51/32/07/1414513207.db2.gz ZETLWMBGXKTPHH-OAHLLOKOSA-N 1 1 389.443 3.072 20 30 GGEDMO N#Cc1csc(CNc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000122660095 1414531807 /nfs/dbraw/zinc/53/18/07/1414531807.db2.gz KFXBGEZZEIDVRM-UHFFFAOYSA-N 1 1 388.468 3.032 20 30 GGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000122688620 1414539199 /nfs/dbraw/zinc/53/91/99/1414539199.db2.gz BRXGULJVFIWMEJ-QGZVFWFLSA-N 1 1 381.442 3.334 20 30 GGEDMO COc1cc(OC)c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000122828064 1414575209 /nfs/dbraw/zinc/57/52/09/1414575209.db2.gz KPVBLIJCDXJMQU-UHFFFAOYSA-N 1 1 395.503 3.292 20 30 GGEDMO N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000177660697 1428825369 /nfs/dbraw/zinc/82/53/69/1428825369.db2.gz WGHVWFQNLRGICM-KRWDZBQOSA-N 1 1 384.499 3.001 20 30 GGEDMO COCC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1 ZINC000123417657 1414724050 /nfs/dbraw/zinc/72/40/50/1414724050.db2.gz ORSBOHUXVUQXFG-UHFFFAOYSA-N 1 1 391.471 3.083 20 30 GGEDMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000123536015 1414766602 /nfs/dbraw/zinc/76/66/02/1414766602.db2.gz VLJXGHXEMSONBI-QGZVFWFLSA-N 1 1 391.899 3.091 20 30 GGEDMO COCC[N@@H+](C)CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000123621867 1414798453 /nfs/dbraw/zinc/79/84/53/1414798453.db2.gz HXLOCWCIDZCOTB-OAQYLSRUSA-N 1 1 377.492 3.005 20 30 GGEDMO COCC[N@@H+](C)CC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000123621636 1414799003 /nfs/dbraw/zinc/79/90/03/1414799003.db2.gz HXLOCWCIDZCOTB-NRFANRHFSA-N 1 1 377.492 3.005 20 30 GGEDMO C=CCc1cc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000123682435 1414809469 /nfs/dbraw/zinc/80/94/69/1414809469.db2.gz CAWKGNPUMMFGFW-CALCHBBNSA-N 1 1 390.524 3.052 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123751082 1414819650 /nfs/dbraw/zinc/81/96/50/1414819650.db2.gz YFHWUKGEWFCNMJ-HUUCEWRRSA-N 1 1 385.899 3.227 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000124010501 1414868477 /nfs/dbraw/zinc/86/84/77/1414868477.db2.gz LVOCRXDHNNBVNO-QGZVFWFLSA-N 1 1 380.467 3.232 20 30 GGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124242626 1414918021 /nfs/dbraw/zinc/91/80/21/1414918021.db2.gz LGNZHXSXBUHACC-UHFFFAOYSA-N 1 1 393.459 3.155 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000177743347 1428848345 /nfs/dbraw/zinc/84/83/45/1428848345.db2.gz QVERMRGXEDIJFY-PKOBYXMFSA-N 1 1 379.460 3.094 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000177743347 1428848349 /nfs/dbraw/zinc/84/83/49/1428848349.db2.gz QVERMRGXEDIJFY-PKOBYXMFSA-N 1 1 379.460 3.094 20 30 GGEDMO Cc1nc(SCC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c(C#N)c(C)c1C ZINC000124335406 1414942712 /nfs/dbraw/zinc/94/27/12/1414942712.db2.gz FFQHTWKJOWSNFA-GOSISDBHSA-N 1 1 388.581 3.455 20 30 GGEDMO C[N@@H+](CCCn1ccnc1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000124373635 1414951630 /nfs/dbraw/zinc/95/16/30/1414951630.db2.gz ZUXTYFATJIFBEI-UHFFFAOYSA-N 1 1 385.537 3.436 20 30 GGEDMO C[C@@H](c1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1)[NH+]1CCOCC1 ZINC000124425335 1414965157 /nfs/dbraw/zinc/96/51/57/1414965157.db2.gz MATIXTGEJXQHJG-KRWDZBQOSA-N 1 1 379.460 3.163 20 30 GGEDMO Cc1oc(NC(=O)CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000124444439 1414969959 /nfs/dbraw/zinc/96/99/59/1414969959.db2.gz ZFRRXJFDYBXJHG-UHFFFAOYSA-N 1 1 384.455 3.054 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3noc4c3CCCCC4)CC2)cc1 ZINC000124452827 1414972167 /nfs/dbraw/zinc/97/21/67/1414972167.db2.gz XYKALWPEJXQUIR-UHFFFAOYSA-N 1 1 378.476 3.163 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3noc4c3CCCCC4)CC2)cc1 ZINC000124452827 1414972169 /nfs/dbraw/zinc/97/21/69/1414972169.db2.gz XYKALWPEJXQUIR-UHFFFAOYSA-N 1 1 378.476 3.163 20 30 GGEDMO C=CCn1c2nnc(SCCCCn3cc[nH+]c3C)n2c2ccccc2c1=O ZINC000124582955 1414999030 /nfs/dbraw/zinc/99/90/30/1414999030.db2.gz RFVHIYPMAOZGOA-UHFFFAOYSA-N 1 1 394.504 3.308 20 30 GGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124764082 1415039188 /nfs/dbraw/zinc/03/91/88/1415039188.db2.gz ZTQCWZLBQCCYCS-JOCHJYFZSA-N 1 1 377.488 3.198 20 30 GGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124764082 1415039192 /nfs/dbraw/zinc/03/91/92/1415039192.db2.gz ZTQCWZLBQCCYCS-JOCHJYFZSA-N 1 1 377.488 3.198 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2cccc3c2CCCN3C(=O)OC(C)(C)C)CC1 ZINC000124802008 1415047071 /nfs/dbraw/zinc/04/70/71/1415047071.db2.gz SBKWLZLKQKGALB-UHFFFAOYSA-N 1 1 397.519 3.155 20 30 GGEDMO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000124873418 1415063916 /nfs/dbraw/zinc/06/39/16/1415063916.db2.gz OURBELCPEAKETI-LJQANCHMSA-N 1 1 384.476 3.301 20 30 GGEDMO CCOC(=O)CC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000125092717 1415107379 /nfs/dbraw/zinc/10/73/79/1415107379.db2.gz HSWWNVVFPBYYJQ-UHFFFAOYSA-N 1 1 381.476 3.403 20 30 GGEDMO C=CCOc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000125154488 1415120458 /nfs/dbraw/zinc/12/04/58/1415120458.db2.gz HTRSYCHNUDYVSX-FQEVSTJZSA-N 1 1 380.488 3.138 20 30 GGEDMO CC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000125255189 1415143016 /nfs/dbraw/zinc/14/30/16/1415143016.db2.gz MMRLVIMGDGTIKH-SJORKVTESA-N 1 1 384.524 3.088 20 30 GGEDMO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125292191 1415154397 /nfs/dbraw/zinc/15/43/97/1415154397.db2.gz UZGHJRPDCPLAIH-QGZVFWFLSA-N 1 1 392.503 3.499 20 30 GGEDMO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125292191 1415154407 /nfs/dbraw/zinc/15/44/07/1415154407.db2.gz UZGHJRPDCPLAIH-QGZVFWFLSA-N 1 1 392.503 3.499 20 30 GGEDMO CCOC(C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)OCC ZINC000125301976 1415157362 /nfs/dbraw/zinc/15/73/62/1415157362.db2.gz UFZZACJALYAZGP-KRWDZBQOSA-N 1 1 396.329 3.030 20 30 GGEDMO CCOC(C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)OCC ZINC000125302204 1415157583 /nfs/dbraw/zinc/15/75/83/1415157583.db2.gz UFZZACJALYAZGP-QGZVFWFLSA-N 1 1 396.329 3.030 20 30 GGEDMO N#CCCCOc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000125408346 1415190114 /nfs/dbraw/zinc/19/01/14/1415190114.db2.gz MMTAMTSMRWLKJW-NRFANRHFSA-N 1 1 379.460 3.209 20 30 GGEDMO N#CCCCOc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000125408346 1415190120 /nfs/dbraw/zinc/19/01/20/1415190120.db2.gz MMTAMTSMRWLKJW-NRFANRHFSA-N 1 1 379.460 3.209 20 30 GGEDMO COc1ccccc1-c1nc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000125489045 1415212926 /nfs/dbraw/zinc/21/29/26/1415212926.db2.gz DHUXLMBDSAYYBK-UHFFFAOYSA-N 1 1 382.493 3.060 20 30 GGEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177902739 1428887621 /nfs/dbraw/zinc/88/76/21/1428887621.db2.gz FTMYBBOHKSBJFN-IYBDPMFKSA-N 1 1 388.487 3.441 20 30 GGEDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000125993405 1415332115 /nfs/dbraw/zinc/33/21/15/1415332115.db2.gz YPUWCLJRDBOYLI-KNQAVFIVSA-N 1 1 392.503 3.434 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000126051071 1415345310 /nfs/dbraw/zinc/34/53/10/1415345310.db2.gz HFZZPFCJLXJIGN-UWJYYQICSA-N 1 1 396.466 3.264 20 30 GGEDMO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC000126100997 1415358264 /nfs/dbraw/zinc/35/82/64/1415358264.db2.gz FXAVMVKFQGFCRA-GOSISDBHSA-N 1 1 382.508 3.128 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@H]2CCCCO2)c1C#N ZINC000126122170 1415363259 /nfs/dbraw/zinc/36/32/59/1415363259.db2.gz LXHVVFMVCPTZGL-QGZVFWFLSA-N 1 1 384.480 3.057 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCCO2)c1C#N ZINC000126122170 1415363269 /nfs/dbraw/zinc/36/32/69/1415363269.db2.gz LXHVVFMVCPTZGL-QGZVFWFLSA-N 1 1 384.480 3.057 20 30 GGEDMO COc1ccccc1SCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000126158287 1415372600 /nfs/dbraw/zinc/37/26/00/1415372600.db2.gz JHBQVPHROXTSIX-UHFFFAOYSA-N 1 1 395.528 3.393 20 30 GGEDMO COc1ccccc1SCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000126158287 1415372605 /nfs/dbraw/zinc/37/26/05/1415372605.db2.gz JHBQVPHROXTSIX-UHFFFAOYSA-N 1 1 395.528 3.393 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000177996891 1428922641 /nfs/dbraw/zinc/92/26/41/1428922641.db2.gz OEMPQJUIASYSHE-NHCUHLMSSA-N 1 1 382.508 3.011 20 30 GGEDMO COc1ccc(C[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000126635366 1415513276 /nfs/dbraw/zinc/51/32/76/1415513276.db2.gz LSXCILHQIWTTGZ-LJQANCHMSA-N 1 1 391.515 3.480 20 30 GGEDMO COc1ccc(C[C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000126635366 1415513281 /nfs/dbraw/zinc/51/32/81/1415513281.db2.gz LSXCILHQIWTTGZ-LJQANCHMSA-N 1 1 391.515 3.480 20 30 GGEDMO Cc1nc(SCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C#N)c(C)c1C ZINC000126644814 1415515530 /nfs/dbraw/zinc/51/55/30/1415515530.db2.gz SVGLNOZZXCSMRI-YLJYHZDGSA-N 1 1 398.576 3.446 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000126664790 1415521155 /nfs/dbraw/zinc/52/11/55/1415521155.db2.gz UFVGYGCLGYFFFE-FQEVSTJZSA-N 1 1 389.421 3.428 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000126749765 1415546763 /nfs/dbraw/zinc/54/67/63/1415546763.db2.gz YUPRKCSJMABMJX-MRXNPFEDSA-N 1 1 393.528 3.363 20 30 GGEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000178041852 1428953395 /nfs/dbraw/zinc/95/33/95/1428953395.db2.gz FRJBKGOCDLPZRW-HXUWFJFHSA-N 1 1 377.488 3.469 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(Cl)nc3)CC2)cc1 ZINC000126887032 1415595561 /nfs/dbraw/zinc/59/55/61/1415595561.db2.gz VGIBUZHGLWNTNE-UHFFFAOYSA-N 1 1 383.883 3.024 20 30 GGEDMO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)ccc1OC(=O)C1CC1 ZINC000126929902 1415612136 /nfs/dbraw/zinc/61/21/36/1415612136.db2.gz WBEIJMRMYUOKRA-UHFFFAOYSA-N 1 1 391.471 3.204 20 30 GGEDMO C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000126976341 1415622973 /nfs/dbraw/zinc/62/29/73/1415622973.db2.gz XGDWTWPSWCBZNE-CRAIPNDOSA-N 1 1 381.501 3.158 20 30 GGEDMO C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000126976341 1415622984 /nfs/dbraw/zinc/62/29/84/1415622984.db2.gz XGDWTWPSWCBZNE-CRAIPNDOSA-N 1 1 381.501 3.158 20 30 GGEDMO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000127113486 1415663664 /nfs/dbraw/zinc/66/36/64/1415663664.db2.gz MSCTYVTZTWKTJK-UHFFFAOYSA-N 1 1 389.971 3.108 20 30 GGEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000127438520 1415779002 /nfs/dbraw/zinc/77/90/02/1415779002.db2.gz RBCNIMWVOVDFTE-CYBMUJFWSA-N 1 1 387.833 3.327 20 30 GGEDMO C[C@H](C#N)Oc1ccc(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000127495623 1415800894 /nfs/dbraw/zinc/80/08/94/1415800894.db2.gz AKABTXBLZHKHRR-XLIONFOSSA-N 1 1 392.503 3.287 20 30 GGEDMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1 ZINC000127566037 1415811080 /nfs/dbraw/zinc/81/10/80/1415811080.db2.gz FNJYALRRSKZTKI-JOCHJYFZSA-N 1 1 392.503 3.151 20 30 GGEDMO CCC1(CO)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000127677281 1415831414 /nfs/dbraw/zinc/83/14/14/1415831414.db2.gz IWHBCUMHCIARGT-UHFFFAOYSA-N 1 1 394.519 3.389 20 30 GGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)Cc3cccc(C#N)c3)cc2)C1 ZINC000127738203 1415841821 /nfs/dbraw/zinc/84/18/21/1415841821.db2.gz LIKNPECQUQAQCV-GOSISDBHSA-N 1 1 397.544 3.410 20 30 GGEDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000127837914 1415860252 /nfs/dbraw/zinc/86/02/52/1415860252.db2.gz BNEZZDCWSGRFJV-INIZCTEOSA-N 1 1 380.366 3.329 20 30 GGEDMO C=CCOc1ccc(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000178188223 1429013377 /nfs/dbraw/zinc/01/33/77/1429013377.db2.gz ULXXSGXOSWCOMZ-UHFFFAOYSA-N 1 1 396.491 3.066 20 30 GGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1CC(F)(F)F ZINC000127949744 1415881783 /nfs/dbraw/zinc/88/17/83/1415881783.db2.gz FFBVGDIONHZXCV-LBPRGKRZSA-N 1 1 388.821 3.109 20 30 GGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1CC(F)(F)F ZINC000127949744 1415881785 /nfs/dbraw/zinc/88/17/85/1415881785.db2.gz FFBVGDIONHZXCV-LBPRGKRZSA-N 1 1 388.821 3.109 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000128231526 1415944965 /nfs/dbraw/zinc/94/49/65/1415944965.db2.gz AYSALUVPIDEDGL-UXHICEINSA-N 1 1 379.460 3.012 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000128231526 1415944970 /nfs/dbraw/zinc/94/49/70/1415944970.db2.gz AYSALUVPIDEDGL-UXHICEINSA-N 1 1 379.460 3.012 20 30 GGEDMO C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H]1C[N@H+](C)CCO1 ZINC000128395906 1415978549 /nfs/dbraw/zinc/97/85/49/1415978549.db2.gz SKDDZDJLXVDLGG-VBKZILBWSA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000128395906 1415978556 /nfs/dbraw/zinc/97/85/56/1415978556.db2.gz SKDDZDJLXVDLGG-VBKZILBWSA-N 1 1 399.878 3.453 20 30 GGEDMO N#Cc1cccc(OCCC[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000178294626 1429044681 /nfs/dbraw/zinc/04/46/81/1429044681.db2.gz ITAFQOJCYPONGC-UHFFFAOYSA-N 1 1 381.451 3.314 20 30 GGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000178303453 1429046826 /nfs/dbraw/zinc/04/68/26/1429046826.db2.gz BKIQORNNSKDKHU-GBESFXJTSA-N 1 1 377.271 3.489 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000128927796 1416104917 /nfs/dbraw/zinc/10/49/17/1416104917.db2.gz VONOUTPIEVDVPB-UHFFFAOYSA-N 1 1 395.890 3.373 20 30 GGEDMO CC(C)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc(-c2nc[nH]n2)no1 ZINC000129122522 1416150531 /nfs/dbraw/zinc/15/05/31/1416150531.db2.gz BPZMUOQDHSCTOD-INIZCTEOSA-N 1 1 381.440 3.024 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000178395124 1429068739 /nfs/dbraw/zinc/06/87/39/1429068739.db2.gz NGLYWMABWQVNPH-JOCHJYFZSA-N 1 1 398.528 3.094 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000178395124 1429068744 /nfs/dbraw/zinc/06/87/44/1429068744.db2.gz NGLYWMABWQVNPH-JOCHJYFZSA-N 1 1 398.528 3.094 20 30 GGEDMO C[NH+]1CCN(c2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2Cl)CC1 ZINC000129846654 1416273157 /nfs/dbraw/zinc/27/31/57/1416273157.db2.gz JUQAWHGCXAYGLV-UHFFFAOYSA-N 1 1 390.821 3.494 20 30 GGEDMO Cc1noc(C)c1[C@H](C)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000129999905 1416300073 /nfs/dbraw/zinc/30/00/73/1416300073.db2.gz FZRLGBWJDHCVOX-GFCCVEGCSA-N 1 1 379.464 3.055 20 30 GGEDMO CC(C)[C@@H](CC[N@@H+](C)CC(=O)NC1(C#N)CCCCC1)NC(=O)OC(C)(C)C ZINC000178467712 1429084353 /nfs/dbraw/zinc/08/43/53/1429084353.db2.gz TZJCQKYXMSDVJV-QGZVFWFLSA-N 1 1 394.560 3.200 20 30 GGEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000130051614 1416308916 /nfs/dbraw/zinc/30/89/16/1416308916.db2.gz MLTIGIJULSUFFA-KRWDZBQOSA-N 1 1 398.850 3.315 20 30 GGEDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000130220073 1416341651 /nfs/dbraw/zinc/34/16/51/1416341651.db2.gz WIZJEXKSFOXSQC-UHFFFAOYSA-N 1 1 378.432 3.445 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000178527414 1429097120 /nfs/dbraw/zinc/09/71/20/1429097120.db2.gz VJCVPKZAGOMSOR-QGZVFWFLSA-N 1 1 396.535 3.308 20 30 GGEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000130619499 1416412087 /nfs/dbraw/zinc/41/20/87/1416412087.db2.gz PKQNLCPREIVOQZ-SFTDATJTSA-N 1 1 392.503 3.245 20 30 GGEDMO CN(C)C(=O)c1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000130819661 1416458804 /nfs/dbraw/zinc/45/88/04/1416458804.db2.gz TZWGEAXFQFNVMJ-UHFFFAOYSA-N 1 1 399.498 3.130 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130820170 1416458903 /nfs/dbraw/zinc/45/89/03/1416458903.db2.gz PXNLQJIFPFOJPJ-FQEVSTJZSA-N 1 1 381.432 3.065 20 30 GGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000130826721 1416461425 /nfs/dbraw/zinc/46/14/25/1416461425.db2.gz YTRSXFWAIWXIKO-OAQYLSRUSA-N 1 1 376.435 3.101 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000130835110 1416463217 /nfs/dbraw/zinc/46/32/17/1416463217.db2.gz OTWCVZATYKXVPO-NRFANRHFSA-N 1 1 386.540 3.084 20 30 GGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC(=O)NC4(C#N)CCCCC4)C3)nc2c1 ZINC000130851566 1416467923 /nfs/dbraw/zinc/46/79/23/1416467923.db2.gz NICBMFSVTCQKEE-KRWDZBQOSA-N 1 1 379.508 3.393 20 30 GGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC(=O)NC4(C#N)CCCCC4)C3)nc2c1 ZINC000130851566 1416467927 /nfs/dbraw/zinc/46/79/27/1416467927.db2.gz NICBMFSVTCQKEE-KRWDZBQOSA-N 1 1 379.508 3.393 20 30 GGEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CC(=O)NC4(C#N)CCCCC4)C3)[nH]c2c1 ZINC000130851566 1416467930 /nfs/dbraw/zinc/46/79/30/1416467930.db2.gz NICBMFSVTCQKEE-KRWDZBQOSA-N 1 1 379.508 3.393 20 30 GGEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CC(=O)NC4(C#N)CCCCC4)C3)[nH]c2c1 ZINC000130851566 1416467934 /nfs/dbraw/zinc/46/79/34/1416467934.db2.gz NICBMFSVTCQKEE-KRWDZBQOSA-N 1 1 379.508 3.393 20 30 GGEDMO C[N@H+](CCNC(=O)C1CCN(Cc2cc(C#N)cs2)CC1)Cc1ccccc1 ZINC000130909522 1416479490 /nfs/dbraw/zinc/47/94/90/1416479490.db2.gz RPLYQMWZPBUOGC-UHFFFAOYSA-N 1 1 396.560 3.080 20 30 GGEDMO C[N@@H+](CCNC(=O)C1CCN(Cc2cc(C#N)cs2)CC1)Cc1ccccc1 ZINC000130909522 1416479493 /nfs/dbraw/zinc/47/94/93/1416479493.db2.gz RPLYQMWZPBUOGC-UHFFFAOYSA-N 1 1 396.560 3.080 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1)C1CC1 ZINC000131166834 1416518490 /nfs/dbraw/zinc/51/84/90/1416518490.db2.gz YPJIAMZJBNTEHK-RXVVDRJESA-N 1 1 383.517 3.092 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1)C1CC1 ZINC000131166834 1416518493 /nfs/dbraw/zinc/51/84/93/1416518493.db2.gz YPJIAMZJBNTEHK-RXVVDRJESA-N 1 1 383.517 3.092 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131229672 1416526982 /nfs/dbraw/zinc/52/69/82/1416526982.db2.gz NDXPBDUOUYOIQE-RBUKOAKNSA-N 1 1 379.508 3.010 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131229893 1416527032 /nfs/dbraw/zinc/52/70/32/1416527032.db2.gz NDXPBDUOUYOIQE-RTBURBONSA-N 1 1 379.508 3.010 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1C ZINC000131287242 1416535318 /nfs/dbraw/zinc/53/53/18/1416535318.db2.gz IUPKHKIMGWXUHE-FQEVSTJZSA-N 1 1 393.535 3.238 20 30 GGEDMO C=CCOc1cccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000131304734 1416537344 /nfs/dbraw/zinc/53/73/44/1416537344.db2.gz ODOFYPSVYBXXIK-PMACEKPBSA-N 1 1 381.476 3.008 20 30 GGEDMO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131314123 1416538978 /nfs/dbraw/zinc/53/89/78/1416538978.db2.gz KPKRNZBRDOSRJY-JOCHJYFZSA-N 1 1 389.499 3.272 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000178561178 1429107089 /nfs/dbraw/zinc/10/70/89/1429107089.db2.gz FPLUXTDXRFKKBE-MRXNPFEDSA-N 1 1 378.476 3.409 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000178561178 1429107097 /nfs/dbraw/zinc/10/70/97/1429107097.db2.gz FPLUXTDXRFKKBE-MRXNPFEDSA-N 1 1 378.476 3.409 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000131488271 1416565310 /nfs/dbraw/zinc/56/53/10/1416565310.db2.gz ZMTUHAFGAAAKFQ-FQEVSTJZSA-N 1 1 398.459 3.130 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000131488271 1416565312 /nfs/dbraw/zinc/56/53/12/1416565312.db2.gz ZMTUHAFGAAAKFQ-FQEVSTJZSA-N 1 1 398.459 3.130 20 30 GGEDMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)c(Cl)c3)C2)cc(OC)c1 ZINC000131870861 1416637947 /nfs/dbraw/zinc/63/79/47/1416637947.db2.gz PJKKQUBXXPNIPL-QGZVFWFLSA-N 1 1 399.878 3.233 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)c(Cl)c3)C2)cc(OC)c1 ZINC000131870861 1416637954 /nfs/dbraw/zinc/63/79/54/1416637954.db2.gz PJKKQUBXXPNIPL-QGZVFWFLSA-N 1 1 399.878 3.233 20 30 GGEDMO Cc1cc(C#N)ccc1C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178592074 1429115511 /nfs/dbraw/zinc/11/55/11/1429115511.db2.gz NHIKWNBRONXLNY-HDICACEKSA-N 1 1 377.488 3.406 20 30 GGEDMO Cc1cc(C#N)ccc1C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178592074 1429115520 /nfs/dbraw/zinc/11/55/20/1429115520.db2.gz NHIKWNBRONXLNY-HDICACEKSA-N 1 1 377.488 3.406 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000131977710 1416665409 /nfs/dbraw/zinc/66/54/09/1416665409.db2.gz MWHUQUDGCQVCDX-RTWAWAEBSA-N 1 1 395.503 3.398 20 30 GGEDMO N#CCOc1cccc(CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000132109452 1416698165 /nfs/dbraw/zinc/69/81/65/1416698165.db2.gz VGEKUZIYRJZGBB-UHFFFAOYSA-N 1 1 381.451 3.005 20 30 GGEDMO N#CCOc1cccc(CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000132109452 1416698172 /nfs/dbraw/zinc/69/81/72/1416698172.db2.gz VGEKUZIYRJZGBB-UHFFFAOYSA-N 1 1 381.451 3.005 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000132220797 1416719328 /nfs/dbraw/zinc/71/93/28/1416719328.db2.gz FJUSHYLUAZPLRV-IIBYNOLFSA-N 1 1 375.488 3.250 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000132221414 1416719352 /nfs/dbraw/zinc/71/93/52/1416719352.db2.gz FJUSHYLUAZPLRV-KKSFZXQISA-N 1 1 375.488 3.250 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000132281858 1416728410 /nfs/dbraw/zinc/72/84/10/1416728410.db2.gz BIIHBLUFJLHRLQ-IRXDYDNUSA-N 1 1 388.537 3.267 20 30 GGEDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000132430154 1416759049 /nfs/dbraw/zinc/75/90/49/1416759049.db2.gz OCMXJLUOMJORBP-HOCLYGCPSA-N 1 1 383.448 3.257 20 30 GGEDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000132430154 1416759053 /nfs/dbraw/zinc/75/90/53/1416759053.db2.gz OCMXJLUOMJORBP-HOCLYGCPSA-N 1 1 383.448 3.257 20 30 GGEDMO C[C@H](C1CC1)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178613181 1429122422 /nfs/dbraw/zinc/12/24/22/1429122422.db2.gz XNTSHAGKRSNTKH-WBVHZDCISA-N 1 1 384.524 3.086 20 30 GGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000132593465 1416790240 /nfs/dbraw/zinc/79/02/40/1416790240.db2.gz IRISVEGUNPYUTQ-HNNXBMFYSA-N 1 1 389.521 3.243 20 30 GGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000132593465 1416790257 /nfs/dbraw/zinc/79/02/57/1416790257.db2.gz IRISVEGUNPYUTQ-HNNXBMFYSA-N 1 1 389.521 3.243 20 30 GGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N(CCC#N)CC3CC3)cc2)C1 ZINC000132605386 1416791907 /nfs/dbraw/zinc/79/19/07/1416791907.db2.gz XOVYJVJLIARNLE-QGZVFWFLSA-N 1 1 382.508 3.009 20 30 GGEDMO Cc1cccc(S(=O)(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C#N ZINC000132951782 1416835212 /nfs/dbraw/zinc/83/52/12/1416835212.db2.gz PZDXIAJBBLELBB-UHFFFAOYSA-N 1 1 397.544 3.399 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000133064909 1416847912 /nfs/dbraw/zinc/84/79/12/1416847912.db2.gz GTMIVVVKDNHZBY-OAQYLSRUSA-N 1 1 392.503 3.040 20 30 GGEDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000133425577 1416888551 /nfs/dbraw/zinc/88/85/51/1416888551.db2.gz LCPMZXXRHOQIJF-IBGZPJMESA-N 1 1 384.524 3.295 20 30 GGEDMO C=CCNC(=O)c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000133857908 1416979444 /nfs/dbraw/zinc/97/94/44/1416979444.db2.gz VEQAXWFJQOJBJT-FGZHOGPDSA-N 1 1 390.531 3.488 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C)c1C#N ZINC000133937840 1416998338 /nfs/dbraw/zinc/99/83/38/1416998338.db2.gz YVCFECHAYCWALE-HXUWFJFHSA-N 1 1 397.544 3.399 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C)c1C#N ZINC000133938009 1416998511 /nfs/dbraw/zinc/99/85/11/1416998511.db2.gz YVCFECHAYCWALE-FQEVSTJZSA-N 1 1 397.544 3.399 20 30 GGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000134022067 1417011059 /nfs/dbraw/zinc/01/10/59/1417011059.db2.gz GKVZYDFICWVBJJ-LJQANCHMSA-N 1 1 384.524 3.089 20 30 GGEDMO C[C@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C[NH+]1CCOCC1 ZINC000134050925 1417014592 /nfs/dbraw/zinc/01/45/92/1417014592.db2.gz LSNJLYDXMRZPTD-QGZVFWFLSA-N 1 1 379.460 3.049 20 30 GGEDMO C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000134105848 1417022735 /nfs/dbraw/zinc/02/27/35/1417022735.db2.gz ATGFKJDDNAFZNK-KRWDZBQOSA-N 1 1 395.528 3.408 20 30 GGEDMO C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000134106030 1417023279 /nfs/dbraw/zinc/02/32/79/1417023279.db2.gz ATGFKJDDNAFZNK-QGZVFWFLSA-N 1 1 395.528 3.408 20 30 GGEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000134171657 1417032907 /nfs/dbraw/zinc/03/29/07/1417032907.db2.gz BBYHMXGXUWQARA-XMMPIXPASA-N 1 1 391.515 3.085 20 30 GGEDMO N#Cc1ccc(OCC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000134263460 1417046121 /nfs/dbraw/zinc/04/61/21/1417046121.db2.gz ZRXFJGSLPJYTFI-SFHVURJKSA-N 1 1 399.878 3.077 20 30 GGEDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000134362178 1417061212 /nfs/dbraw/zinc/06/12/12/1417061212.db2.gz SMTIHBSGMXVAEA-HXUWFJFHSA-N 1 1 383.517 3.127 20 30 GGEDMO CC[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000134520208 1417080834 /nfs/dbraw/zinc/08/08/34/1417080834.db2.gz ZYUYQSFHSBILLO-NRFANRHFSA-N 1 1 377.488 3.085 20 30 GGEDMO C[C@@H](N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)C(F)(F)F ZINC000178743199 1429159065 /nfs/dbraw/zinc/15/90/65/1429159065.db2.gz LHLDPYWEDVWYHS-GFCCVEGCSA-N 1 1 388.821 3.109 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000134639700 1417102731 /nfs/dbraw/zinc/10/27/31/1417102731.db2.gz MMKRTUMMXHZFJN-DZGCQCFKSA-N 1 1 392.525 3.326 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000134639723 1417103029 /nfs/dbraw/zinc/10/30/29/1417103029.db2.gz MMKRTUMMXHZFJN-HIFRSBDPSA-N 1 1 392.525 3.326 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000134650796 1417104917 /nfs/dbraw/zinc/10/49/17/1417104917.db2.gz ANDVBSMKMLJANK-CRAIPNDOSA-N 1 1 386.496 3.264 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000134649641 1417104963 /nfs/dbraw/zinc/10/49/63/1417104963.db2.gz JHSFHJBPROQJKN-DLBZAZTESA-N 1 1 392.544 3.049 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000134649641 1417104971 /nfs/dbraw/zinc/10/49/71/1417104971.db2.gz JHSFHJBPROQJKN-DLBZAZTESA-N 1 1 392.544 3.049 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000134649664 1417105055 /nfs/dbraw/zinc/10/50/55/1417105055.db2.gz JHSFHJBPROQJKN-SJORKVTESA-N 1 1 392.544 3.049 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000134649664 1417105062 /nfs/dbraw/zinc/10/50/62/1417105062.db2.gz JHSFHJBPROQJKN-SJORKVTESA-N 1 1 392.544 3.049 20 30 GGEDMO C=C(C)CN1CCC([NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC1 ZINC000134738294 1417118806 /nfs/dbraw/zinc/11/88/06/1417118806.db2.gz PUYJDFYWVFRRFV-NHCUHLMSSA-N 1 1 377.960 3.342 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)C2=O)cc1 ZINC000134779601 1417124621 /nfs/dbraw/zinc/12/46/21/1417124621.db2.gz NKDJKMXRFHEIBA-FSSWDIPSSA-N 1 1 393.462 3.391 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc2c(c1)OCCO2)[N@@H+]1CCc2ccccc2C1 ZINC000134800343 1417128198 /nfs/dbraw/zinc/12/81/98/1417128198.db2.gz KPVSXIKQOPBXSI-KRWDZBQOSA-N 1 1 391.471 3.151 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc2c(c1)OCCO2)[N@H+]1CCc2ccccc2C1 ZINC000134800343 1417128204 /nfs/dbraw/zinc/12/82/04/1417128204.db2.gz KPVSXIKQOPBXSI-KRWDZBQOSA-N 1 1 391.471 3.151 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134802573 1417128406 /nfs/dbraw/zinc/12/84/06/1417128406.db2.gz CNKLEJUEPIWHDH-AHRSYUTCSA-N 1 1 387.499 3.445 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000134904328 1417142459 /nfs/dbraw/zinc/14/24/59/1417142459.db2.gz MQHNYNMWDBENHD-NFBKMPQASA-N 1 1 394.563 3.499 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134929907 1417147348 /nfs/dbraw/zinc/14/73/48/1417147348.db2.gz BAEIUCJEVWWBAG-UTKZUKDTSA-N 1 1 393.535 3.125 20 30 GGEDMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)cc1C#N ZINC000135083411 1417170951 /nfs/dbraw/zinc/17/09/51/1417170951.db2.gz SFBDLBGVUFCOCF-MRXNPFEDSA-N 1 1 394.393 3.457 20 30 GGEDMO COc1ccc(C[N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)cc1C#N ZINC000135083391 1417171131 /nfs/dbraw/zinc/17/11/31/1417171131.db2.gz SFBDLBGVUFCOCF-INIZCTEOSA-N 1 1 394.393 3.457 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000135120519 1417174035 /nfs/dbraw/zinc/17/40/35/1417174035.db2.gz OFRCTDYCARVPNL-GOSISDBHSA-N 1 1 393.535 3.079 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000135120519 1417174039 /nfs/dbraw/zinc/17/40/39/1417174039.db2.gz OFRCTDYCARVPNL-GOSISDBHSA-N 1 1 393.535 3.079 20 30 GGEDMO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135117493 1417174220 /nfs/dbraw/zinc/17/42/20/1417174220.db2.gz BZIOJOMJGCJOMY-LJQANCHMSA-N 1 1 382.552 3.006 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1C#N ZINC000135174491 1417180984 /nfs/dbraw/zinc/18/09/84/1417180984.db2.gz KKGNZFJHFICQQO-OAHLLOKOSA-N 1 1 384.867 3.466 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135233912 1417193215 /nfs/dbraw/zinc/19/32/15/1417193215.db2.gz XWLVVJJHUOJEBV-IBGZPJMESA-N 1 1 381.432 3.065 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135233912 1417193219 /nfs/dbraw/zinc/19/32/19/1417193219.db2.gz XWLVVJJHUOJEBV-IBGZPJMESA-N 1 1 381.432 3.065 20 30 GGEDMO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135276093 1417201297 /nfs/dbraw/zinc/20/12/97/1417201297.db2.gz OIEYETXRMBYUOM-KRWDZBQOSA-N 1 1 397.523 3.286 20 30 GGEDMO C=C(C)COCCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135778822 1417266996 /nfs/dbraw/zinc/26/69/96/1417266996.db2.gz HVNUPPFXDUMGRQ-CRAIPNDOSA-N 1 1 383.895 3.364 20 30 GGEDMO C=CCNc1ncc(C(=O)Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)s1 ZINC000136161231 1417296697 /nfs/dbraw/zinc/29/66/97/1417296697.db2.gz HMZGZTBKCMFJPS-UHFFFAOYSA-N 1 1 385.537 3.131 20 30 GGEDMO C=CCNc1ncc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)s1 ZINC000136188966 1417299496 /nfs/dbraw/zinc/29/94/96/1417299496.db2.gz FYQAEVOOHUWJRK-UHFFFAOYSA-N 1 1 392.475 3.414 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000136204759 1417301123 /nfs/dbraw/zinc/30/11/23/1417301123.db2.gz LBZDWKYPJQPLRN-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000136204759 1417301134 /nfs/dbraw/zinc/30/11/34/1417301134.db2.gz LBZDWKYPJQPLRN-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000138535013 1417424384 /nfs/dbraw/zinc/42/43/84/1417424384.db2.gz FOGHWXQKEXLZNH-OAQYLSRUSA-N 1 1 397.479 3.391 20 30 GGEDMO N#Cc1ccnc(N2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC000139208427 1417452387 /nfs/dbraw/zinc/45/23/87/1417452387.db2.gz KSLFUKZACHPNFY-UHFFFAOYSA-N 1 1 385.471 3.249 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)CC1 ZINC000139286499 1417455137 /nfs/dbraw/zinc/45/51/37/1417455137.db2.gz MSGOLVFVFMOTKK-UHFFFAOYSA-N 1 1 394.494 3.197 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000139851955 1417477457 /nfs/dbraw/zinc/47/74/57/1417477457.db2.gz UZWLMASPQCXTKI-YJBOKZPZSA-N 1 1 386.565 3.243 20 30 GGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140219012 1417492470 /nfs/dbraw/zinc/49/24/70/1417492470.db2.gz WAHCIYRVHPVEQI-AEFFLSMTSA-N 1 1 383.517 3.415 20 30 GGEDMO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000141583716 1417545497 /nfs/dbraw/zinc/54/54/97/1417545497.db2.gz DZBPQQJRWGIWBE-NRFANRHFSA-N 1 1 375.472 3.448 20 30 GGEDMO C=CCc1cc(OC)cc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000178857658 1429198757 /nfs/dbraw/zinc/19/87/57/1429198757.db2.gz JDSBJTKWVFZBLQ-UHFFFAOYSA-N 1 1 384.451 3.226 20 30 GGEDMO N#Cc1ccccc1CSCCNc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000178863173 1429200947 /nfs/dbraw/zinc/20/09/47/1429200947.db2.gz BAVZSIHOBNNKEU-UHFFFAOYSA-N 1 1 387.472 3.427 20 30 GGEDMO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1c(F)cccc1F ZINC000150091670 1417784592 /nfs/dbraw/zinc/78/45/92/1417784592.db2.gz JKLTXOZWWNQIFY-UHFFFAOYSA-N 1 1 386.402 3.126 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1c(F)cccc1F ZINC000150091670 1417784597 /nfs/dbraw/zinc/78/45/97/1417784597.db2.gz JKLTXOZWWNQIFY-UHFFFAOYSA-N 1 1 386.402 3.126 20 30 GGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000150742183 1417796477 /nfs/dbraw/zinc/79/64/77/1417796477.db2.gz XNWGEPCPULOWJS-QGZVFWFLSA-N 1 1 381.442 3.334 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)cc1F ZINC000150997426 1417851957 /nfs/dbraw/zinc/85/19/57/1417851957.db2.gz OAXNVKDGPXVRAU-LPHOPBHVSA-N 1 1 385.464 3.002 20 30 GGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)cc1F ZINC000150997478 1417852172 /nfs/dbraw/zinc/85/21/72/1417852172.db2.gz OAXNVKDGPXVRAU-APWZRJJASA-N 1 1 385.464 3.002 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000151061435 1417864788 /nfs/dbraw/zinc/86/47/88/1417864788.db2.gz RKUSDEIDITVZLD-VQTJNVASSA-N 1 1 392.503 3.077 20 30 GGEDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000178914621 1429218757 /nfs/dbraw/zinc/21/87/57/1429218757.db2.gz DVSXOPUCVKBCEU-QGZVFWFLSA-N 1 1 380.410 3.175 20 30 GGEDMO CSCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000151147908 1417882517 /nfs/dbraw/zinc/88/25/17/1417882517.db2.gz BBGNCPAXUCMWCE-UHFFFAOYSA-N 1 1 388.512 3.397 20 30 GGEDMO CSCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000151147908 1417882518 /nfs/dbraw/zinc/88/25/18/1417882518.db2.gz BBGNCPAXUCMWCE-UHFFFAOYSA-N 1 1 388.512 3.397 20 30 GGEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000151189206 1417890750 /nfs/dbraw/zinc/89/07/50/1417890750.db2.gz FFBCXMCORDJZHU-IBGZPJMESA-N 1 1 379.508 3.247 20 30 GGEDMO CC[C@@H](NC(=O)CCc1ccc(C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151371727 1417940086 /nfs/dbraw/zinc/94/00/86/1417940086.db2.gz VDTMAFVPCHTOHB-PKTZIBPZSA-N 1 1 391.515 3.287 20 30 GGEDMO CC[C@@H](NC(=O)CCc1ccc(C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151371727 1417940089 /nfs/dbraw/zinc/94/00/89/1417940089.db2.gz VDTMAFVPCHTOHB-PKTZIBPZSA-N 1 1 391.515 3.287 20 30 GGEDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151498180 1418004321 /nfs/dbraw/zinc/00/43/21/1418004321.db2.gz BVFBZWZLUBJJCZ-UHFFFAOYSA-N 1 1 384.524 3.390 20 30 GGEDMO C[C@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)c1ncc(C(C)(C)C)o1 ZINC000151521148 1418012380 /nfs/dbraw/zinc/01/23/80/1418012380.db2.gz QPNSDUIPIVPPHE-AWEZNQCLSA-N 1 1 386.496 3.331 20 30 GGEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151725226 1418071570 /nfs/dbraw/zinc/07/15/70/1418071570.db2.gz YUISNVUUOPMITR-RDJZCZTQSA-N 1 1 385.489 3.422 20 30 GGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151725226 1418071579 /nfs/dbraw/zinc/07/15/79/1418071579.db2.gz YUISNVUUOPMITR-RDJZCZTQSA-N 1 1 385.489 3.422 20 30 GGEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151725170 1418071687 /nfs/dbraw/zinc/07/16/87/1418071687.db2.gz YUISNVUUOPMITR-WBVHZDCISA-N 1 1 385.489 3.422 20 30 GGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151725170 1418071695 /nfs/dbraw/zinc/07/16/95/1418071695.db2.gz YUISNVUUOPMITR-WBVHZDCISA-N 1 1 385.489 3.422 20 30 GGEDMO CN(C(=O)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000151807983 1418092024 /nfs/dbraw/zinc/09/20/24/1418092024.db2.gz FAEJMTAHMFHGBK-IBGZPJMESA-N 1 1 382.508 3.265 20 30 GGEDMO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CCC(=O)N(C)CCC#N)OCCO3 ZINC000179189113 1429290461 /nfs/dbraw/zinc/29/04/61/1429290461.db2.gz HFSWLCOAONNNHT-QGZVFWFLSA-N 1 1 397.519 3.408 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000179197736 1429292234 /nfs/dbraw/zinc/29/22/34/1429292234.db2.gz DQMQWASPNCSQFQ-UHFFFAOYSA-N 1 1 378.451 3.462 20 30 GGEDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000179397589 1429358348 /nfs/dbraw/zinc/35/83/48/1429358348.db2.gz IOWDUVFTFUREGI-UHFFFAOYSA-N 1 1 377.492 3.130 20 30 GGEDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)c1 ZINC000179398037 1429358959 /nfs/dbraw/zinc/35/89/59/1429358959.db2.gz LTAVPRNVEMAQHO-SFHVURJKSA-N 1 1 393.487 3.045 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179519188 1429407055 /nfs/dbraw/zinc/40/70/55/1429407055.db2.gz UAXFFGJEXXUUCB-WMZOPIPTSA-N 1 1 392.507 3.197 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179519188 1429407058 /nfs/dbraw/zinc/40/70/58/1429407058.db2.gz UAXFFGJEXXUUCB-WMZOPIPTSA-N 1 1 392.507 3.197 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179519198 1429407138 /nfs/dbraw/zinc/40/71/38/1429407138.db2.gz UAXFFGJEXXUUCB-AEFFLSMTSA-N 1 1 392.507 3.197 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179519198 1429407141 /nfs/dbraw/zinc/40/71/41/1429407141.db2.gz UAXFFGJEXXUUCB-AEFFLSMTSA-N 1 1 392.507 3.197 20 30 GGEDMO C[NH+]1CCN([C@@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)c2ccccc2)CC1 ZINC000179544836 1429421628 /nfs/dbraw/zinc/42/16/28/1429421628.db2.gz CWMNBYSZRPGGQQ-VQTJNVASSA-N 1 1 382.895 3.010 20 30 GGEDMO Cc1sc(NC(=O)C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c(C#N)c1C ZINC000179563571 1429435916 /nfs/dbraw/zinc/43/59/16/1429435916.db2.gz TZDRNEMFIZICTO-SFHVURJKSA-N 1 1 396.516 3.128 20 30 GGEDMO COc1ccc(OC)c(CN2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000179637800 1429484023 /nfs/dbraw/zinc/48/40/23/1429484023.db2.gz MGBZLFUJEHITKC-SFHVURJKSA-N 1 1 395.503 3.312 20 30 GGEDMO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000179666838 1429498620 /nfs/dbraw/zinc/49/86/20/1429498620.db2.gz XGZIZIKIXFOEDC-HNNXBMFYSA-N 1 1 375.394 3.261 20 30 GGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000179666838 1429498625 /nfs/dbraw/zinc/49/86/25/1429498625.db2.gz XGZIZIKIXFOEDC-HNNXBMFYSA-N 1 1 375.394 3.261 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)CC2(O)CCCC2)c1C#N ZINC000152324405 1422072940 /nfs/dbraw/zinc/07/29/40/1422072940.db2.gz SDCQTFQHEKDXHF-UHFFFAOYSA-N 1 1 380.492 3.141 20 30 GGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000179738236 1429530780 /nfs/dbraw/zinc/53/07/80/1429530780.db2.gz QJMPPTINIVGDCK-HNNXBMFYSA-N 1 1 376.497 3.476 20 30 GGEDMO C#CCCCCC(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000179744650 1429534254 /nfs/dbraw/zinc/53/42/54/1429534254.db2.gz APRSJRFYJIWYGP-UHFFFAOYSA-N 1 1 394.519 3.315 20 30 GGEDMO CC(C)Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1 ZINC000179748815 1429536729 /nfs/dbraw/zinc/53/67/29/1429536729.db2.gz WRGXLLQRGBTLLS-UHFFFAOYSA-N 1 1 392.503 3.205 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)c(C)n1 ZINC000179754156 1429540219 /nfs/dbraw/zinc/54/02/19/1429540219.db2.gz CIYSWBGSLDQDQS-LJQANCHMSA-N 1 1 378.476 3.094 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 ZINC000152744928 1422234382 /nfs/dbraw/zinc/23/43/82/1422234382.db2.gz IJLGOFRWYBUPTO-SFHVURJKSA-N 1 1 389.565 3.418 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000152785528 1422247395 /nfs/dbraw/zinc/24/73/95/1422247395.db2.gz PQPAFLCFCGBZPG-KRWDZBQOSA-N 1 1 375.538 3.223 20 30 GGEDMO C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C[NH+]1CCOCC1 ZINC000152802434 1422253744 /nfs/dbraw/zinc/25/37/44/1422253744.db2.gz NZWIORMZCIUHDO-QGZVFWFLSA-N 1 1 394.475 3.440 20 30 GGEDMO C[C@H](O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000153036845 1422335071 /nfs/dbraw/zinc/33/50/71/1422335071.db2.gz LZAGRSGUXBLVOR-LSDHHAIUSA-N 1 1 375.538 3.453 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1Cl ZINC000153079954 1422349607 /nfs/dbraw/zinc/34/96/07/1422349607.db2.gz LLCSRLHDHVMBRM-APWZRJJASA-N 1 1 375.900 3.396 20 30 GGEDMO Cc1ccccc1Nc1nc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000153257483 1422423331 /nfs/dbraw/zinc/42/33/31/1422423331.db2.gz KKTOLXGETMOUID-UHFFFAOYSA-N 1 1 381.509 3.437 20 30 GGEDMO Cc1ccccc1Nc1nc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000153257483 1422423337 /nfs/dbraw/zinc/42/33/37/1422423337.db2.gz KKTOLXGETMOUID-UHFFFAOYSA-N 1 1 381.509 3.437 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000153271809 1422431321 /nfs/dbraw/zinc/43/13/21/1422431321.db2.gz UDSMWXIPZYBGDR-OXQOHEQNSA-N 1 1 394.519 3.199 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000153271809 1422431341 /nfs/dbraw/zinc/43/13/41/1422431341.db2.gz UDSMWXIPZYBGDR-OXQOHEQNSA-N 1 1 394.519 3.199 20 30 GGEDMO CCOc1ccc(-c2nc(C[N@@H+](C)CCCc3[nH]nc(N)c3C#N)cs2)cc1 ZINC000153289762 1422443773 /nfs/dbraw/zinc/44/37/73/1422443773.db2.gz DMDVJCAQWBOJMP-UHFFFAOYSA-N 1 1 396.520 3.450 20 30 GGEDMO CC(C)c1ccc(-c2noc(C[N@@H+](C)CCCc3[nH]nc(N)c3C#N)n2)cc1 ZINC000153302507 1422452788 /nfs/dbraw/zinc/45/27/88/1422452788.db2.gz POBVKIMNDGOCMQ-UHFFFAOYSA-N 1 1 379.468 3.102 20 30 GGEDMO CCCc1[nH+]ccn1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000153532608 1422589907 /nfs/dbraw/zinc/58/99/07/1422589907.db2.gz QJOQQCYLITVWIY-INIZCTEOSA-N 1 1 395.507 3.205 20 30 GGEDMO C[C@@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000153612874 1422648017 /nfs/dbraw/zinc/64/80/17/1422648017.db2.gz PKEMXCYXHSLEMS-JMKVTYIUSA-N 1 1 389.402 3.179 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153679950 1422699862 /nfs/dbraw/zinc/69/98/62/1422699862.db2.gz GBGPWRZKAXRZTB-ICSRJNTNSA-N 1 1 397.519 3.201 20 30 GGEDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000153962705 1422817635 /nfs/dbraw/zinc/81/76/35/1422817635.db2.gz OQROCLYNBPUDLD-LJQANCHMSA-N 1 1 381.480 3.174 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC[C@@H]21 ZINC000153969428 1422819059 /nfs/dbraw/zinc/81/90/59/1422819059.db2.gz JQPWLWWIFGENHG-HKUYNNGSSA-N 1 1 379.460 3.287 20 30 GGEDMO Cc1c(C[NH+]2CCSCC2)cccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000153976212 1422819915 /nfs/dbraw/zinc/81/99/15/1422819915.db2.gz IRSFBJYOWWYOPG-UHFFFAOYSA-N 1 1 387.530 3.216 20 30 GGEDMO C[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C[NH+]1CCOCC1 ZINC000153993511 1422822470 /nfs/dbraw/zinc/82/24/70/1422822470.db2.gz OAXBDJBIIOWXLJ-QGZVFWFLSA-N 1 1 394.475 3.440 20 30 GGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000154098108 1422840119 /nfs/dbraw/zinc/84/01/19/1422840119.db2.gz UYLORPKABMAEMO-LJQANCHMSA-N 1 1 384.524 3.294 20 30 GGEDMO C=CCc1ccc(OCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000154113016 1422842231 /nfs/dbraw/zinc/84/22/31/1422842231.db2.gz XRKVGPGGXXJYTB-ICSRJNTNSA-N 1 1 384.520 3.278 20 30 GGEDMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000154345938 1422875934 /nfs/dbraw/zinc/87/59/34/1422875934.db2.gz VELHYWBDWBKKPB-VIFPVBQESA-N 1 1 396.435 3.454 20 30 GGEDMO COCCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154447130 1422889761 /nfs/dbraw/zinc/88/97/61/1422889761.db2.gz RCSTVNWREQEHHT-NRFANRHFSA-N 1 1 377.488 3.450 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000154535472 1422908900 /nfs/dbraw/zinc/90/89/00/1422908900.db2.gz MVZDPCCAPCAGSQ-GASCZTMLSA-N 1 1 390.915 3.024 20 30 GGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000154939474 1423085735 /nfs/dbraw/zinc/08/57/35/1423085735.db2.gz PGXFTTOBWDCWMK-UHFFFAOYSA-N 1 1 390.915 3.121 20 30 GGEDMO C=CCc1cc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc(OC)c1O ZINC000154998473 1423104627 /nfs/dbraw/zinc/10/46/27/1423104627.db2.gz SLSBFJGIFFRYRQ-GOSISDBHSA-N 1 1 375.490 3.005 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC[C@@H]21 ZINC000155106572 1423166724 /nfs/dbraw/zinc/16/67/24/1423166724.db2.gz GDISFCXJZMFTCW-PXNSSMCTSA-N 1 1 379.460 3.287 20 30 GGEDMO COc1cc(N[C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000155123087 1423181661 /nfs/dbraw/zinc/18/16/61/1423181661.db2.gz QJHHABNSQFQRDS-GCJKJVERSA-N 1 1 381.476 3.185 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1 ZINC000155154097 1423199598 /nfs/dbraw/zinc/19/95/98/1423199598.db2.gz VFYBMGHHEYESHD-UHFFFAOYSA-N 1 1 398.551 3.225 20 30 GGEDMO COCCCOc1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000155285824 1423299906 /nfs/dbraw/zinc/29/99/06/1423299906.db2.gz WGFVVIGUJOIBRO-HSZRJFAPSA-N 1 1 379.504 3.484 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155289956 1423301978 /nfs/dbraw/zinc/30/19/78/1423301978.db2.gz FKDOUMJZSFORKJ-INIZCTEOSA-N 1 1 383.414 3.039 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155289956 1423301993 /nfs/dbraw/zinc/30/19/93/1423301993.db2.gz FKDOUMJZSFORKJ-INIZCTEOSA-N 1 1 383.414 3.039 20 30 GGEDMO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000155328340 1423320210 /nfs/dbraw/zinc/32/02/10/1423320210.db2.gz TZQMFCAXLAHZHX-QFBILLFUSA-N 1 1 380.517 3.300 20 30 GGEDMO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000155328340 1423320219 /nfs/dbraw/zinc/32/02/19/1423320219.db2.gz TZQMFCAXLAHZHX-QFBILLFUSA-N 1 1 380.517 3.300 20 30 GGEDMO COCCC1(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCCC1 ZINC000155468462 1423376982 /nfs/dbraw/zinc/37/69/82/1423376982.db2.gz KDJUWNNCWSUKMM-UHFFFAOYSA-N 1 1 382.508 3.243 20 30 GGEDMO CN1CCC([N@@H+](CCO)Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000155494531 1423386399 /nfs/dbraw/zinc/38/63/99/1423386399.db2.gz YGMUDPXEWMKICQ-UHFFFAOYSA-N 1 1 379.504 3.026 20 30 GGEDMO C[NH+]1CCC(N(CCO)Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000155494531 1423386403 /nfs/dbraw/zinc/38/64/03/1423386403.db2.gz YGMUDPXEWMKICQ-UHFFFAOYSA-N 1 1 379.504 3.026 20 30 GGEDMO Cn1cc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179922924 1429643053 /nfs/dbraw/zinc/64/30/53/1429643053.db2.gz VDAWWTOMZWAJEV-UHFFFAOYSA-N 1 1 389.478 3.416 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155562354 1423419386 /nfs/dbraw/zinc/41/93/86/1423419386.db2.gz KWSGOIBIKGAVIJ-UHFFFAOYSA-N 1 1 377.554 3.434 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000155642260 1423464214 /nfs/dbraw/zinc/46/42/14/1423464214.db2.gz IGBZAGBUGQLJGF-CQSZACIVSA-N 1 1 391.397 3.000 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000155642260 1423464218 /nfs/dbraw/zinc/46/42/18/1423464218.db2.gz IGBZAGBUGQLJGF-CQSZACIVSA-N 1 1 391.397 3.000 20 30 GGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1C ZINC000155750382 1423516535 /nfs/dbraw/zinc/51/65/35/1423516535.db2.gz OGIWDPZEFXGDID-GOSISDBHSA-N 1 1 377.492 3.396 20 30 GGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1C ZINC000155750382 1423516548 /nfs/dbraw/zinc/51/65/48/1423516548.db2.gz OGIWDPZEFXGDID-GOSISDBHSA-N 1 1 377.492 3.396 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)CC[C@@H]21 ZINC000155774654 1423528840 /nfs/dbraw/zinc/52/88/40/1423528840.db2.gz DEICKYMOZZTESN-XLIONFOSSA-N 1 1 379.460 3.287 20 30 GGEDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000179944669 1429655142 /nfs/dbraw/zinc/65/51/42/1429655142.db2.gz RODJQIFLBDOEIW-AWEZNQCLSA-N 1 1 393.422 3.181 20 30 GGEDMO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179937499 1429651653 /nfs/dbraw/zinc/65/16/53/1429651653.db2.gz MHRVWYNDQGQURX-UHFFFAOYSA-N 1 1 399.498 3.307 20 30 GGEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000179944681 1429654812 /nfs/dbraw/zinc/65/48/12/1429654812.db2.gz RODJQIFLBDOEIW-CQSZACIVSA-N 1 1 393.422 3.181 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)CC2CCOCC2)c1C#N ZINC000155907811 1423590353 /nfs/dbraw/zinc/59/03/53/1423590353.db2.gz ULXNKTQWQKWRTB-UHFFFAOYSA-N 1 1 398.482 3.402 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1Cl ZINC000155922870 1423596045 /nfs/dbraw/zinc/59/60/45/1423596045.db2.gz MAMYQMYHOOLGAJ-FQEVSTJZSA-N 1 1 383.879 3.423 20 30 GGEDMO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000155989211 1423623344 /nfs/dbraw/zinc/62/33/44/1423623344.db2.gz AAECOETTXDSSEF-UHFFFAOYSA-N 1 1 388.471 3.266 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000156022271 1423637712 /nfs/dbraw/zinc/63/77/12/1423637712.db2.gz QWQHUWPIDXRKQW-UTKZUKDTSA-N 1 1 397.519 3.055 20 30 GGEDMO C[C@@H](CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000156169381 1423703835 /nfs/dbraw/zinc/70/38/35/1423703835.db2.gz SIJPPUOGDNBSAL-HNNXBMFYSA-N 1 1 398.894 3.177 20 30 GGEDMO C[N@H+](CCN1CCN(CCCOc2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000156307234 1423769585 /nfs/dbraw/zinc/76/95/85/1423769585.db2.gz QBBZOVMOVHOGLA-UHFFFAOYSA-N 1 1 392.547 3.077 20 30 GGEDMO C[N@@H+](CCN1CCN(CCCOc2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000156307234 1423769593 /nfs/dbraw/zinc/76/95/93/1423769593.db2.gz QBBZOVMOVHOGLA-UHFFFAOYSA-N 1 1 392.547 3.077 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000156560698 1423828651 /nfs/dbraw/zinc/82/86/51/1423828651.db2.gz XXPDNZYSDSBXDO-TZIWHRDSSA-N 1 1 379.508 3.330 20 30 GGEDMO N#CCCn1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(-c2ccccc2)n1 ZINC000179986025 1429675510 /nfs/dbraw/zinc/67/55/10/1429675510.db2.gz NBLAIYNOECDPIX-UHFFFAOYSA-N 1 1 397.486 3.053 20 30 GGEDMO N#Cc1cccc(OCCC[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000156640044 1423839416 /nfs/dbraw/zinc/83/94/16/1423839416.db2.gz OHBPPAYIRITJRN-UHFFFAOYSA-N 1 1 395.478 3.243 20 30 GGEDMO CC(C)[C@@H](CC[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000156653482 1423841824 /nfs/dbraw/zinc/84/18/24/1423841824.db2.gz HPASJDSRBPVADK-MOPGFXCFSA-N 1 1 375.513 3.463 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)nc1 ZINC000179987498 1429676395 /nfs/dbraw/zinc/67/63/95/1429676395.db2.gz PTKQNQJTJKGFJX-UHFFFAOYSA-N 1 1 389.415 3.444 20 30 GGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000179990378 1429678585 /nfs/dbraw/zinc/67/85/85/1429678585.db2.gz HQVWKRGMTXOHGR-SVMVAKDDSA-N 1 1 393.535 3.032 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000156840339 1423873608 /nfs/dbraw/zinc/87/36/08/1423873608.db2.gz NDERRRUNGSSWKL-MRXNPFEDSA-N 1 1 393.491 3.014 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000156840339 1423873610 /nfs/dbraw/zinc/87/36/10/1423873610.db2.gz NDERRRUNGSSWKL-MRXNPFEDSA-N 1 1 393.491 3.014 20 30 GGEDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000156901146 1423883067 /nfs/dbraw/zinc/88/30/67/1423883067.db2.gz KMFLNCKACDWHRX-UHFFFAOYSA-N 1 1 397.422 3.334 20 30 GGEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1O ZINC000156923114 1423886343 /nfs/dbraw/zinc/88/63/43/1423886343.db2.gz WJUNPMACYVSQGH-LBPRGKRZSA-N 1 1 385.489 3.282 20 30 GGEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1O ZINC000156923114 1423886349 /nfs/dbraw/zinc/88/63/49/1423886349.db2.gz WJUNPMACYVSQGH-LBPRGKRZSA-N 1 1 385.489 3.282 20 30 GGEDMO Cc1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1C#N ZINC000156928716 1423887812 /nfs/dbraw/zinc/88/78/12/1423887812.db2.gz JMMRDJYEZPEFRQ-INIZCTEOSA-N 1 1 389.546 3.119 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000156996854 1423899676 /nfs/dbraw/zinc/89/96/76/1423899676.db2.gz YTOHNWIZOYLMJR-OXJNMPFZSA-N 1 1 377.916 3.485 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000156996854 1423899679 /nfs/dbraw/zinc/89/96/79/1423899679.db2.gz YTOHNWIZOYLMJR-OXJNMPFZSA-N 1 1 377.916 3.485 20 30 GGEDMO C[C@@H]1C[C@H](N(C)CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000157062124 1423914341 /nfs/dbraw/zinc/91/43/41/1423914341.db2.gz QOPKYDHEPJJRFB-XMSQKQJNSA-N 1 1 376.504 3.482 20 30 GGEDMO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC1CCN(c2ccccn2)CC1 ZINC000157074974 1423918008 /nfs/dbraw/zinc/91/80/08/1423918008.db2.gz DBYOPLGBNCOKQL-UHFFFAOYSA-N 1 1 395.507 3.340 20 30 GGEDMO COc1cc(C#N)ccc1OCCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000157390229 1424000111 /nfs/dbraw/zinc/00/01/11/1424000111.db2.gz JBYHJJDPJQCMEF-UHFFFAOYSA-N 1 1 390.487 3.025 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000157390229 1424000116 /nfs/dbraw/zinc/00/01/16/1424000116.db2.gz JBYHJJDPJQCMEF-UHFFFAOYSA-N 1 1 390.487 3.025 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000157390229 1424000123 /nfs/dbraw/zinc/00/01/23/1424000123.db2.gz JBYHJJDPJQCMEF-UHFFFAOYSA-N 1 1 390.487 3.025 20 30 GGEDMO C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000157441568 1424011707 /nfs/dbraw/zinc/01/17/07/1424011707.db2.gz OTBBFYLKPFWWAN-KXBFYZLASA-N 1 1 381.501 3.158 20 30 GGEDMO C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157441568 1424011711 /nfs/dbraw/zinc/01/17/11/1424011711.db2.gz OTBBFYLKPFWWAN-KXBFYZLASA-N 1 1 381.501 3.158 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000157560797 1424038075 /nfs/dbraw/zinc/03/80/75/1424038075.db2.gz VQFITTGERBCISJ-CVEARBPZSA-N 1 1 395.956 3.487 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCOc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000157600382 1424045885 /nfs/dbraw/zinc/04/58/85/1424045885.db2.gz NQWZDPRTPBOUGF-UHFFFAOYSA-N 1 1 390.439 3.032 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCOc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000157600382 1424045892 /nfs/dbraw/zinc/04/58/92/1424045892.db2.gz NQWZDPRTPBOUGF-UHFFFAOYSA-N 1 1 390.439 3.032 20 30 GGEDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)c1 ZINC000157623024 1424051297 /nfs/dbraw/zinc/05/12/97/1424051297.db2.gz VAQHEEPXCMIDKW-UHFFFAOYSA-N 1 1 379.464 3.403 20 30 GGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000157739289 1424077942 /nfs/dbraw/zinc/07/79/42/1424077942.db2.gz VVQDTHVZWHIIJT-HNNXBMFYSA-N 1 1 384.867 3.466 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180020611 1429697393 /nfs/dbraw/zinc/69/73/93/1429697393.db2.gz OSGIQZXEESXBGW-FXAWDEMLSA-N 1 1 393.535 3.476 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180020639 1429697603 /nfs/dbraw/zinc/69/76/03/1429697603.db2.gz OSGIQZXEESXBGW-PXNSSMCTSA-N 1 1 393.535 3.476 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000157812429 1424093639 /nfs/dbraw/zinc/09/36/39/1424093639.db2.gz IPFGMSCBBMNLNA-HRAATJIYSA-N 1 1 379.460 3.108 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000157812429 1424093645 /nfs/dbraw/zinc/09/36/45/1424093645.db2.gz IPFGMSCBBMNLNA-HRAATJIYSA-N 1 1 379.460 3.108 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000157812581 1424093798 /nfs/dbraw/zinc/09/37/98/1424093798.db2.gz IPFGMSCBBMNLNA-IIBYNOLFSA-N 1 1 379.460 3.108 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000157812581 1424093807 /nfs/dbraw/zinc/09/38/07/1424093807.db2.gz IPFGMSCBBMNLNA-IIBYNOLFSA-N 1 1 379.460 3.108 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000157835899 1424099182 /nfs/dbraw/zinc/09/91/82/1424099182.db2.gz PERWJDLTNAGNJS-XLIONFOSSA-N 1 1 383.517 3.232 20 30 GGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000180024461 1429700110 /nfs/dbraw/zinc/70/01/10/1429700110.db2.gz IXSJRCIWYHYVPT-GOSISDBHSA-N 1 1 378.476 3.370 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000158081785 1424159538 /nfs/dbraw/zinc/15/95/38/1424159538.db2.gz JRUZAUWSCLPGHZ-QRWLVFNGSA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000158081785 1424159556 /nfs/dbraw/zinc/15/95/56/1424159556.db2.gz JRUZAUWSCLPGHZ-QRWLVFNGSA-N 1 1 380.448 3.191 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000158204278 1424194662 /nfs/dbraw/zinc/19/46/62/1424194662.db2.gz PKYUXOJTWDOUJR-IERDGZPVSA-N 1 1 394.475 3.500 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000158204278 1424194668 /nfs/dbraw/zinc/19/46/68/1424194668.db2.gz PKYUXOJTWDOUJR-IERDGZPVSA-N 1 1 394.475 3.500 20 30 GGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000180045504 1429711178 /nfs/dbraw/zinc/71/11/78/1429711178.db2.gz LUOQECYLPRWDDJ-QGZVFWFLSA-N 1 1 386.496 3.134 20 30 GGEDMO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)[nH]1 ZINC000158496036 1424272258 /nfs/dbraw/zinc/27/22/58/1424272258.db2.gz UJHJPWWEYROTGQ-LJQANCHMSA-N 1 1 376.485 3.477 20 30 GGEDMO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)[nH]1 ZINC000158496036 1424272264 /nfs/dbraw/zinc/27/22/64/1424272264.db2.gz UJHJPWWEYROTGQ-LJQANCHMSA-N 1 1 376.485 3.477 20 30 GGEDMO C=CCC[C@@H]([NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C)c1ccccc1 ZINC000180049295 1429713912 /nfs/dbraw/zinc/71/39/12/1429713912.db2.gz GDGRIGAQSKCBKK-OAHLLOKOSA-N 1 1 379.489 3.440 20 30 GGEDMO CCCC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000158609971 1424301726 /nfs/dbraw/zinc/30/17/26/1424301726.db2.gz ITVKNKNTKMZKLX-UHFFFAOYSA-N 1 1 397.567 3.040 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000158910513 1424369968 /nfs/dbraw/zinc/36/99/68/1424369968.db2.gz NMMTYHNFCBIKBK-YLJYHZDGSA-N 1 1 388.943 3.311 20 30 GGEDMO CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000158921750 1424372799 /nfs/dbraw/zinc/37/27/99/1424372799.db2.gz AZCZYTYEIUBLBW-YADHBBJMSA-N 1 1 397.567 3.037 20 30 GGEDMO CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000158921893 1424373052 /nfs/dbraw/zinc/37/30/52/1424373052.db2.gz AZCZYTYEIUBLBW-VXKWHMMOSA-N 1 1 397.567 3.037 20 30 GGEDMO N#CC1(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000159119390 1424421825 /nfs/dbraw/zinc/42/18/25/1424421825.db2.gz VGKJYJZHFCLVMG-YADHBBJMSA-N 1 1 394.563 3.316 20 30 GGEDMO C=CCNC(=O)[C@@H](C)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159351713 1424492955 /nfs/dbraw/zinc/49/29/55/1424492955.db2.gz CRKRSEDXGLPREX-OAHLLOKOSA-N 1 1 383.458 3.292 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000159492731 1424506896 /nfs/dbraw/zinc/50/68/96/1424506896.db2.gz IDOMIYBFKJVHTF-JXFKEZNVSA-N 1 1 398.482 3.136 20 30 GGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000159574360 1424514990 /nfs/dbraw/zinc/51/49/90/1424514990.db2.gz APYIPMOQLGPTQI-UHFFFAOYSA-N 1 1 393.487 3.229 20 30 GGEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000159687924 1424524311 /nfs/dbraw/zinc/52/43/11/1424524311.db2.gz ZCGNPJBDVBBKQB-UHFFFAOYSA-N 1 1 391.519 3.011 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCC[C@@H]1O ZINC000159847325 1424543248 /nfs/dbraw/zinc/54/32/48/1424543248.db2.gz LZFXDNMXSHVKFJ-PBHICJAKSA-N 1 1 375.538 3.310 20 30 GGEDMO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159905669 1424551945 /nfs/dbraw/zinc/55/19/45/1424551945.db2.gz CBAKPURPPSFFRU-UHFFFAOYSA-N 1 1 375.476 3.295 20 30 GGEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159905669 1424551952 /nfs/dbraw/zinc/55/19/52/1424551952.db2.gz CBAKPURPPSFFRU-UHFFFAOYSA-N 1 1 375.476 3.295 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000159984340 1424560028 /nfs/dbraw/zinc/56/00/28/1424560028.db2.gz TXTOKSSJHYOBQR-RXVVDRJESA-N 1 1 399.491 3.144 20 30 GGEDMO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000160029372 1424564444 /nfs/dbraw/zinc/56/44/44/1424564444.db2.gz GNFTZTMLRMDDBU-JOCHJYFZSA-N 1 1 392.503 3.406 20 30 GGEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000160029372 1424564451 /nfs/dbraw/zinc/56/44/51/1424564451.db2.gz GNFTZTMLRMDDBU-JOCHJYFZSA-N 1 1 392.503 3.406 20 30 GGEDMO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000160029230 1424564483 /nfs/dbraw/zinc/56/44/83/1424564483.db2.gz GNFTZTMLRMDDBU-QFIPXVFZSA-N 1 1 392.503 3.406 20 30 GGEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000160029230 1424564491 /nfs/dbraw/zinc/56/44/91/1424564491.db2.gz GNFTZTMLRMDDBU-QFIPXVFZSA-N 1 1 392.503 3.406 20 30 GGEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000160041010 1424565153 /nfs/dbraw/zinc/56/51/53/1424565153.db2.gz XOBKJLRLUDUSAU-AVRDEDQJSA-N 1 1 385.556 3.063 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000160205363 1424587121 /nfs/dbraw/zinc/58/71/21/1424587121.db2.gz BIFPNNCLBFEVPT-VLIAUNLRSA-N 1 1 398.438 3.330 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000160205363 1424587128 /nfs/dbraw/zinc/58/71/28/1424587128.db2.gz BIFPNNCLBFEVPT-VLIAUNLRSA-N 1 1 398.438 3.330 20 30 GGEDMO C#CCOc1ccc(C[N@H+](CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000160215810 1424588070 /nfs/dbraw/zinc/58/80/70/1424588070.db2.gz GICVBWVNPFIGIB-UHFFFAOYSA-N 1 1 379.460 3.118 20 30 GGEDMO C#CCOc1ccc(C[N@@H+](CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000160215810 1424588080 /nfs/dbraw/zinc/58/80/80/1424588080.db2.gz GICVBWVNPFIGIB-UHFFFAOYSA-N 1 1 379.460 3.118 20 30 GGEDMO C[C@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000160737944 1424630795 /nfs/dbraw/zinc/63/07/95/1424630795.db2.gz GNHVRBZIHKXMDY-QIJZPMMNSA-N 1 1 384.524 3.315 20 30 GGEDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000160913186 1424644066 /nfs/dbraw/zinc/64/40/66/1424644066.db2.gz ALVJCZXMHGRRSV-HDICACEKSA-N 1 1 399.535 3.063 20 30 GGEDMO CCC[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+]1CCOC ZINC000161151518 1424662702 /nfs/dbraw/zinc/66/27/02/1424662702.db2.gz UPHZQLQFHYUJLJ-OAHLLOKOSA-N 1 1 396.438 3.124 20 30 GGEDMO CCc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1CC(C)C ZINC000161167540 1424664749 /nfs/dbraw/zinc/66/47/49/1424664749.db2.gz LIBRIFYGYLJQDG-UHFFFAOYSA-N 1 1 393.535 3.321 20 30 GGEDMO CCc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1CC(C)C ZINC000161167540 1424664753 /nfs/dbraw/zinc/66/47/53/1424664753.db2.gz LIBRIFYGYLJQDG-UHFFFAOYSA-N 1 1 393.535 3.321 20 30 GGEDMO COc1ccc(C(F)(F)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000161167803 1424664780 /nfs/dbraw/zinc/66/47/80/1424664780.db2.gz KMXDWSOIVRMSAM-UHFFFAOYSA-N 1 1 399.441 3.393 20 30 GGEDMO COc1ccc(C(F)(F)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000161167803 1424664783 /nfs/dbraw/zinc/66/47/83/1424664783.db2.gz KMXDWSOIVRMSAM-UHFFFAOYSA-N 1 1 399.441 3.393 20 30 GGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000161429036 1424688782 /nfs/dbraw/zinc/68/87/82/1424688782.db2.gz YJSCCMAFGBIOOF-PZJWPPBQSA-N 1 1 396.462 3.226 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc1Cl ZINC000161450501 1424690219 /nfs/dbraw/zinc/69/02/19/1424690219.db2.gz UEKMXQJPYCGCIQ-MRXNPFEDSA-N 1 1 375.900 3.396 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)ccc1Cl ZINC000161450378 1424690647 /nfs/dbraw/zinc/69/06/47/1424690647.db2.gz UEKMXQJPYCGCIQ-INIZCTEOSA-N 1 1 375.900 3.396 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)C(=O)CNc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000161486623 1424694506 /nfs/dbraw/zinc/69/45/06/1424694506.db2.gz ZJGNDNBDMJJGPO-GCJKJVERSA-N 1 1 376.504 3.482 20 30 GGEDMO N#Cc1ccc(CCC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000161550670 1424707924 /nfs/dbraw/zinc/70/79/24/1424707924.db2.gz XLYOAYNEMQXUMC-UHFFFAOYSA-N 1 1 396.922 3.083 20 30 GGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000161881688 1424787205 /nfs/dbraw/zinc/78/72/05/1424787205.db2.gz QASQNVPDVDRQDF-MRXNPFEDSA-N 1 1 382.489 3.430 20 30 GGEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000162066679 1424813172 /nfs/dbraw/zinc/81/31/72/1424813172.db2.gz WFUPRLWSFRLIOZ-HOCLYGCPSA-N 1 1 375.469 3.150 20 30 GGEDMO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000162066679 1424813175 /nfs/dbraw/zinc/81/31/75/1424813175.db2.gz WFUPRLWSFRLIOZ-HOCLYGCPSA-N 1 1 375.469 3.150 20 30 GGEDMO Cc1cc[nH+]c(N2CCN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)CC2)c1 ZINC000162299367 1424835665 /nfs/dbraw/zinc/83/56/65/1424835665.db2.gz XTEJRIRHRUWPSW-UHFFFAOYSA-N 1 1 395.532 3.023 20 30 GGEDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162339655 1424839485 /nfs/dbraw/zinc/83/94/85/1424839485.db2.gz PONWKNTUTALUHN-CABCVRRESA-N 1 1 375.538 3.453 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2CO)c1C#N ZINC000162416270 1424849032 /nfs/dbraw/zinc/84/90/32/1424849032.db2.gz KSMUDDXMAKPNMW-OXQOHEQNSA-N 1 1 394.519 3.199 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2CO)c1C#N ZINC000162416270 1424849037 /nfs/dbraw/zinc/84/90/37/1424849037.db2.gz KSMUDDXMAKPNMW-OXQOHEQNSA-N 1 1 394.519 3.199 20 30 GGEDMO CC(C)(CCC#N)C[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000162554596 1424865681 /nfs/dbraw/zinc/86/56/81/1424865681.db2.gz BGULWMPQQSVEDX-UHFFFAOYSA-N 1 1 399.926 3.338 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H]2C(C)(C)O)c1C#N ZINC000162631364 1424873753 /nfs/dbraw/zinc/87/37/53/1424873753.db2.gz CLLBBMNNHCNBIQ-IBGZPJMESA-N 1 1 398.482 3.279 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CO)c1C#N ZINC000162953246 1424911827 /nfs/dbraw/zinc/91/18/27/1424911827.db2.gz OBTWJSNKWWKXDS-KKSFZXQISA-N 1 1 394.519 3.056 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c1C#N ZINC000162953246 1424911829 /nfs/dbraw/zinc/91/18/29/1424911829.db2.gz OBTWJSNKWWKXDS-KKSFZXQISA-N 1 1 394.519 3.056 20 30 GGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000163191021 1424955950 /nfs/dbraw/zinc/95/59/50/1424955950.db2.gz PCEAFHWGVBJLRP-UHFFFAOYSA-N 1 1 376.476 3.300 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000164073810 1425074299 /nfs/dbraw/zinc/07/42/99/1425074299.db2.gz KISOQSTZKHIABL-BEFAXECRSA-N 1 1 382.439 3.370 20 30 GGEDMO C=CCc1cc(C[N@@H+]2CCCN(c3nc(CC)ns3)CC2)c(O)c(OC)c1 ZINC000164432721 1425111673 /nfs/dbraw/zinc/11/16/73/1425111673.db2.gz DUPWSGROQHZMNN-UHFFFAOYSA-N 1 1 388.537 3.256 20 30 GGEDMO COc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164485788 1425117222 /nfs/dbraw/zinc/11/72/22/1425117222.db2.gz LIPBBZCQVBDCBF-HNNXBMFYSA-N 1 1 395.507 3.071 20 30 GGEDMO CN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000165540389 1425184721 /nfs/dbraw/zinc/18/47/21/1425184721.db2.gz PKORVZJBMQNACN-SFTDATJTSA-N 1 1 383.540 3.359 20 30 GGEDMO CCOc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000165549333 1425184852 /nfs/dbraw/zinc/18/48/52/1425184852.db2.gz YVHLUQVYUDDRIY-SFHVURJKSA-N 1 1 392.503 3.274 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])c(C#N)c3)C2)cc(OC)c1 ZINC000167080638 1425221659 /nfs/dbraw/zinc/22/16/59/1425221659.db2.gz HSWFGYPNXFBIAQ-QGZVFWFLSA-N 1 1 382.420 3.170 20 30 GGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1C ZINC000170647967 1425275704 /nfs/dbraw/zinc/27/57/04/1425275704.db2.gz YLQJURNBBAUNIW-QGZVFWFLSA-N 1 1 375.513 3.320 20 30 GGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1C ZINC000170647967 1425275710 /nfs/dbraw/zinc/27/57/10/1425275710.db2.gz YLQJURNBBAUNIW-QGZVFWFLSA-N 1 1 375.513 3.320 20 30 GGEDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000170652715 1425278449 /nfs/dbraw/zinc/27/84/49/1425278449.db2.gz RHANHOFZDYNNSM-SFHVURJKSA-N 1 1 386.496 3.218 20 30 GGEDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000170652866 1425278830 /nfs/dbraw/zinc/27/88/30/1425278830.db2.gz MNIJQVJDMFDLQF-HNNXBMFYSA-N 1 1 392.525 3.280 20 30 GGEDMO COc1cccc(C2CC[NH+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000170874171 1425376925 /nfs/dbraw/zinc/37/69/25/1425376925.db2.gz PANQFNYMPXQJRE-NRFANRHFSA-N 1 1 389.455 3.078 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170918842 1425392353 /nfs/dbraw/zinc/39/23/53/1425392353.db2.gz FHFQRFJTPPVMKF-NVXWUHKLSA-N 1 1 386.496 3.074 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170918842 1425392364 /nfs/dbraw/zinc/39/23/64/1425392364.db2.gz FHFQRFJTPPVMKF-NVXWUHKLSA-N 1 1 386.496 3.074 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1)C(=O)OC(C)(C)C ZINC000170919026 1425392534 /nfs/dbraw/zinc/39/25/34/1425392534.db2.gz 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CCCN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171105957 1425486180 /nfs/dbraw/zinc/48/61/80/1425486180.db2.gz PWRLODVVWNCJEB-HXUWFJFHSA-N 1 1 398.532 3.019 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000171142104 1425504702 /nfs/dbraw/zinc/50/47/02/1425504702.db2.gz YKNLTGQZMURYJJ-MOPGFXCFSA-N 1 1 385.508 3.024 20 30 GGEDMO C=CCOc1ccccc1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000171171292 1425524640 /nfs/dbraw/zinc/52/46/40/1425524640.db2.gz NKUWDDCOHKKEDP-SFHVURJKSA-N 1 1 393.487 3.201 20 30 GGEDMO COc1c(C)c[nH+]c(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)c1C ZINC000171235179 1425558349 /nfs/dbraw/zinc/55/83/49/1425558349.db2.gz CRQSQBNNUAVUCS-UHFFFAOYSA-N 1 1 387.487 3.449 20 30 GGEDMO CC(C)(C)c1ncc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000171314876 1425612748 /nfs/dbraw/zinc/61/27/48/1425612748.db2.gz UUACQPBKPOLAQS-UHFFFAOYSA-N 1 1 392.507 3.386 20 30 GGEDMO CC(C)(C)c1ncc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 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N#Cc1ccc(CN2CCC[N@H+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)cc1 ZINC000172384066 1426021562 /nfs/dbraw/zinc/02/15/62/1426021562.db2.gz RPQHDJWJYQPPEV-QFIPXVFZSA-N 1 1 390.487 3.091 20 30 GGEDMO N#CCCN(C(=O)CCC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000172417767 1426034378 /nfs/dbraw/zinc/03/43/78/1426034378.db2.gz XITAWMKCCPZBMV-UHFFFAOYSA-N 1 1 396.535 3.190 20 30 GGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172583674 1426097410 /nfs/dbraw/zinc/09/74/10/1426097410.db2.gz JVACNRGPBXXFJS-OAHLLOKOSA-N 1 1 386.565 3.386 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000172647521 1426125619 /nfs/dbraw/zinc/12/56/19/1426125619.db2.gz UHAARGWKQXZJJB-UHFFFAOYSA-N 1 1 385.508 3.057 20 30 GGEDMO CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000172752794 1426173665 /nfs/dbraw/zinc/17/36/65/1426173665.db2.gz PFSYHBGKLNOGHL-GOSISDBHSA-N 1 1 384.524 3.327 20 30 GGEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@H](CSc4ccccc4)C3)C2=O)cc1 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VNNNNRXNJRFINI-APWZRJJASA-N 1 1 389.546 3.290 20 30 GGEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(CCC#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000173338006 1426518229 /nfs/dbraw/zinc/51/82/29/1426518229.db2.gz QQGCASMYELEMIS-IEBWSBKVSA-N 1 1 380.496 3.314 20 30 GGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000173344988 1426523901 /nfs/dbraw/zinc/52/39/01/1426523901.db2.gz BCPVPSXAAAEBFB-UHFFFAOYSA-N 1 1 380.496 3.173 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(CCC#N)n1 ZINC000173353491 1426529667 /nfs/dbraw/zinc/52/96/67/1426529667.db2.gz XSIIPBGDTMKXIU-LJQANCHMSA-N 1 1 380.496 3.173 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)o2)cc1 ZINC000173354956 1426530740 /nfs/dbraw/zinc/53/07/40/1426530740.db2.gz XWJIHESYTVZDJW-IBGZPJMESA-N 1 1 390.443 3.495 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)o2)cc1 ZINC000173354956 1426530744 /nfs/dbraw/zinc/53/07/44/1426530744.db2.gz XWJIHESYTVZDJW-IBGZPJMESA-N 1 1 390.443 3.495 20 30 GGEDMO C=CCn1c(-c2ccco2)nn(CN2CC[C@@H](C[N@H+](C)CCC)C2)c1=S ZINC000173445566 1426625122 /nfs/dbraw/zinc/62/51/22/1426625122.db2.gz WOKJZVONLZSCJR-INIZCTEOSA-N 1 1 375.542 3.481 20 30 GGEDMO CC1CCN(C(=O)C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)CC1 ZINC000173547770 1426721238 /nfs/dbraw/zinc/72/12/38/1426721238.db2.gz HVIOFFXFKDIHBE-UHFFFAOYSA-N 1 1 393.491 3.079 20 30 GGEDMO CCCCN(C)C(=O)C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173548890 1426721804 /nfs/dbraw/zinc/72/18/04/1426721804.db2.gz RNTVWUVCFBPITF-UHFFFAOYSA-N 1 1 381.480 3.079 20 30 GGEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173591117 1426754929 /nfs/dbraw/zinc/75/49/29/1426754929.db2.gz KOPSRZAZJCGYOF-QAPCUYQASA-N 1 1 381.480 3.125 20 30 GGEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173591117 1426754943 /nfs/dbraw/zinc/75/49/43/1426754943.db2.gz KOPSRZAZJCGYOF-QAPCUYQASA-N 1 1 381.480 3.125 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000173655915 1426811974 /nfs/dbraw/zinc/81/19/74/1426811974.db2.gz XLUMRPSGLUSIHX-RBBKRZOGSA-N 1 1 375.472 3.202 20 30 GGEDMO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000173797899 1426853924 /nfs/dbraw/zinc/85/39/24/1426853924.db2.gz NSROQRXBDPHVQX-AEFFLSMTSA-N 1 1 391.487 3.096 20 30 GGEDMO CN(C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000173835052 1426864577 /nfs/dbraw/zinc/86/45/77/1426864577.db2.gz DEGMYXFAFPVOCR-KRWDZBQOSA-N 1 1 386.496 3.218 20 30 GGEDMO CN(C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000173835062 1426864822 /nfs/dbraw/zinc/86/48/22/1426864822.db2.gz DEGMYXFAFPVOCR-QGZVFWFLSA-N 1 1 386.496 3.218 20 30 GGEDMO CC(C)CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000173856466 1426872563 /nfs/dbraw/zinc/87/25/63/1426872563.db2.gz BKKVUEMCGSXWCJ-GOSISDBHSA-N 1 1 397.523 3.383 20 30 GGEDMO CC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000173899050 1426884549 /nfs/dbraw/zinc/88/45/49/1426884549.db2.gz QFJLEOLSMHVLJS-MRXNPFEDSA-N 1 1 388.581 3.491 20 30 GGEDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000173900528 1426884869 /nfs/dbraw/zinc/88/48/69/1426884869.db2.gz QEXSIRDERRSUNV-LJQANCHMSA-N 1 1 393.535 3.178 20 30 GGEDMO CCN(CC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1)C(=O)OC(C)(C)C ZINC000173928150 1426896027 /nfs/dbraw/zinc/89/60/27/1426896027.db2.gz BIGIFAWEVKOJSP-OAQYLSRUSA-N 1 1 394.560 3.010 20 30 GGEDMO Cc1oc(NC(=O)CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000173979925 1426923475 /nfs/dbraw/zinc/92/34/75/1426923475.db2.gz NPVMDBZDWHLCNZ-LJQANCHMSA-N 1 1 380.492 3.161 20 30 GGEDMO Cc1oc(NC(=O)CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000173979907 1426923646 /nfs/dbraw/zinc/92/36/46/1426923646.db2.gz NPVMDBZDWHLCNZ-IBGZPJMESA-N 1 1 380.492 3.161 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cc(C#N)ccc1F ZINC000174024838 1426951996 /nfs/dbraw/zinc/95/19/96/1426951996.db2.gz HFSHUYKOFZOXIH-LJQANCHMSA-N 1 1 380.467 3.361 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174039621 1426963456 /nfs/dbraw/zinc/96/34/56/1426963456.db2.gz LGGADZRNEQMJBT-FQEVSTJZSA-N 1 1 383.517 3.009 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000174084121 1426993779 /nfs/dbraw/zinc/99/37/79/1426993779.db2.gz UMELNLRPBJVZSA-SFHVURJKSA-N 1 1 383.517 3.152 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000174084121 1426993784 /nfs/dbraw/zinc/99/37/84/1426993784.db2.gz UMELNLRPBJVZSA-SFHVURJKSA-N 1 1 383.517 3.152 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@@H]3CCCOC3)sc2C1 ZINC000174148469 1427021429 /nfs/dbraw/zinc/02/14/29/1427021429.db2.gz AWRXBVMVBCFROH-CABCVRRESA-N 1 1 375.538 3.432 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2CCO)c1C#N ZINC000174157893 1427025452 /nfs/dbraw/zinc/02/54/52/1427025452.db2.gz HGTGDGDWOUXLHP-GOSISDBHSA-N 1 1 380.492 3.141 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@@H]2CCO)c1C#N ZINC000174157893 1427025459 /nfs/dbraw/zinc/02/54/59/1427025459.db2.gz HGTGDGDWOUXLHP-GOSISDBHSA-N 1 1 380.492 3.141 20 30 GGEDMO COc1ccc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1C#N ZINC000174257287 1427072935 /nfs/dbraw/zinc/07/29/35/1427072935.db2.gz HDIQXKABLDBRKS-QZTJIDSGSA-N 1 1 379.504 3.466 20 30 GGEDMO N#Cc1ccc(CNCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000174264452 1427075105 /nfs/dbraw/zinc/07/51/05/1427075105.db2.gz KVLAIHUPSOMGDZ-UHFFFAOYSA-N 1 1 392.425 3.472 20 30 GGEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)o1 ZINC000174277865 1427081403 /nfs/dbraw/zinc/08/14/03/1427081403.db2.gz CJMBICYSZWXURV-UHFFFAOYSA-N 1 1 391.450 3.302 20 30 GGEDMO N#Cc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)o1 ZINC000174300489 1427091365 /nfs/dbraw/zinc/09/13/65/1427091365.db2.gz ZJDWTXDHUCMEEG-UHFFFAOYSA-N 1 1 399.447 3.059 20 30 GGEDMO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC1CCN(c2ccccn2)CC1 ZINC000174392785 1427135540 /nfs/dbraw/zinc/13/55/40/1427135540.db2.gz OJCDSJRXXPVNEP-UHFFFAOYSA-N 1 1 397.567 3.305 20 30 GGEDMO C[C@@H](CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000174410541 1427146040 /nfs/dbraw/zinc/14/60/40/1427146040.db2.gz CASVCEPPGOPSIZ-HNNXBMFYSA-N 1 1 398.894 3.177 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)C[C@H](C)O1 ZINC000174428149 1427152044 /nfs/dbraw/zinc/15/20/44/1427152044.db2.gz RPCWZOSQFAKKKN-IYBDPMFKSA-N 1 1 381.451 3.237 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)C[C@H](C)O1 ZINC000174428149 1427152053 /nfs/dbraw/zinc/15/20/53/1427152053.db2.gz RPCWZOSQFAKKKN-IYBDPMFKSA-N 1 1 381.451 3.237 20 30 GGEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cc(Br)ccc1O ZINC000174426833 1427152381 /nfs/dbraw/zinc/15/23/81/1427152381.db2.gz UVAXWKXOQYPFAZ-QGZVFWFLSA-N 1 1 382.302 3.031 20 30 GGEDMO COCC[NH+]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000174495095 1427181688 /nfs/dbraw/zinc/18/16/88/1427181688.db2.gz HXFLPPNEAYTWEO-UHFFFAOYSA-N 1 1 398.438 3.286 20 30 GGEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000174572944 1427232933 /nfs/dbraw/zinc/23/29/33/1427232933.db2.gz OVPBCIWJEVLEMJ-FQEVSTJZSA-N 1 1 399.878 3.450 20 30 GGEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000174572944 1427232937 /nfs/dbraw/zinc/23/29/37/1427232937.db2.gz OVPBCIWJEVLEMJ-FQEVSTJZSA-N 1 1 399.878 3.450 20 30 GGEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000174572958 1427233060 /nfs/dbraw/zinc/23/30/60/1427233060.db2.gz OVPBCIWJEVLEMJ-HXUWFJFHSA-N 1 1 399.878 3.450 20 30 GGEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000174572958 1427233069 /nfs/dbraw/zinc/23/30/69/1427233069.db2.gz OVPBCIWJEVLEMJ-HXUWFJFHSA-N 1 1 399.878 3.450 20 30 GGEDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000174594545 1427247096 /nfs/dbraw/zinc/24/70/96/1427247096.db2.gz KNAXCDIQZKDDTC-UHFFFAOYSA-N 1 1 375.476 3.221 20 30 GGEDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000174594545 1427247102 /nfs/dbraw/zinc/24/71/02/1427247102.db2.gz KNAXCDIQZKDDTC-UHFFFAOYSA-N 1 1 375.476 3.221 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000174621185 1427268483 /nfs/dbraw/zinc/26/84/83/1427268483.db2.gz VTDLWQOJAHDNPK-INIZCTEOSA-N 1 1 389.459 3.471 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000174621185 1427268488 /nfs/dbraw/zinc/26/84/88/1427268488.db2.gz VTDLWQOJAHDNPK-INIZCTEOSA-N 1 1 389.459 3.471 20 30 GGEDMO Cc1ccccc1NC(=O)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000174710406 1427323346 /nfs/dbraw/zinc/32/33/46/1427323346.db2.gz ZXWVSVJWYUQIRD-UHFFFAOYSA-N 1 1 376.504 3.403 20 30 GGEDMO COc1cccc(NC(=O)CC[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000174732053 1427336792 /nfs/dbraw/zinc/33/67/92/1427336792.db2.gz PISQIPVFJQQEKT-UHFFFAOYSA-N 1 1 378.476 3.108 20 30 GGEDMO CC[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[N@H+]1C[C@@H](C)O ZINC000174733566 1427338221 /nfs/dbraw/zinc/33/82/21/1427338221.db2.gz YFZTXUYGIRPKEJ-OCCSQVGLSA-N 1 1 376.863 3.180 20 30 GGEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000174744213 1427344602 /nfs/dbraw/zinc/34/46/02/1427344602.db2.gz OMWUJXVQEVNRHQ-UHFFFAOYSA-N 1 1 392.503 3.345 20 30 GGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000174774821 1427359956 /nfs/dbraw/zinc/35/99/56/1427359956.db2.gz MVLTZCPLDFABBN-GOSISDBHSA-N 1 1 392.507 3.084 20 30 GGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000174774810 1427360027 /nfs/dbraw/zinc/36/00/27/1427360027.db2.gz MVLTZCPLDFABBN-SFHVURJKSA-N 1 1 392.507 3.084 20 30 GGEDMO CC(C)(CNC(=O)NCc1cc(C#N)ccc1F)[N@H+]1CCc2ccccc2C1 ZINC000174798143 1427374873 /nfs/dbraw/zinc/37/48/73/1427374873.db2.gz LCYTXMHGDZSQIE-UHFFFAOYSA-N 1 1 380.467 3.333 20 30 GGEDMO CN(C(=O)C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1)C1(C#N)CCCCC1 ZINC000174827972 1427390319 /nfs/dbraw/zinc/39/03/19/1427390319.db2.gz FMQSHSSUKHQCJK-UHFFFAOYSA-N 1 1 392.544 3.003 20 30 GGEDMO N#C[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000174840702 1427399113 /nfs/dbraw/zinc/39/91/13/1427399113.db2.gz NEXNGEWVHLDIIS-PXNSSMCTSA-N 1 1 383.879 3.312 20 30 GGEDMO N#C[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000174840702 1427399121 /nfs/dbraw/zinc/39/91/21/1427399121.db2.gz NEXNGEWVHLDIIS-PXNSSMCTSA-N 1 1 383.879 3.312 20 30 GGEDMO C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174925220 1427448190 /nfs/dbraw/zinc/44/81/90/1427448190.db2.gz FFQJWRQTEOTQMC-YADARESESA-N 1 1 391.515 3.147 20 30 GGEDMO C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174925220 1427448196 /nfs/dbraw/zinc/44/81/96/1427448196.db2.gz FFQJWRQTEOTQMC-YADARESESA-N 1 1 391.515 3.147 20 30 GGEDMO C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174925189 1427448452 /nfs/dbraw/zinc/44/84/52/1427448452.db2.gz FFQJWRQTEOTQMC-CYFREDJKSA-N 1 1 391.515 3.147 20 30 GGEDMO C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174925189 1427448458 /nfs/dbraw/zinc/44/84/58/1427448458.db2.gz FFQJWRQTEOTQMC-CYFREDJKSA-N 1 1 391.515 3.147 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174954429 1427465017 /nfs/dbraw/zinc/46/50/17/1427465017.db2.gz WYBOQGBWEBXUKY-OAQYLSRUSA-N 1 1 376.504 3.483 20 30 GGEDMO CN(CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174954429 1427465020 /nfs/dbraw/zinc/46/50/20/1427465020.db2.gz WYBOQGBWEBXUKY-OAQYLSRUSA-N 1 1 376.504 3.483 20 30 GGEDMO CN(CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174954429 1427465027 /nfs/dbraw/zinc/46/50/27/1427465027.db2.gz WYBOQGBWEBXUKY-OAQYLSRUSA-N 1 1 376.504 3.483 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@@]34CCc3ccccc34)CC2)cc1 ZINC000175087100 1427539291 /nfs/dbraw/zinc/53/92/91/1427539291.db2.gz CPFGQTMZGSLJLG-ILBGXUMGSA-N 1 1 385.511 3.497 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@@]34CCc3ccccc34)CC2)cc1 ZINC000175087100 1427539294 /nfs/dbraw/zinc/53/92/94/1427539294.db2.gz CPFGQTMZGSLJLG-ILBGXUMGSA-N 1 1 385.511 3.497 20 30 GGEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)cc1 ZINC000175100586 1427546691 /nfs/dbraw/zinc/54/66/91/1427546691.db2.gz CSODSSHGQNPJCH-UHFFFAOYSA-N 1 1 394.475 3.246 20 30 GGEDMO N#Cc1ccccc1Sc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000175103884 1427548550 /nfs/dbraw/zinc/54/85/50/1427548550.db2.gz QOTOYQOATXSNAP-UHFFFAOYSA-N 1 1 381.501 3.162 20 30 GGEDMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000175120541 1427557866 /nfs/dbraw/zinc/55/78/66/1427557866.db2.gz DIVVCJGMZBLIDA-HNNXBMFYSA-N 1 1 399.520 3.121 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175156729 1427572972 /nfs/dbraw/zinc/57/29/72/1427572972.db2.gz LEJAOGTZSKDLTK-HXUWFJFHSA-N 1 1 393.487 3.230 20 30 GGEDMO CCOc1ccc(C#N)cc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000175162102 1427575534 /nfs/dbraw/zinc/57/55/34/1427575534.db2.gz ZFGKYZFLSNZQPX-IBGZPJMESA-N 1 1 379.460 3.187 20 30 GGEDMO CCOc1ccc(C#N)cc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000175162102 1427575536 /nfs/dbraw/zinc/57/55/36/1427575536.db2.gz ZFGKYZFLSNZQPX-IBGZPJMESA-N 1 1 379.460 3.187 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000175201559 1427596352 /nfs/dbraw/zinc/59/63/52/1427596352.db2.gz KGIPXGKGBXIOEN-XNTDXEJSSA-N 1 1 399.491 3.206 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000175201559 1427596356 /nfs/dbraw/zinc/59/63/56/1427596356.db2.gz KGIPXGKGBXIOEN-XNTDXEJSSA-N 1 1 399.491 3.206 20 30 GGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1C#N ZINC000175270711 1427638495 /nfs/dbraw/zinc/63/84/95/1427638495.db2.gz GJRICLYQJNNEJG-QGZVFWFLSA-N 1 1 399.539 3.008 20 30 GGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)c1C#N ZINC000175270711 1427638500 /nfs/dbraw/zinc/63/85/00/1427638500.db2.gz GJRICLYQJNNEJG-QGZVFWFLSA-N 1 1 399.539 3.008 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000175495573 1427788529 /nfs/dbraw/zinc/78/85/29/1427788529.db2.gz QKGIOIGMXGNVSR-NQIIRXRSSA-N 1 1 392.503 3.441 20 30 GGEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175498796 1427791272 /nfs/dbraw/zinc/79/12/72/1427791272.db2.gz LJPSRPTVGJUSGW-HNNXBMFYSA-N 1 1 385.431 3.382 20 30 GGEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175498796 1427791275 /nfs/dbraw/zinc/79/12/75/1427791275.db2.gz LJPSRPTVGJUSGW-HNNXBMFYSA-N 1 1 385.431 3.382 20 30 GGEDMO COC(=O)[C@H](c1ccccc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000175523696 1427803323 /nfs/dbraw/zinc/80/33/23/1427803323.db2.gz IQHYPKRFOCFLJN-NRFANRHFSA-N 1 1 381.451 3.119 20 30 GGEDMO N#CCSCC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175535030 1427806842 /nfs/dbraw/zinc/80/68/42/1427806842.db2.gz SQACNMOSHBMOKL-INIZCTEOSA-N 1 1 385.455 3.156 20 30 GGEDMO Cc1cccc2nc(CCC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)[nH]c21 ZINC000175589175 1427823418 /nfs/dbraw/zinc/82/34/18/1427823418.db2.gz AZHXVPQXLKAPAD-UHFFFAOYSA-N 1 1 389.503 3.266 20 30 GGEDMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000175590617 1427824642 /nfs/dbraw/zinc/82/46/42/1427824642.db2.gz UBEDSDKCSFCMTR-UHFFFAOYSA-N 1 1 395.528 3.238 20 30 GGEDMO CCO[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000175667850 1427850751 /nfs/dbraw/zinc/85/07/51/1427850751.db2.gz HTLKVGCDODXLQP-SFTDATJTSA-N 1 1 396.535 3.123 20 30 GGEDMO C[S@](=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000175732960 1427872945 /nfs/dbraw/zinc/87/29/45/1427872945.db2.gz DKZICXBHKIKGBC-NDEPHWFRSA-N 1 1 396.516 3.035 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175845768 1427927836 /nfs/dbraw/zinc/92/78/36/1427927836.db2.gz AOJZSDWIVUEBNE-YLJYHZDGSA-N 1 1 383.517 3.198 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175858242 1427936313 /nfs/dbraw/zinc/93/63/13/1427936313.db2.gz DTJNGLLTSMBNMK-UWVAXJGDSA-N 1 1 377.554 3.471 20 30 GGEDMO C=C(Br)CNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175960569 1427999727 /nfs/dbraw/zinc/99/97/27/1427999727.db2.gz ZIHBYZLBSGMXSH-KRWDZBQOSA-N 1 1 380.330 3.449 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000176075491 1428069384 /nfs/dbraw/zinc/06/93/84/1428069384.db2.gz KJMFTUXFJFWFMD-HXUWFJFHSA-N 1 1 381.451 3.345 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000176075491 1428069392 /nfs/dbraw/zinc/06/93/92/1428069392.db2.gz KJMFTUXFJFWFMD-HXUWFJFHSA-N 1 1 381.451 3.345 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176119917 1428094864 /nfs/dbraw/zinc/09/48/64/1428094864.db2.gz OPFYWCPQBISUFI-WIYYLYMNSA-N 1 1 377.488 3.301 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176119946 1428094946 /nfs/dbraw/zinc/09/49/46/1428094946.db2.gz OPFYWCPQBISUFI-NQIIRXRSSA-N 1 1 377.488 3.301 20 30 GGEDMO N#CCOc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000176204303 1428165589 /nfs/dbraw/zinc/16/55/89/1428165589.db2.gz DZAHLDYPISJHII-OAQYLSRUSA-N 1 1 381.451 3.399 20 30 GGEDMO N#CCOc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000176204303 1428165598 /nfs/dbraw/zinc/16/55/98/1428165598.db2.gz DZAHLDYPISJHII-OAQYLSRUSA-N 1 1 381.451 3.399 20 30 GGEDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C[C@H](C)O1 ZINC000180229571 1429808625 /nfs/dbraw/zinc/80/86/25/1429808625.db2.gz JQMKQGMITIJGJO-HDICACEKSA-N 1 1 381.520 3.203 20 30 GGEDMO COC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000180234601 1429810270 /nfs/dbraw/zinc/81/02/70/1429810270.db2.gz HSISQKDZJJRKGH-PMACEKPBSA-N 1 1 385.414 3.309 20 30 GGEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)c1 ZINC000180241556 1429812394 /nfs/dbraw/zinc/81/23/94/1429812394.db2.gz LEMMFCFBLBMBAM-UHFFFAOYSA-N 1 1 392.503 3.435 20 30 GGEDMO Cn1cc(CNc2cccc(C[NH+]3CCOCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180320303 1429835603 /nfs/dbraw/zinc/83/56/03/1429835603.db2.gz UBEPLSFLGXLTRC-UHFFFAOYSA-N 1 1 387.487 3.403 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000180411920 1429861309 /nfs/dbraw/zinc/86/13/09/1429861309.db2.gz IHMLWWYLXOKFNN-ZWKOTPCHSA-N 1 1 399.535 3.349 20 30 GGEDMO C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180411563 1429861320 /nfs/dbraw/zinc/86/13/20/1429861320.db2.gz LOFZOIDVBJPUDY-DLBZAZTESA-N 1 1 396.535 3.195 20 30 GGEDMO CCC[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@H+]1CCOC ZINC000180464934 1429875579 /nfs/dbraw/zinc/87/55/79/1429875579.db2.gz GDUYTTSTRIKDFI-QFIPXVFZSA-N 1 1 395.551 3.396 20 30 GGEDMO CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000180476777 1429878807 /nfs/dbraw/zinc/87/88/07/1429878807.db2.gz ALPRSYXDCGHGOI-KORDQABASA-N 1 1 389.499 3.359 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCN(CC(F)F)CC1)CCCC2 ZINC000180580244 1429909140 /nfs/dbraw/zinc/90/91/40/1429909140.db2.gz UOWLFQBXJZBEJQ-UHFFFAOYSA-N 1 1 396.507 3.100 20 30 GGEDMO CC(C)Oc1ccc(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1C#N ZINC000180596580 1429921321 /nfs/dbraw/zinc/92/13/21/1429921321.db2.gz FXWVBLZVHMANTK-UHFFFAOYSA-N 1 1 388.512 3.168 20 30 GGEDMO CN(CCC#N)c1ccc(C[NH+]2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000180797323 1430045967 /nfs/dbraw/zinc/04/59/67/1430045967.db2.gz AJJIQVQUZPEMIB-UHFFFAOYSA-N 1 1 384.568 3.361 20 30 GGEDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000180827881 1430060487 /nfs/dbraw/zinc/06/04/87/1430060487.db2.gz HJUVOMVCWBDQBE-QFIPXVFZSA-N 1 1 377.488 3.437 20 30 GGEDMO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000180961237 1430137715 /nfs/dbraw/zinc/13/77/15/1430137715.db2.gz JGMJOPUHYIEQBC-RCCFBDPRSA-N 1 1 387.524 3.095 20 30 GGEDMO N#Cc1cc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c[nH]1 ZINC000181215811 1430249866 /nfs/dbraw/zinc/24/98/66/1430249866.db2.gz LIINMEWEUJYMCB-LJQANCHMSA-N 1 1 376.485 3.477 20 30 GGEDMO N#Cc1cc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c[nH]1 ZINC000181215811 1430249868 /nfs/dbraw/zinc/24/98/68/1430249868.db2.gz LIINMEWEUJYMCB-LJQANCHMSA-N 1 1 376.485 3.477 20 30 GGEDMO N#CCOc1ccc(CC(=O)O[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCC4)C2)cc1 ZINC000181292878 1430265133 /nfs/dbraw/zinc/26/51/33/1430265133.db2.gz AHYJAQDQVFQDEB-QHCPKHFHSA-N 1 1 390.483 3.438 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1C#N ZINC000181448323 1430301708 /nfs/dbraw/zinc/30/17/08/1430301708.db2.gz KJGYREBNTPAKOC-XLIONFOSSA-N 1 1 398.507 3.039 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCCC[C@@H]1O ZINC000181473629 1430307031 /nfs/dbraw/zinc/30/70/31/1430307031.db2.gz QKXHTSRSYJGIIX-PBHICJAKSA-N 1 1 375.538 3.310 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181484796 1430308636 /nfs/dbraw/zinc/30/86/36/1430308636.db2.gz ALKIURKKMPGCGT-LPHOPBHVSA-N 1 1 385.556 3.115 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)ccc1Cl ZINC000181485198 1430308680 /nfs/dbraw/zinc/30/86/80/1430308680.db2.gz DLBVKEOQSSCOSS-LPHOPBHVSA-N 1 1 377.916 3.378 20 30 GGEDMO C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181633346 1430331656 /nfs/dbraw/zinc/33/16/56/1430331656.db2.gz RMLDVDLIYXFFEN-SFHVURJKSA-N 1 1 390.547 3.043 20 30 GGEDMO N#CCC[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000181700813 1430343881 /nfs/dbraw/zinc/34/38/81/1430343881.db2.gz IOAGDPREAIZFHV-FCHUYYIVSA-N 1 1 392.503 3.097 20 30 GGEDMO CC1(C)C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000181833812 1430369538 /nfs/dbraw/zinc/36/95/38/1430369538.db2.gz OLKPYYINBJXGQO-LJQANCHMSA-N 1 1 384.524 3.122 20 30 GGEDMO CC1(C)C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000181833790 1430369571 /nfs/dbraw/zinc/36/95/71/1430369571.db2.gz OLKPYYINBJXGQO-IBGZPJMESA-N 1 1 384.524 3.122 20 30 GGEDMO C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000181995757 1430393484 /nfs/dbraw/zinc/39/34/84/1430393484.db2.gz PQSIVFDKECQQBR-FDDCHVKYSA-N 1 1 388.515 3.306 20 30 GGEDMO COc1cc(/C=C/C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)ccc1OCC#N ZINC000182073245 1430406301 /nfs/dbraw/zinc/40/63/01/1430406301.db2.gz RDWQGQFJKAICAY-NCUBBLFSSA-N 1 1 393.487 3.247 20 30 GGEDMO C=CCOc1ccccc1C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000182569953 1430494888 /nfs/dbraw/zinc/49/48/88/1430494888.db2.gz AVMVKPWSMRGOKD-UHFFFAOYSA-N 1 1 393.487 3.168 20 30 GGEDMO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000182574534 1430495740 /nfs/dbraw/zinc/49/57/40/1430495740.db2.gz WFAUTVFVWOUPIJ-KRWDZBQOSA-N 1 1 384.524 3.246 20 30 GGEDMO C[C@@H](CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000182691437 1430518550 /nfs/dbraw/zinc/51/85/50/1430518550.db2.gz VVWFNAYPIFQPLL-FQEVSTJZSA-N 1 1 397.567 3.040 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(cccc3OC)C2)c(OC)c1 ZINC000182715970 1430525538 /nfs/dbraw/zinc/52/55/38/1430525538.db2.gz ZXNDQLPFHZYXLR-LJQANCHMSA-N 1 1 383.488 3.230 20 30 GGEDMO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182770118 1430536850 /nfs/dbraw/zinc/53/68/50/1430536850.db2.gz PLPNAYQTGMDAOT-PXNSSMCTSA-N 1 1 394.544 3.076 20 30 GGEDMO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822902 1430547166 /nfs/dbraw/zinc/54/71/66/1430547166.db2.gz OXGXMXGTEZCULT-MJGOQNOKSA-N 1 1 396.535 3.436 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182833453 1430549632 /nfs/dbraw/zinc/54/96/32/1430549632.db2.gz VMIFTOBSDFEVMN-INIZCTEOSA-N 1 1 391.397 3.439 20 30 GGEDMO CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182859314 1430555592 /nfs/dbraw/zinc/55/55/92/1430555592.db2.gz XANPSRFEDWNHCY-IBGZPJMESA-N 1 1 398.507 3.043 20 30 GGEDMO N#Cc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC000182882006 1430561261 /nfs/dbraw/zinc/56/12/61/1430561261.db2.gz JTTXICUQFXUXJZ-LJQANCHMSA-N 1 1 398.894 3.490 20 30 GGEDMO C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182926433 1430573667 /nfs/dbraw/zinc/57/36/67/1430573667.db2.gz GQOHVFKDXJSMJU-ICSRJNTNSA-N 1 1 395.551 3.043 20 30 GGEDMO CCCCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O ZINC000183044999 1430599347 /nfs/dbraw/zinc/59/93/47/1430599347.db2.gz BAGKXBLEWNCPTM-UHFFFAOYSA-N 1 1 390.553 3.195 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183182773 1430641553 /nfs/dbraw/zinc/64/15/53/1430641553.db2.gz ZRDYLODEVDVYLK-ZDUSSCGKSA-N 1 1 391.397 3.438 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183198040 1430645697 /nfs/dbraw/zinc/64/56/97/1430645697.db2.gz ZQJKWXFYNJVLBV-ZDUSSCGKSA-N 1 1 391.397 3.438 20 30 GGEDMO COc1ccccc1N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000183295944 1430671815 /nfs/dbraw/zinc/67/18/15/1430671815.db2.gz NDSFKKHESGMBJQ-UHFFFAOYSA-N 1 1 387.487 3.290 20 30 GGEDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000183485987 1430724297 /nfs/dbraw/zinc/72/42/97/1430724297.db2.gz BVQOCJAXNGZYRX-OAHLLOKOSA-N 1 1 385.439 3.440 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000183662976 1430766695 /nfs/dbraw/zinc/76/66/95/1430766695.db2.gz RNXRDMHAJDFVGW-RDJZCZTQSA-N 1 1 395.956 3.487 20 30 GGEDMO CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183762656 1430788302 /nfs/dbraw/zinc/78/83/02/1430788302.db2.gz YKLYVHHIPLXKST-LJQANCHMSA-N 1 1 380.492 3.303 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183850895 1430804949 /nfs/dbraw/zinc/80/49/49/1430804949.db2.gz KDKPHWLQBWUHBD-OALUTQOASA-N 1 1 385.508 3.105 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183885922 1430808802 /nfs/dbraw/zinc/80/88/02/1430808802.db2.gz UIBWMBXNUHAVDE-IBGZPJMESA-N 1 1 385.508 3.025 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1C ZINC000183894889 1430809828 /nfs/dbraw/zinc/80/98/28/1430809828.db2.gz QEPPQZHJXKLPOU-IBGZPJMESA-N 1 1 385.508 3.025 20 30 GGEDMO Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)CO2 ZINC000184036588 1430832390 /nfs/dbraw/zinc/83/23/90/1430832390.db2.gz JMXPLRMAAJRVKD-QFIPXVFZSA-N 1 1 389.499 3.386 20 30 GGEDMO Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC[N@@H+](Cc3ccc(C#N)cc3)CC1)CO2 ZINC000184036588 1430832392 /nfs/dbraw/zinc/83/23/92/1430832392.db2.gz JMXPLRMAAJRVKD-QFIPXVFZSA-N 1 1 389.499 3.386 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184085818 1430839347 /nfs/dbraw/zinc/83/93/47/1430839347.db2.gz KACOEWIOEGNWKY-HXUWFJFHSA-N 1 1 399.535 3.068 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184085818 1430839350 /nfs/dbraw/zinc/83/93/50/1430839350.db2.gz KACOEWIOEGNWKY-HXUWFJFHSA-N 1 1 399.535 3.068 20 30 GGEDMO COc1ccccc1S(=O)(=O)CCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000184191890 1430854034 /nfs/dbraw/zinc/85/40/34/1430854034.db2.gz AHXLRMVPMSOBIR-UHFFFAOYSA-N 1 1 384.501 3.395 20 30 GGEDMO COc1ccccc1S(=O)(=O)CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000184191890 1430854036 /nfs/dbraw/zinc/85/40/36/1430854036.db2.gz AHXLRMVPMSOBIR-UHFFFAOYSA-N 1 1 384.501 3.395 20 30 GGEDMO COc1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000184223869 1430858628 /nfs/dbraw/zinc/85/86/28/1430858628.db2.gz CYDTVVVDPJWTEI-UHFFFAOYSA-N 1 1 398.438 3.322 20 30 GGEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000184297199 1430870021 /nfs/dbraw/zinc/87/00/21/1430870021.db2.gz JQYXYJANNLPUSM-SFHVURJKSA-N 1 1 392.503 3.106 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184321580 1430872910 /nfs/dbraw/zinc/87/29/10/1430872910.db2.gz HNSUYOJEJFQHDW-SJORKVTESA-N 1 1 389.569 3.086 20 30 GGEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000184324073 1430873268 /nfs/dbraw/zinc/87/32/68/1430873268.db2.gz NOXDEKDITAALFN-IAGOWNOFSA-N 1 1 389.569 3.228 20 30 GGEDMO COc1cc(CN2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc(OC)c1OC ZINC000184342614 1430875486 /nfs/dbraw/zinc/87/54/86/1430875486.db2.gz UDFYFJSEZBXMPA-KRWDZBQOSA-N 1 1 395.503 3.463 20 30 GGEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000184399621 1430883175 /nfs/dbraw/zinc/88/31/75/1430883175.db2.gz ZLPQSXMFXXYWMB-GOSISDBHSA-N 1 1 392.503 3.106 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000184419051 1430885557 /nfs/dbraw/zinc/88/55/57/1430885557.db2.gz FVFABAVMRKVOSA-HXUWFJFHSA-N 1 1 393.487 3.434 20 30 GGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000184451600 1430889430 /nfs/dbraw/zinc/88/94/30/1430889430.db2.gz GZIJQVHOEIIOTR-OALUTQOASA-N 1 1 385.508 3.375 20 30 GGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000184451600 1430889431 /nfs/dbraw/zinc/88/94/31/1430889431.db2.gz GZIJQVHOEIIOTR-OALUTQOASA-N 1 1 385.508 3.375 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000184599025 1430915009 /nfs/dbraw/zinc/91/50/09/1430915009.db2.gz OWWVBIGIMAHVAK-QGZVFWFLSA-N 1 1 396.491 3.225 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000184623306 1430922681 /nfs/dbraw/zinc/92/26/81/1430922681.db2.gz VUXDLXYDMGZSTC-QGZVFWFLSA-N 1 1 388.512 3.217 20 30 GGEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000184740916 1430961625 /nfs/dbraw/zinc/96/16/25/1430961625.db2.gz HFQLGAGFPMXNDI-KNKQGSTJSA-N 1 1 393.531 3.044 20 30 GGEDMO C#CCOc1ccccc1C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000184752105 1430965955 /nfs/dbraw/zinc/96/59/55/1430965955.db2.gz YZFGJZYOYPDVHG-UHFFFAOYSA-N 1 1 396.487 3.047 20 30 GGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000184844563 1431001013 /nfs/dbraw/zinc/00/10/13/1431001013.db2.gz DFYRDOXYDSNMMQ-QFIPXVFZSA-N 1 1 379.504 3.404 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](CCO)c2ccco2)c1C#N ZINC000185067998 1431053146 /nfs/dbraw/zinc/05/31/46/1431053146.db2.gz SXZDWRVXCOLYPE-LJQANCHMSA-N 1 1 392.459 3.211 20 30 GGEDMO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185103257 1431061713 /nfs/dbraw/zinc/06/17/13/1431061713.db2.gz IBHLHOBLQDERNQ-ZDUSSCGKSA-N 1 1 379.395 3.427 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185463514 1431151129 /nfs/dbraw/zinc/15/11/29/1431151129.db2.gz YZDNNRZTPMBEIV-PXNSSMCTSA-N 1 1 378.476 3.086 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185469746 1431152465 /nfs/dbraw/zinc/15/24/65/1431152465.db2.gz QQURHDJHYPZCNT-LJQANCHMSA-N 1 1 377.488 3.305 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185469727 1431152553 /nfs/dbraw/zinc/15/25/53/1431152553.db2.gz QQURHDJHYPZCNT-IBGZPJMESA-N 1 1 377.488 3.305 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185502937 1431159578 /nfs/dbraw/zinc/15/95/78/1431159578.db2.gz FWHSDXNBTVZSJX-SFHVURJKSA-N 1 1 395.478 3.444 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000185592347 1431178584 /nfs/dbraw/zinc/17/85/84/1431178584.db2.gz RVURYXAEVHNTII-OAQYLSRUSA-N 1 1 392.503 3.078 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000185592328 1431178717 /nfs/dbraw/zinc/17/87/17/1431178717.db2.gz RVURYXAEVHNTII-NRFANRHFSA-N 1 1 392.503 3.078 20 30 GGEDMO CC[C@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000185605828 1431182024 /nfs/dbraw/zinc/18/20/24/1431182024.db2.gz HGSFVIJHUIPCPL-NRFANRHFSA-N 1 1 392.503 3.395 20 30 GGEDMO COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000185620377 1431186336 /nfs/dbraw/zinc/18/63/36/1431186336.db2.gz GRARALMBDANNNM-UHFFFAOYSA-N 1 1 385.489 3.006 20 30 GGEDMO C=CCc1cc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)cc(OC)c1O ZINC000185658321 1431198195 /nfs/dbraw/zinc/19/81/95/1431198195.db2.gz PXZUJPVSEPMDAP-UHFFFAOYSA-N 1 1 382.508 3.365 20 30 GGEDMO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687841 1431206609 /nfs/dbraw/zinc/20/66/09/1431206609.db2.gz IKXPFPREJJVTAA-LQBOVUBWSA-N 1 1 380.536 3.296 20 30 GGEDMO C=C(C)[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)c1ccc(F)c(F)c1 ZINC000185785512 1431235552 /nfs/dbraw/zinc/23/55/52/1431235552.db2.gz YIAMVQYUUQMMAB-IBGZPJMESA-N 1 1 385.414 3.282 20 30 GGEDMO C=C(C)[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccc(F)c(F)c1 ZINC000185785512 1431235560 /nfs/dbraw/zinc/23/55/60/1431235560.db2.gz YIAMVQYUUQMMAB-IBGZPJMESA-N 1 1 385.414 3.282 20 30 GGEDMO C=C(C)[C@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000185844931 1431249517 /nfs/dbraw/zinc/24/95/17/1431249517.db2.gz NZRXVMCVTDDVTJ-IBGZPJMESA-N 1 1 394.510 3.297 20 30 GGEDMO C=C(C)[C@H](NC(=O)N1CC[NH+](CCOC(C)C)CC1)c1ccc(F)c(F)c1 ZINC000185849622 1431251679 /nfs/dbraw/zinc/25/16/79/1431251679.db2.gz POTCTZRCNXYVDJ-IBGZPJMESA-N 1 1 381.467 3.334 20 30 GGEDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000185863137 1431255511 /nfs/dbraw/zinc/25/55/11/1431255511.db2.gz ACOKBAHNVFWWEC-FQEVSTJZSA-N 1 1 392.547 3.253 20 30 GGEDMO Cn1cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000186032219 1431315021 /nfs/dbraw/zinc/31/50/21/1431315021.db2.gz MEDGAYQNUPUSQQ-UHFFFAOYSA-N 1 1 376.382 3.302 20 30 GGEDMO Cc1cc(C#N)ccc1C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000186161661 1431344681 /nfs/dbraw/zinc/34/46/81/1431344681.db2.gz IYGAWCBCLUVDTR-UHFFFAOYSA-N 1 1 382.895 3.276 20 30 GGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000186192387 1431350061 /nfs/dbraw/zinc/35/00/61/1431350061.db2.gz QTJCJHXLRWPINA-QFIPXVFZSA-N 1 1 389.547 3.296 20 30 GGEDMO Cc1cc(C#N)ccc1CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000186192387 1431350066 /nfs/dbraw/zinc/35/00/66/1431350066.db2.gz QTJCJHXLRWPINA-QFIPXVFZSA-N 1 1 389.547 3.296 20 30 GGEDMO CCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186319887 1431381196 /nfs/dbraw/zinc/38/11/96/1431381196.db2.gz PGHLEXQYXRJTCX-OAQYLSRUSA-N 1 1 377.488 3.254 20 30 GGEDMO CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186322692 1431382302 /nfs/dbraw/zinc/38/23/02/1431382302.db2.gz MUDBKZULJUGXGF-OAQYLSRUSA-N 1 1 377.488 3.254 20 30 GGEDMO COc1ccc2c(c1)nc(CNC1CC[NH+](Cc3ccc(C#N)cc3)CC1)n2C ZINC000186532300 1431447816 /nfs/dbraw/zinc/44/78/16/1431447816.db2.gz OTEOWBUPKQXAHB-UHFFFAOYSA-N 1 1 389.503 3.208 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000186681095 1431490965 /nfs/dbraw/zinc/49/09/65/1431490965.db2.gz MRZGAZJFEKUCHW-KBXCAEBGSA-N 1 1 381.467 3.069 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC3(CCOCC3)C2)cc1C ZINC000186810774 1431523630 /nfs/dbraw/zinc/52/36/30/1431523630.db2.gz ODOGRDCIQIUYSP-UHFFFAOYSA-N 1 1 387.549 3.148 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC3(CCOCC3)C2)cc1C ZINC000186810774 1431523632 /nfs/dbraw/zinc/52/36/32/1431523632.db2.gz ODOGRDCIQIUYSP-UHFFFAOYSA-N 1 1 387.549 3.148 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186812009 1431524137 /nfs/dbraw/zinc/52/41/37/1431524137.db2.gz ZUULXKIVRPECGW-GOSISDBHSA-N 1 1 387.549 3.228 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCSC3(CCOCC3)C2)c1C ZINC000186816755 1431526267 /nfs/dbraw/zinc/52/62/67/1431526267.db2.gz OKMUQHNJCHUFHR-UHFFFAOYSA-N 1 1 387.549 3.148 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCSC3(CCOCC3)C2)c1C ZINC000186816755 1431526277 /nfs/dbraw/zinc/52/62/77/1431526277.db2.gz OKMUQHNJCHUFHR-UHFFFAOYSA-N 1 1 387.549 3.148 20 30 GGEDMO N#CCCN(C(=O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000186941429 1431572372 /nfs/dbraw/zinc/57/23/72/1431572372.db2.gz FVDGSRPSLDQLOT-UHFFFAOYSA-N 1 1 395.478 3.142 20 30 GGEDMO C=CC[C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000187042364 1431598400 /nfs/dbraw/zinc/59/84/00/1431598400.db2.gz UPBWEGBPYKISOM-NHCUHLMSSA-N 1 1 377.488 3.435 20 30 GGEDMO C=CC[C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000187042364 1431598401 /nfs/dbraw/zinc/59/84/01/1431598401.db2.gz UPBWEGBPYKISOM-NHCUHLMSSA-N 1 1 377.488 3.435 20 30 GGEDMO COc1ccc(NC(=[NH2+])NC[C@@H](C2CC2)N(C)Cc2ccccc2)cc1OC ZINC000187055695 1431600913 /nfs/dbraw/zinc/60/09/13/1431600913.db2.gz HXUPIRQEIDJIAD-IBGZPJMESA-N 1 1 382.508 3.341 20 30 GGEDMO C=CC[C@@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000187077609 1431607501 /nfs/dbraw/zinc/60/75/01/1431607501.db2.gz SCXLWIUWDPGLQI-OAQYLSRUSA-N 1 1 377.488 3.373 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC1(O)CCCCCC1 ZINC000187342832 1431702788 /nfs/dbraw/zinc/70/27/88/1431702788.db2.gz KJTKZIHCBINMPD-UHFFFAOYSA-N 1 1 375.538 3.454 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2ccccc2NCCCOc2cccc(C#N)c2)CC1 ZINC000187518660 1431754330 /nfs/dbraw/zinc/75/43/30/1431754330.db2.gz DGGDOQQDJMRDQU-UHFFFAOYSA-N 1 1 392.503 3.103 20 30 GGEDMO CC[C@]1(CO)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000187523228 1431756096 /nfs/dbraw/zinc/75/60/96/1431756096.db2.gz GCBMRIWATDXVSA-FQEVSTJZSA-N 1 1 375.538 3.312 20 30 GGEDMO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000187621643 1431781131 /nfs/dbraw/zinc/78/11/31/1431781131.db2.gz MZNSDEVNCGGCAL-JOCHJYFZSA-N 1 1 398.507 3.041 20 30 GGEDMO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000187621643 1431781136 /nfs/dbraw/zinc/78/11/36/1431781136.db2.gz MZNSDEVNCGGCAL-JOCHJYFZSA-N 1 1 398.507 3.041 20 30 GGEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187754309 1431808612 /nfs/dbraw/zinc/80/86/12/1431808612.db2.gz LDQIFSDBRKWTSA-LJQANCHMSA-N 1 1 394.443 3.214 20 30 GGEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N1CCC(C(=O)OCC)CC1)c1ccc(F)c(F)c1 ZINC000187756601 1431808841 /nfs/dbraw/zinc/80/88/41/1431808841.db2.gz HGEKWUFRUCUHLR-AUUYWEPGSA-N 1 1 394.462 3.362 20 30 GGEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1)c1ccc(F)c(F)c1 ZINC000187756619 1431809048 /nfs/dbraw/zinc/80/90/48/1431809048.db2.gz HGEKWUFRUCUHLR-IFXJQAMLSA-N 1 1 394.462 3.362 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)C1CC1 ZINC000187780119 1431811627 /nfs/dbraw/zinc/81/16/27/1431811627.db2.gz QNRUDBBEGUFXDU-JOCHJYFZSA-N 1 1 392.503 3.299 20 30 GGEDMO C=CC[C@H](C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000187785258 1431812114 /nfs/dbraw/zinc/81/21/14/1431812114.db2.gz OZYJPKPNBYOMSG-QFIPXVFZSA-N 1 1 397.563 3.139 20 30 GGEDMO N#Cc1ccc(Oc2ccc(NC(=O)NCC[N@H+]3CCCOCC3)cc2)cc1 ZINC000187916919 1431826880 /nfs/dbraw/zinc/82/68/80/1431826880.db2.gz WKGPSDJGGSOBHQ-UHFFFAOYSA-N 1 1 380.448 3.194 20 30 GGEDMO C#CCOc1ccccc1NC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000188035623 1431838314 /nfs/dbraw/zinc/83/83/14/1431838314.db2.gz SZOBSROMPMSAEW-UHFFFAOYSA-N 1 1 396.491 3.337 20 30 GGEDMO C=C[C@H](CC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000188157108 1431854100 /nfs/dbraw/zinc/85/41/00/1431854100.db2.gz SLWPBHNHKDHAHX-ZJSXRUAMSA-N 1 1 378.516 3.442 20 30 GGEDMO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nc2sccc2c1=O ZINC000188231061 1431864015 /nfs/dbraw/zinc/86/40/15/1431864015.db2.gz NKLTXIYHHIUWBR-UHFFFAOYSA-N 1 1 392.594 3.152 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCOCC(F)(F)C(F)(F)F)CC2)cc1 ZINC000188563095 1431895480 /nfs/dbraw/zinc/89/54/80/1431895480.db2.gz LLGHGYRZRFVIHI-UHFFFAOYSA-N 1 1 391.384 3.280 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)CC2)cc1 ZINC000188563095 1431895481 /nfs/dbraw/zinc/89/54/81/1431895481.db2.gz LLGHGYRZRFVIHI-UHFFFAOYSA-N 1 1 391.384 3.280 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@H+](CCOCC(F)(F)C(F)(F)F)CC2)cc1 ZINC000188563095 1431895483 /nfs/dbraw/zinc/89/54/83/1431895483.db2.gz LLGHGYRZRFVIHI-UHFFFAOYSA-N 1 1 391.384 3.280 20 30 GGEDMO C[C@H](c1nnnn1C1CCCCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000188563315 1431895553 /nfs/dbraw/zinc/89/55/53/1431895553.db2.gz IZYOERDRMUJYJN-GOSISDBHSA-N 1 1 393.539 3.319 20 30 GGEDMO C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[N@H+]1CC(C)(C)O ZINC000188661617 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394.475 3.136 20 30 GGEDMO C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[N@H+]1CC(C)(C)O ZINC000188753882 1431959331 /nfs/dbraw/zinc/95/93/31/1431959331.db2.gz MCLTWKHJMGNBEK-QGZVFWFLSA-N 1 1 393.487 3.268 20 30 GGEDMO C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[N@H+]1CC(C)(C)O ZINC000188753904 1431959755 /nfs/dbraw/zinc/95/97/55/1431959755.db2.gz MCLTWKHJMGNBEK-KRWDZBQOSA-N 1 1 393.487 3.268 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000188962059 1432017334 /nfs/dbraw/zinc/01/73/34/1432017334.db2.gz PPCANPZNPQGYOC-UHFFFAOYSA-N 1 1 377.423 3.460 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000188962059 1432017337 /nfs/dbraw/zinc/01/73/37/1432017337.db2.gz PPCANPZNPQGYOC-UHFFFAOYSA-N 1 1 377.423 3.460 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000189119865 1432048489 /nfs/dbraw/zinc/04/84/89/1432048489.db2.gz NARBXEQXJSCQSD-MRXNPFEDSA-N 1 1 381.480 3.001 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H](O)C(F)(F)F ZINC000189432333 1432108718 /nfs/dbraw/zinc/10/87/18/1432108718.db2.gz DXIMJDRNFXDTQK-AWEZNQCLSA-N 1 1 389.443 3.072 20 30 GGEDMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000189564116 1432160498 /nfs/dbraw/zinc/16/04/98/1432160498.db2.gz VPDDZFXTKYEVKF-UWJYYQICSA-N 1 1 390.487 3.008 20 30 GGEDMO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000189564065 1432160659 /nfs/dbraw/zinc/16/06/59/1432160659.db2.gz VPDDZFXTKYEVKF-LAUBAEHRSA-N 1 1 390.487 3.008 20 30 GGEDMO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000189565079 1432160875 /nfs/dbraw/zinc/16/08/75/1432160875.db2.gz WQTILRHGWQWOJW-LAUBAEHRSA-N 1 1 390.487 3.008 20 30 GGEDMO C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000189564611 1432160898 /nfs/dbraw/zinc/16/08/98/1432160898.db2.gz QLWJHJJWFKQZAA-PGRDOPGGSA-N 1 1 389.499 3.118 20 30 GGEDMO CC[C@@]1(CO)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000189689347 1432205206 /nfs/dbraw/zinc/20/52/06/1432205206.db2.gz JUDMXQWFKPHGMA-FQEVSTJZSA-N 1 1 375.538 3.454 20 30 GGEDMO COc1ccc([C@H](CNC(=O)c2ccc(C#N)c(O)c2)[NH+]2CCCCC2)cc1 ZINC000189849208 1432252875 /nfs/dbraw/zinc/25/28/75/1432252875.db2.gz YWTOJEWZNRVCPG-FQEVSTJZSA-N 1 1 379.460 3.229 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000190187358 1432336689 /nfs/dbraw/zinc/33/66/89/1432336689.db2.gz NCYWCHGUTLZDNM-CVEARBPZSA-N 1 1 390.553 3.390 20 30 GGEDMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(CCC#N)CC3CC3)c2C1 ZINC000190255785 1432349686 /nfs/dbraw/zinc/34/96/86/1432349686.db2.gz YHBMFDWJXFOBCD-MRXNPFEDSA-N 1 1 382.508 3.137 20 30 GGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000190313912 1432358809 /nfs/dbraw/zinc/35/88/09/1432358809.db2.gz NZJWABHXVKGPGI-XMMPIXPASA-N 1 1 392.547 3.105 20 30 GGEDMO CN(Cc1ccc(N(C)CCC#N)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190313912 1432358811 /nfs/dbraw/zinc/35/88/11/1432358811.db2.gz NZJWABHXVKGPGI-XMMPIXPASA-N 1 1 392.547 3.105 20 30 GGEDMO CN(Cc1ccc(N(C)CCC#N)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190313912 1432358813 /nfs/dbraw/zinc/35/88/13/1432358813.db2.gz NZJWABHXVKGPGI-XMMPIXPASA-N 1 1 392.547 3.105 20 30 GGEDMO C[C@H](C#N)Oc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000190319305 1432360437 /nfs/dbraw/zinc/36/04/37/1432360437.db2.gz UWDQKHUBQSNZSE-AUSIDOKSSA-N 1 1 379.504 3.046 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000190319305 1432360440 /nfs/dbraw/zinc/36/04/40/1432360440.db2.gz UWDQKHUBQSNZSE-AUSIDOKSSA-N 1 1 379.504 3.046 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000190319305 1432360442 /nfs/dbraw/zinc/36/04/42/1432360442.db2.gz UWDQKHUBQSNZSE-AUSIDOKSSA-N 1 1 379.504 3.046 20 30 GGEDMO C=CCN(CCOC)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000190699520 1432446032 /nfs/dbraw/zinc/44/60/32/1432446032.db2.gz HRPQZELBDUSYJT-UHFFFAOYSA-N 1 1 387.524 3.051 20 30 GGEDMO C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190967756 1432540006 /nfs/dbraw/zinc/54/00/06/1432540006.db2.gz USXBFPFKKABWQQ-HXUWFJFHSA-N 1 1 380.488 3.272 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000190973063 1432541200 /nfs/dbraw/zinc/54/12/00/1432541200.db2.gz QKXXXWFPKVBUOZ-FQEVSTJZSA-N 1 1 378.476 3.145 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1C#N ZINC000191263925 1432612332 /nfs/dbraw/zinc/61/23/32/1432612332.db2.gz XZWVIBFUFSSBOS-KBPBESRZSA-N 1 1 398.482 3.277 20 30 GGEDMO C#CCNC(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191514848 1432677054 /nfs/dbraw/zinc/67/70/54/1432677054.db2.gz LTIKSZCRTUPPTB-HNNXBMFYSA-N 1 1 383.517 3.136 20 30 GGEDMO C#CCOc1ccccc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191686056 1432706065 /nfs/dbraw/zinc/70/60/65/1432706065.db2.gz FLWPZFJBTLIQKX-UHFFFAOYSA-N 1 1 396.438 3.281 20 30 GGEDMO C#CCOc1ccccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191686056 1432706066 /nfs/dbraw/zinc/70/60/66/1432706066.db2.gz FLWPZFJBTLIQKX-UHFFFAOYSA-N 1 1 396.438 3.281 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000191854538 1432740353 /nfs/dbraw/zinc/74/03/53/1432740353.db2.gz FCNQBKRMCOFQNV-APWZRJJASA-N 1 1 396.453 3.310 20 30 GGEDMO N#Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000191887987 1432747185 /nfs/dbraw/zinc/74/71/85/1432747185.db2.gz IESVGKRHLGGQFS-LJQANCHMSA-N 1 1 382.439 3.110 20 30 GGEDMO CO[C@@](C)(C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000191893577 1432749248 /nfs/dbraw/zinc/74/92/48/1432749248.db2.gz QBXRHTZMJPAQSP-HSZRJFAPSA-N 1 1 395.478 3.293 20 30 GGEDMO CO[C@@](C)(C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000191893577 1432749252 /nfs/dbraw/zinc/74/92/52/1432749252.db2.gz QBXRHTZMJPAQSP-HSZRJFAPSA-N 1 1 395.478 3.293 20 30 GGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000191917142 1432755378 /nfs/dbraw/zinc/75/53/78/1432755378.db2.gz BIERVSLAVXDKAT-SFHVURJKSA-N 1 1 383.492 3.489 20 30 GGEDMO C#CCOc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191939221 1432761312 /nfs/dbraw/zinc/76/13/12/1432761312.db2.gz ZHTAZXSPSCWVSV-HXUWFJFHSA-N 1 1 393.487 3.111 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCS[C@H](C)CC2)c1C#N ZINC000192192363 1432814211 /nfs/dbraw/zinc/81/42/11/1432814211.db2.gz GZPKEXRGORPFLK-CQSZACIVSA-N 1 1 386.521 3.384 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCS[C@H](C)CC2)c1C#N ZINC000192192363 1432814215 /nfs/dbraw/zinc/81/42/15/1432814215.db2.gz GZPKEXRGORPFLK-CQSZACIVSA-N 1 1 386.521 3.384 20 30 GGEDMO N#Cc1ccc(SCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192215552 1432817939 /nfs/dbraw/zinc/81/79/39/1432817939.db2.gz WQKZZGUNNRFVBQ-FQEVSTJZSA-N 1 1 395.528 3.058 20 30 GGEDMO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1OC ZINC000192243859 1432821896 /nfs/dbraw/zinc/82/18/96/1432821896.db2.gz MSSMEKAAAXJOLS-KRWDZBQOSA-N 1 1 399.878 3.120 20 30 GGEDMO C#CCCOc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354442 1432835552 /nfs/dbraw/zinc/83/55/52/1432835552.db2.gz VKOQUBVTMDJTNG-DEOSSOPVSA-N 1 1 378.516 3.469 20 30 GGEDMO C#CCCOc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354442 1432835554 /nfs/dbraw/zinc/83/55/54/1432835554.db2.gz VKOQUBVTMDJTNG-DEOSSOPVSA-N 1 1 378.516 3.469 20 30 GGEDMO C#CCCOc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354436 1432835598 /nfs/dbraw/zinc/83/55/98/1432835598.db2.gz VKOQUBVTMDJTNG-XMMPIXPASA-N 1 1 378.516 3.469 20 30 GGEDMO C#CCCOc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192354436 1432835601 /nfs/dbraw/zinc/83/56/01/1432835601.db2.gz VKOQUBVTMDJTNG-XMMPIXPASA-N 1 1 378.516 3.469 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000192554868 1432859300 /nfs/dbraw/zinc/85/93/00/1432859300.db2.gz USBLUWLMUOYSHL-FBBABVLZSA-N 1 1 396.535 3.070 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+](CCO)[C@@H]3CCc4ccccc43)C2=O)cc1 ZINC000192613959 1432866267 /nfs/dbraw/zinc/86/62/67/1432866267.db2.gz YASMULHVDKTQMR-FGZHOGPDSA-N 1 1 375.472 3.035 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000192813701 1432893898 /nfs/dbraw/zinc/89/38/98/1432893898.db2.gz FRHAKYGQNYPOFH-LEWJYISDSA-N 1 1 377.532 3.273 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000192988286 1432917851 /nfs/dbraw/zinc/91/78/51/1432917851.db2.gz BAOXPCLTVLVRIN-MRXNPFEDSA-N 1 1 389.908 3.012 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cc(F)cc(F)c3)CC2)cc1 ZINC000193188553 1432953797 /nfs/dbraw/zinc/95/37/97/1432953797.db2.gz FFKOKNBUBFPBBT-UHFFFAOYSA-N 1 1 384.430 3.254 20 30 GGEDMO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000193281070 1432973787 /nfs/dbraw/zinc/97/37/87/1432973787.db2.gz SARSEIBCLVZLLN-INIZCTEOSA-N 1 1 378.501 3.171 20 30 GGEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000193281070 1432973789 /nfs/dbraw/zinc/97/37/89/1432973789.db2.gz SARSEIBCLVZLLN-INIZCTEOSA-N 1 1 378.501 3.171 20 30 GGEDMO C=CCc1cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc(OC)c1O ZINC000193333129 1432981081 /nfs/dbraw/zinc/98/10/81/1432981081.db2.gz RCUDJHNGYBWNRO-HDICACEKSA-N 1 1 388.508 3.428 20 30 GGEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc(Cl)c1OCC(N)=O ZINC000193613767 1433029156 /nfs/dbraw/zinc/02/91/56/1433029156.db2.gz ZAIRJQQLIZCWHY-UHFFFAOYSA-N 1 1 399.878 3.249 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000193681636 1433039947 /nfs/dbraw/zinc/03/99/47/1433039947.db2.gz LKJSCHXGMRHUCW-FQEVSTJZSA-N 1 1 378.476 3.145 20 30 GGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193745730 1433051184 /nfs/dbraw/zinc/05/11/84/1433051184.db2.gz ICVXMTOKJGAOOH-INIZCTEOSA-N 1 1 384.524 3.053 20 30 GGEDMO CCNC(=O)c1cccc(NC(=O)C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000193759876 1433054114 /nfs/dbraw/zinc/05/41/14/1433054114.db2.gz REXOZUXQVVPSAQ-INIZCTEOSA-N 1 1 378.476 3.330 20 30 GGEDMO CCNC(=O)c1cccc(NC(=O)C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000193759876 1433054116 /nfs/dbraw/zinc/05/41/16/1433054116.db2.gz REXOZUXQVVPSAQ-INIZCTEOSA-N 1 1 378.476 3.330 20 30 GGEDMO C=CCc1ccc(OCC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000193808798 1433064483 /nfs/dbraw/zinc/06/44/83/1433064483.db2.gz GTDUSJYWIFGNBZ-OAQYLSRUSA-N 1 1 394.515 3.441 20 30 GGEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CSc2cc(C#N)ccn2)CC1 ZINC000193832654 1433068613 /nfs/dbraw/zinc/06/86/13/1433068613.db2.gz NRJMVJIYZPUYJT-UHFFFAOYSA-N 1 1 380.517 3.088 20 30 GGEDMO N#Cc1ccc(CSCC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000193832444 1433068645 /nfs/dbraw/zinc/06/86/45/1433068645.db2.gz BIRBJYXRJGKGAA-NRFANRHFSA-N 1 1 379.529 3.430 20 30 GGEDMO COC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1 ZINC000194192596 1433135513 /nfs/dbraw/zinc/13/55/13/1433135513.db2.gz SMEOGSUVGPTXKK-UXHICEINSA-N 1 1 383.879 3.290 20 30 GGEDMO COC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1 ZINC000194192638 1433135708 /nfs/dbraw/zinc/13/57/08/1433135708.db2.gz SMEOGSUVGPTXKK-VQTJNVASSA-N 1 1 383.879 3.290 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)c1 ZINC000194263081 1433151617 /nfs/dbraw/zinc/15/16/17/1433151617.db2.gz QFUWAXYLIPJALH-UHFFFAOYSA-N 1 1 388.471 3.051 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OCc3nccn3C)cc2)c1 ZINC000194263081 1433151627 /nfs/dbraw/zinc/15/16/27/1433151627.db2.gz QFUWAXYLIPJALH-UHFFFAOYSA-N 1 1 388.471 3.051 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000194280715 1433154358 /nfs/dbraw/zinc/15/43/58/1433154358.db2.gz HDPMBFXAEQDPRP-IBGZPJMESA-N 1 1 396.535 3.046 20 30 GGEDMO CCO[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000194318533 1433160494 /nfs/dbraw/zinc/16/04/94/1433160494.db2.gz UEEHGJPOXRAVQS-QFIPXVFZSA-N 1 1 377.488 3.370 20 30 GGEDMO CCO[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000194318533 1433160498 /nfs/dbraw/zinc/16/04/98/1433160498.db2.gz UEEHGJPOXRAVQS-QFIPXVFZSA-N 1 1 377.488 3.370 20 30 GGEDMO COc1cccc([C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000194412982 1433174200 /nfs/dbraw/zinc/17/42/00/1433174200.db2.gz LKWIJURRDODEBO-SFHVURJKSA-N 1 1 377.488 3.405 20 30 GGEDMO COc1cccc([C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000194412982 1433174204 /nfs/dbraw/zinc/17/42/04/1433174204.db2.gz LKWIJURRDODEBO-SFHVURJKSA-N 1 1 377.488 3.405 20 30 GGEDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194538075 1433194211 /nfs/dbraw/zinc/19/42/11/1433194211.db2.gz DBXDDUIDOUAHLM-UHFFFAOYSA-N 1 1 376.504 3.247 20 30 GGEDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194538075 1433194214 /nfs/dbraw/zinc/19/42/14/1433194214.db2.gz DBXDDUIDOUAHLM-UHFFFAOYSA-N 1 1 376.504 3.247 20 30 GGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000194860082 1433250494 /nfs/dbraw/zinc/25/04/94/1433250494.db2.gz IEHPPIQSHIYIPH-JOCHJYFZSA-N 1 1 380.492 3.370 20 30 GGEDMO N#Cc1ccc(CC(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000194875451 1433254346 /nfs/dbraw/zinc/25/43/46/1433254346.db2.gz REGHJDVQLJQRJD-UHFFFAOYSA-N 1 1 396.922 3.083 20 30 GGEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000194886910 1433257465 /nfs/dbraw/zinc/25/74/65/1433257465.db2.gz COGWPWYEXHEECQ-AWEZNQCLSA-N 1 1 378.398 3.197 20 30 GGEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)ccc1OC ZINC000194936233 1433268138 /nfs/dbraw/zinc/26/81/38/1433268138.db2.gz UQWYADAHBUOXML-QGZVFWFLSA-N 1 1 386.496 3.479 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C2CC2)cc1 ZINC000194959193 1433272772 /nfs/dbraw/zinc/27/27/72/1433272772.db2.gz OAUUXCADCFRKIF-NRFANRHFSA-N 1 1 388.515 3.165 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C2CC2)cc1 ZINC000194959193 1433272774 /nfs/dbraw/zinc/27/27/74/1433272774.db2.gz OAUUXCADCFRKIF-NRFANRHFSA-N 1 1 388.515 3.165 20 30 GGEDMO Cc1cccc(NC(=O)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000194963440 1433273353 /nfs/dbraw/zinc/27/33/53/1433273353.db2.gz ZABMSAISSNEXDZ-UHFFFAOYSA-N 1 1 376.460 3.488 20 30 GGEDMO Cc1cccc(NC(=O)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000194963440 1433273355 /nfs/dbraw/zinc/27/33/55/1433273355.db2.gz ZABMSAISSNEXDZ-UHFFFAOYSA-N 1 1 376.460 3.488 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C2CC2)cc1 ZINC000194963897 1433273415 /nfs/dbraw/zinc/27/34/15/1433273415.db2.gz WVEIFLHOKHBSKD-UHFFFAOYSA-N 1 1 399.441 3.483 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C2CC2)cc1 ZINC000194963897 1433273418 /nfs/dbraw/zinc/27/34/18/1433273418.db2.gz WVEIFLHOKHBSKD-UHFFFAOYSA-N 1 1 399.441 3.483 20 30 GGEDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194968077 1433274034 /nfs/dbraw/zinc/27/40/34/1433274034.db2.gz VLGPGWZWZUHAAF-UHFFFAOYSA-N 1 1 394.431 3.468 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000195236595 1433310500 /nfs/dbraw/zinc/31/05/00/1433310500.db2.gz OUPJDTZASZBBFT-FCHUYYIVSA-N 1 1 392.478 3.471 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3nccs3)C2)c(OC)c1 ZINC000195358156 1433322414 /nfs/dbraw/zinc/32/24/14/1433322414.db2.gz JPCIGHQYFJXYEI-ZWKOTPCHSA-N 1 1 388.533 3.500 20 30 GGEDMO C[NH+](C)[C@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccccc1 ZINC000195455127 1433331736 /nfs/dbraw/zinc/33/17/36/1433331736.db2.gz MGDIYJFQIRQPGT-QHCPKHFHSA-N 1 1 399.498 3.058 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1COc2ccccc2O1 ZINC000198384164 1433349622 /nfs/dbraw/zinc/34/96/22/1433349622.db2.gz AEVLGHRLRHCUQJ-AWEZNQCLSA-N 1 1 397.500 3.209 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1COc2ccccc2O1 ZINC000198384149 1433349734 /nfs/dbraw/zinc/34/97/34/1433349734.db2.gz AEVLGHRLRHCUQJ-CQSZACIVSA-N 1 1 397.500 3.209 20 30 GGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000216166263 1433363135 /nfs/dbraw/zinc/36/31/35/1433363135.db2.gz WVKHQJGGYDNMDX-QGZVFWFLSA-N 1 1 395.569 3.251 20 30 GGEDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000216488787 1433363763 /nfs/dbraw/zinc/36/37/63/1433363763.db2.gz IUQSYUMCWPJMCT-ICSRJNTNSA-N 1 1 393.487 3.484 20 30 GGEDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000216488787 1433363766 /nfs/dbraw/zinc/36/37/66/1433363766.db2.gz IUQSYUMCWPJMCT-ICSRJNTNSA-N 1 1 393.487 3.484 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000227909620 1433370773 /nfs/dbraw/zinc/37/07/73/1433370773.db2.gz PJNCFNITAGKSEK-IRLDBZIGSA-N 1 1 384.451 3.118 20 30 GGEDMO COCC[NH+]1CCC(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000237126342 1433390275 /nfs/dbraw/zinc/39/02/75/1433390275.db2.gz SDGJWNDNCJSZHZ-UHFFFAOYSA-N 1 1 379.504 3.338 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000245389531 1433457661 /nfs/dbraw/zinc/45/76/61/1433457661.db2.gz ILSZTJWMCNYJBG-MSOLQXFVSA-N 1 1 391.581 3.135 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000245394171 1433459311 /nfs/dbraw/zinc/45/93/11/1433459311.db2.gz XKSICKCODPHHJA-CABCVRRESA-N 1 1 390.915 3.167 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000245394171 1433459313 /nfs/dbraw/zinc/45/93/13/1433459313.db2.gz XKSICKCODPHHJA-CABCVRRESA-N 1 1 390.915 3.167 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@H]3CCCOC3)sc2C1 ZINC000245419529 1433464072 /nfs/dbraw/zinc/46/40/72/1433464072.db2.gz AWRXBVMVBCFROH-HUUCEWRRSA-N 1 1 375.538 3.432 20 30 GGEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245439971 1433468241 /nfs/dbraw/zinc/46/82/41/1433468241.db2.gz UCRSGBPCNPPGSB-MOPGFXCFSA-N 1 1 394.523 3.374 20 30 GGEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245439971 1433468243 /nfs/dbraw/zinc/46/82/43/1433468243.db2.gz UCRSGBPCNPPGSB-MOPGFXCFSA-N 1 1 394.523 3.374 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000245448593 1433469533 /nfs/dbraw/zinc/46/95/33/1433469533.db2.gz MZPPXYARLVFXKH-RTBURBONSA-N 1 1 376.504 3.482 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000245495408 1433477095 /nfs/dbraw/zinc/47/70/95/1433477095.db2.gz PKIWVHMLIBVEFI-UXHICEINSA-N 1 1 382.508 3.201 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245513832 1433480065 /nfs/dbraw/zinc/48/00/65/1433480065.db2.gz AZVXMCUCXXQKII-CUWPLCDZSA-N 1 1 396.535 3.070 20 30 GGEDMO CCOC(=O)CC[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245536737 1433482232 /nfs/dbraw/zinc/48/22/32/1433482232.db2.gz XUVPUDUSESFJDL-QUCCMNQESA-N 1 1 383.492 3.109 20 30 GGEDMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537701 1433482498 /nfs/dbraw/zinc/48/24/98/1433482498.db2.gz YLGWPKYCOUONRD-PMACEKPBSA-N 1 1 377.492 3.241 20 30 GGEDMO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1OCCCC#N ZINC000245731885 1433507665 /nfs/dbraw/zinc/50/76/65/1433507665.db2.gz JXSPZVSPGRPITR-FXAWDEMLSA-N 1 1 394.537 3.165 20 30 GGEDMO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1OCCCC#N ZINC000245731885 1433507667 /nfs/dbraw/zinc/50/76/67/1433507667.db2.gz JXSPZVSPGRPITR-FXAWDEMLSA-N 1 1 394.537 3.165 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000245740498 1433509198 /nfs/dbraw/zinc/50/91/98/1433509198.db2.gz XEKKVJHVFPXJIV-RXVVDRJESA-N 1 1 379.508 3.330 20 30 GGEDMO C#CCSCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245752938 1433512198 /nfs/dbraw/zinc/51/21/98/1433512198.db2.gz XZTFADDUADNSBR-WMLDXEAASA-N 1 1 383.920 3.138 20 30 GGEDMO CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245757275 1433512598 /nfs/dbraw/zinc/51/25/98/1433512598.db2.gz YUXWTJFUDKHWCZ-XZOQPEGZSA-N 1 1 396.579 3.286 20 30 GGEDMO C=C(C)COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1OC ZINC000245769341 1433514733 /nfs/dbraw/zinc/51/47/33/1433514733.db2.gz RJGCDDSHPIKRHO-FXAWDEMLSA-N 1 1 381.538 3.438 20 30 GGEDMO C=C(C)COc1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1OC ZINC000245769341 1433514734 /nfs/dbraw/zinc/51/47/34/1433514734.db2.gz RJGCDDSHPIKRHO-FXAWDEMLSA-N 1 1 381.538 3.438 20 30 GGEDMO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000245858987 1433528445 /nfs/dbraw/zinc/52/84/45/1433528445.db2.gz KNTWLSCTZNSQPG-PZJWPPBQSA-N 1 1 387.524 3.066 20 30 GGEDMO COCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000245858987 1433528448 /nfs/dbraw/zinc/52/84/48/1433528448.db2.gz KNTWLSCTZNSQPG-PZJWPPBQSA-N 1 1 387.524 3.066 20 30 GGEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000245872130 1433531347 /nfs/dbraw/zinc/53/13/47/1433531347.db2.gz ABELXAZJJWMARN-WMZOPIPTSA-N 1 1 379.426 3.183 20 30 GGEDMO C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H]1c1ccccc1 ZINC000245877094 1433532379 /nfs/dbraw/zinc/53/23/79/1433532379.db2.gz MRIXHJJOCATQAO-SFGWALBWSA-N 1 1 394.544 3.150 20 30 GGEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H]1c1ccccc1 ZINC000245877094 1433532388 /nfs/dbraw/zinc/53/23/88/1433532388.db2.gz MRIXHJJOCATQAO-SFGWALBWSA-N 1 1 394.544 3.150 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245880021 1433532499 /nfs/dbraw/zinc/53/24/99/1433532499.db2.gz NDXPBDUOUYOIQE-MOPGFXCFSA-N 1 1 379.508 3.010 20 30 GGEDMO C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@H]1c1ccccc1 ZINC000245877102 1433532689 /nfs/dbraw/zinc/53/26/89/1433532689.db2.gz MRIXHJJOCATQAO-ZWCUEREDSA-N 1 1 394.544 3.150 20 30 GGEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@H]1c1ccccc1 ZINC000245877102 1433532697 /nfs/dbraw/zinc/53/26/97/1433532697.db2.gz MRIXHJJOCATQAO-ZWCUEREDSA-N 1 1 394.544 3.150 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000245889424 1433535339 /nfs/dbraw/zinc/53/53/39/1433535339.db2.gz FHFQRFJTPPVMKF-RDJZCZTQSA-N 1 1 386.496 3.074 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000245889424 1433535345 /nfs/dbraw/zinc/53/53/45/1433535345.db2.gz FHFQRFJTPPVMKF-RDJZCZTQSA-N 1 1 386.496 3.074 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000245889434 1433535407 /nfs/dbraw/zinc/53/54/07/1433535407.db2.gz FHFQRFJTPPVMKF-WBVHZDCISA-N 1 1 386.496 3.074 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000245889434 1433535411 /nfs/dbraw/zinc/53/54/11/1433535411.db2.gz FHFQRFJTPPVMKF-WBVHZDCISA-N 1 1 386.496 3.074 20 30 GGEDMO CN(CCC#N)c1ccc(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000245905016 1433538977 /nfs/dbraw/zinc/53/89/77/1433538977.db2.gz AXBUQEUJTDTMJX-QFIPXVFZSA-N 1 1 391.519 3.098 20 30 GGEDMO C[C@H](c1cccs1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245919313 1433542097 /nfs/dbraw/zinc/54/20/97/1433542097.db2.gz XIOKVKBKTHYJIS-HZPDHXFCSA-N 1 1 388.562 3.211 20 30 GGEDMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245919313 1433542098 /nfs/dbraw/zinc/54/20/98/1433542098.db2.gz XIOKVKBKTHYJIS-HZPDHXFCSA-N 1 1 388.562 3.211 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000246069358 1433564356 /nfs/dbraw/zinc/56/43/56/1433564356.db2.gz XPWFLLOWMZWLCN-OEWRPIJISA-N 1 1 397.544 3.134 20 30 GGEDMO Cc1cccc(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C#N ZINC000246080669 1433565384 /nfs/dbraw/zinc/56/53/84/1433565384.db2.gz GSGORUZRVQHOPQ-MSOLQXFVSA-N 1 1 375.538 3.142 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3CCCN(C)C3)sc2C1 ZINC000246127929 1433572298 /nfs/dbraw/zinc/57/22/98/1433572298.db2.gz IFPDUESHRBYNOY-HOTGVXAUSA-N 1 1 388.581 3.347 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@H]3CCCN(C)C3)sc2C1 ZINC000246127929 1433572300 /nfs/dbraw/zinc/57/23/00/1433572300.db2.gz IFPDUESHRBYNOY-HOTGVXAUSA-N 1 1 388.581 3.347 20 30 GGEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000246165280 1433577090 /nfs/dbraw/zinc/57/70/90/1433577090.db2.gz MFBLTDJBIGOOSQ-PXNSSMCTSA-N 1 1 391.496 3.304 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1)C1CC1 ZINC000246198622 1433581086 /nfs/dbraw/zinc/58/10/86/1433581086.db2.gz UISJRIDTWRLMIB-FOIQADDNSA-N 1 1 375.900 3.239 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1)C1CC1 ZINC000246198622 1433581090 /nfs/dbraw/zinc/58/10/90/1433581090.db2.gz UISJRIDTWRLMIB-FOIQADDNSA-N 1 1 375.900 3.239 20 30 GGEDMO C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1=S ZINC000246201097 1433581239 /nfs/dbraw/zinc/58/12/39/1433581239.db2.gz ATGCLFCEAJIVSK-ROUUACIJSA-N 1 1 384.553 3.036 20 30 GGEDMO CCN(C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000246232193 1433584674 /nfs/dbraw/zinc/58/46/74/1433584674.db2.gz QIWRHSOAWASUNH-GDBMZVCRSA-N 1 1 382.430 3.091 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000246235870 1433585224 /nfs/dbraw/zinc/58/52/24/1433585224.db2.gz NITXADFNXHKIFE-FDDCHVKYSA-N 1 1 390.531 3.452 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CN2CCCCC2)c(OC)c1 ZINC000246251831 1433586518 /nfs/dbraw/zinc/58/65/18/1433586518.db2.gz ZVNQJEFNTXAPIJ-SFTDATJTSA-N 1 1 388.552 3.114 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2CN2CCCCC2)c(OC)c1 ZINC000246251831 1433586520 /nfs/dbraw/zinc/58/65/20/1433586520.db2.gz ZVNQJEFNTXAPIJ-SFTDATJTSA-N 1 1 388.552 3.114 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246273323 1433588427 /nfs/dbraw/zinc/58/84/27/1433588427.db2.gz BEDNMAXGFCJXTC-WIYYLYMNSA-N 1 1 399.583 3.459 20 30 GGEDMO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000246275709 1433588703 /nfs/dbraw/zinc/58/87/03/1433588703.db2.gz BMSBMGBJHYCLTR-RTBURBONSA-N 1 1 399.535 3.303 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246286183 1433589636 /nfs/dbraw/zinc/58/96/36/1433589636.db2.gz ARTWYGMSEKQNSG-AOIWGVFYSA-N 1 1 386.565 3.311 20 30 GGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000246282969 1433589745 /nfs/dbraw/zinc/58/97/45/1433589745.db2.gz ANMBNMYNSVGOTQ-KURKYZTESA-N 1 1 386.565 3.435 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246297325 1433591338 /nfs/dbraw/zinc/59/13/38/1433591338.db2.gz DWHLQVGHMHDRTF-IEBWSBKVSA-N 1 1 385.508 3.059 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246429723 1433611822 /nfs/dbraw/zinc/61/18/22/1433611822.db2.gz CNKLEJUEPIWHDH-NSISKUIASA-N 1 1 387.499 3.445 20 30 GGEDMO N#Cc1ccc(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000246481130 1433619058 /nfs/dbraw/zinc/61/90/58/1433619058.db2.gz GNXYBSOSMKGUMJ-OXJNMPFZSA-N 1 1 386.927 3.489 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC000246481130 1433619079 /nfs/dbraw/zinc/61/90/79/1433619079.db2.gz GNXYBSOSMKGUMJ-OXJNMPFZSA-N 1 1 386.927 3.489 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC000246481130 1433619083 /nfs/dbraw/zinc/61/90/83/1433619083.db2.gz GNXYBSOSMKGUMJ-OXJNMPFZSA-N 1 1 386.927 3.489 20 30 GGEDMO N#CCSc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246503710 1433622533 /nfs/dbraw/zinc/62/25/33/1433622533.db2.gz HVBYHODWMXQTDT-QFBILLFUSA-N 1 1 384.549 3.189 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246519280 1433624571 /nfs/dbraw/zinc/62/45/71/1433624571.db2.gz RDERIBFLNDSHQB-JFIYKMOQSA-N 1 1 388.537 3.123 20 30 GGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246524751 1433625256 /nfs/dbraw/zinc/62/52/56/1433625256.db2.gz RNDDJLCIVSMTCX-RBBKRZOGSA-N 1 1 377.488 3.226 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246563674 1433631903 /nfs/dbraw/zinc/63/19/03/1433631903.db2.gz LAUITVKRPLQGNM-IIMJZQEZSA-N 1 1 386.927 3.487 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1Cl ZINC000246654839 1433646073 /nfs/dbraw/zinc/64/60/73/1433646073.db2.gz LLCSRLHDHVMBRM-LPHOPBHVSA-N 1 1 375.900 3.396 20 30 GGEDMO COc1cc(N[C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000246768413 1433662544 /nfs/dbraw/zinc/66/25/44/1433662544.db2.gz QJHHABNSQFQRDS-PGRDOPGGSA-N 1 1 381.476 3.185 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246790867 1433666986 /nfs/dbraw/zinc/66/69/86/1433666986.db2.gz MIRLTXZTQOZXLF-DXIQSLLYSA-N 1 1 380.536 3.270 20 30 GGEDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000246805612 1433670316 /nfs/dbraw/zinc/67/03/16/1433670316.db2.gz SYCVCHSPDRABQR-ILXRZTDVSA-N 1 1 375.538 3.308 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1C#N ZINC000246817877 1433673425 /nfs/dbraw/zinc/67/34/25/1433673425.db2.gz UDSMWXIPZYBGDR-OXJNMPFZSA-N 1 1 394.519 3.199 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1C#N ZINC000246817877 1433673428 /nfs/dbraw/zinc/67/34/28/1433673428.db2.gz UDSMWXIPZYBGDR-OXJNMPFZSA-N 1 1 394.519 3.199 20 30 GGEDMO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1=S ZINC000246872155 1433680989 /nfs/dbraw/zinc/68/09/89/1433680989.db2.gz DNTRVTBZBFAZCO-OALUTQOASA-N 1 1 398.580 3.426 20 30 GGEDMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247206043 1433690976 /nfs/dbraw/zinc/69/09/76/1433690976.db2.gz XNTSHAGKRSNTKH-DOTOQJQBSA-N 1 1 384.524 3.086 20 30 GGEDMO 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N#Cc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1Cl ZINC000247657369 1433744376 /nfs/dbraw/zinc/74/43/76/1433744376.db2.gz XJIRKWDROKNYMJ-PXNSSMCTSA-N 1 1 398.894 3.216 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000247708356 1433747403 /nfs/dbraw/zinc/74/74/03/1433747403.db2.gz ZNWKRURBBBLYRK-APWZRJJASA-N 1 1 375.538 3.404 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCS[C@H](C(C)C)C1 ZINC000247708356 1433747404 /nfs/dbraw/zinc/74/74/04/1433747404.db2.gz ZNWKRURBBBLYRK-APWZRJJASA-N 1 1 375.538 3.404 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000247708359 1433747701 /nfs/dbraw/zinc/74/77/01/1433747701.db2.gz ZNWKRURBBBLYRK-VQIMIIECSA-N 1 1 375.538 3.404 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000247708359 1433747706 /nfs/dbraw/zinc/74/77/06/1433747706.db2.gz ZNWKRURBBBLYRK-VQIMIIECSA-N 1 1 375.538 3.404 20 30 GGEDMO N#CC1(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000248173795 1433777381 /nfs/dbraw/zinc/77/73/81/1433777381.db2.gz VGKJYJZHFCLVMG-FCHUYYIVSA-N 1 1 394.563 3.316 20 30 GGEDMO N#CCCn1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000248174330 1433777939 /nfs/dbraw/zinc/77/79/39/1433777939.db2.gz VHYJWYCRJOGQAX-WOJBJXKFSA-N 1 1 392.507 3.315 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248369281 1433788274 /nfs/dbraw/zinc/78/82/74/1433788274.db2.gz WBWDBLXLPGNIFV-MSOLQXFVSA-N 1 1 390.487 3.027 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248369281 1433788275 /nfs/dbraw/zinc/78/82/75/1433788275.db2.gz WBWDBLXLPGNIFV-MSOLQXFVSA-N 1 1 390.487 3.027 20 30 GGEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000248394025 1433794774 /nfs/dbraw/zinc/79/47/74/1433794774.db2.gz HFQLGAGFPMXNDI-WOIUINJBSA-N 1 1 393.531 3.044 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248407687 1433799797 /nfs/dbraw/zinc/79/97/97/1433799797.db2.gz BSDPNHUNBHKTJX-LSDHHAIUSA-N 1 1 397.445 3.270 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248407687 1433799803 /nfs/dbraw/zinc/79/98/03/1433799803.db2.gz BSDPNHUNBHKTJX-LSDHHAIUSA-N 1 1 397.445 3.270 20 30 GGEDMO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248557215 1433808282 /nfs/dbraw/zinc/80/82/82/1433808282.db2.gz IKXPFPREJJVTAA-KPLVRAHFSA-N 1 1 380.536 3.296 20 30 GGEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1CCC[C@H](C(=O)OCC)C1)c1ccc(F)c(F)c1 ZINC000248558916 1433808367 /nfs/dbraw/zinc/80/83/67/1433808367.db2.gz LZNBIHDYIYWVMF-ALKREAHSSA-N 1 1 394.462 3.362 20 30 GGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000248612472 1433811392 /nfs/dbraw/zinc/81/13/92/1433811392.db2.gz GZIJQVHOEIIOTR-MOPGFXCFSA-N 1 1 385.508 3.375 20 30 GGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000248612472 1433811393 /nfs/dbraw/zinc/81/13/93/1433811393.db2.gz GZIJQVHOEIIOTR-MOPGFXCFSA-N 1 1 385.508 3.375 20 30 GGEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248743329 1433819295 /nfs/dbraw/zinc/81/92/95/1433819295.db2.gz MSNRSZFXLXZPIA-JAPVEFRCSA-N 1 1 395.528 3.484 20 30 GGEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248743329 1433819298 /nfs/dbraw/zinc/81/92/98/1433819298.db2.gz MSNRSZFXLXZPIA-JAPVEFRCSA-N 1 1 395.528 3.484 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000248748041 1433819655 /nfs/dbraw/zinc/81/96/55/1433819655.db2.gz SPMLIJAXMYTYEG-VLIAUNLRSA-N 1 1 375.469 3.006 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000248748041 1433819657 /nfs/dbraw/zinc/81/96/57/1433819657.db2.gz SPMLIJAXMYTYEG-VLIAUNLRSA-N 1 1 375.469 3.006 20 30 GGEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)C2=O)cc1 ZINC000248782410 1433822245 /nfs/dbraw/zinc/82/22/45/1433822245.db2.gz VNSPBRXZKHCBJJ-AQNXPRMDSA-N 1 1 385.533 3.040 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000248843924 1433825313 /nfs/dbraw/zinc/82/53/13/1433825313.db2.gz OBIRJKODPOXHSM-LAUBAEHRSA-N 1 1 392.503 3.244 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1C#N ZINC000248997066 1433831933 /nfs/dbraw/zinc/83/19/33/1433831933.db2.gz GVRHATZVEIBVOB-CCWDJLKJSA-N 1 1 380.492 3.138 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1C#N ZINC000248997066 1433831934 /nfs/dbraw/zinc/83/19/34/1433831934.db2.gz GVRHATZVEIBVOB-CCWDJLKJSA-N 1 1 380.492 3.138 20 30 GGEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@H](C)C1 ZINC000249090583 1433834909 /nfs/dbraw/zinc/83/49/09/1433834909.db2.gz KGDUPASNWPCENX-SJORKVTESA-N 1 1 395.528 3.237 20 30 GGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@H](C)C1 ZINC000249090583 1433834910 /nfs/dbraw/zinc/83/49/10/1433834910.db2.gz KGDUPASNWPCENX-SJORKVTESA-N 1 1 395.528 3.237 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)C2=O)cc1 ZINC000249102323 1433835442 /nfs/dbraw/zinc/83/54/42/1433835442.db2.gz FKOZJFAMTHFYQT-NQIIRXRSSA-N 1 1 388.471 3.014 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000249106887 1433835533 /nfs/dbraw/zinc/83/55/33/1433835533.db2.gz PQUYMNBZSLOXGC-MSOLQXFVSA-N 1 1 393.487 3.186 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000249106887 1433835535 /nfs/dbraw/zinc/83/55/35/1433835535.db2.gz PQUYMNBZSLOXGC-MSOLQXFVSA-N 1 1 393.487 3.186 20 30 GGEDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000249150861 1433837557 /nfs/dbraw/zinc/83/75/57/1433837557.db2.gz XQDNTUPJVAQQSR-CMKODMSKSA-N 1 1 385.508 3.070 20 30 GGEDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000249150861 1433837558 /nfs/dbraw/zinc/83/75/58/1433837558.db2.gz XQDNTUPJVAQQSR-CMKODMSKSA-N 1 1 385.508 3.070 20 30 GGEDMO C=CC[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000249288809 1433840590 /nfs/dbraw/zinc/84/05/90/1433840590.db2.gz UPBWEGBPYKISOM-SFTDATJTSA-N 1 1 377.488 3.435 20 30 GGEDMO C=CC[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000249288809 1433840591 /nfs/dbraw/zinc/84/05/91/1433840591.db2.gz UPBWEGBPYKISOM-SFTDATJTSA-N 1 1 377.488 3.435 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000249358408 1433841738 /nfs/dbraw/zinc/84/17/38/1433841738.db2.gz LHVWNECNSXUBCY-HZPDHXFCSA-N 1 1 390.553 3.247 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000249358406 1433841763 /nfs/dbraw/zinc/84/17/63/1433841763.db2.gz LHVWNECNSXUBCY-CVEARBPZSA-N 1 1 390.553 3.247 20 30 GGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000249396123 1433842749 /nfs/dbraw/zinc/84/27/49/1433842749.db2.gz SXYXZYXRKUEJRJ-HNAYVOBHSA-N 1 1 387.480 3.201 20 30 GGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000249396123 1433842750 /nfs/dbraw/zinc/84/27/50/1433842750.db2.gz SXYXZYXRKUEJRJ-HNAYVOBHSA-N 1 1 387.480 3.201 20 30 GGEDMO C=C[C@@H](CC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000249517730 1433845969 /nfs/dbraw/zinc/84/59/69/1433845969.db2.gz SLWPBHNHKDHAHX-XUZZJYLKSA-N 1 1 378.516 3.442 20 30 GGEDMO C#CC[N@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)[C@H]1CCc2ccccc21 ZINC000249731713 1433850288 /nfs/dbraw/zinc/85/02/88/1433850288.db2.gz UBISQEVQAPNOAK-REWPJTCUSA-N 1 1 378.472 3.007 20 30 GGEDMO CCCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000249739910 1433850528 /nfs/dbraw/zinc/85/05/28/1433850528.db2.gz DUJNYGPHZAUHMT-JTHBVZDNSA-N 1 1 384.568 3.417 20 30 GGEDMO CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000249739910 1433850529 /nfs/dbraw/zinc/85/05/29/1433850529.db2.gz DUJNYGPHZAUHMT-JTHBVZDNSA-N 1 1 384.568 3.417 20 30 GGEDMO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000249739910 1433850530 /nfs/dbraw/zinc/85/05/30/1433850530.db2.gz DUJNYGPHZAUHMT-JTHBVZDNSA-N 1 1 384.568 3.417 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000249770985 1433851787 /nfs/dbraw/zinc/85/17/87/1433851787.db2.gz SBLMPQPMIOOLHB-FUHWJXTLSA-N 1 1 381.480 3.201 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000249770985 1433851788 /nfs/dbraw/zinc/85/17/88/1433851788.db2.gz SBLMPQPMIOOLHB-FUHWJXTLSA-N 1 1 381.480 3.201 20 30 GGEDMO CCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000250011005 1433853967 /nfs/dbraw/zinc/85/39/67/1433853967.db2.gz KLQQEHDUANSKCN-YLJYHZDGSA-N 1 1 381.476 3.037 20 30 GGEDMO CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000250279442 1433855527 /nfs/dbraw/zinc/85/55/27/1433855527.db2.gz BODWXXMIOYCHEY-CTNGQTDRSA-N 1 1 396.535 3.072 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000251016666 1433857553 /nfs/dbraw/zinc/85/75/53/1433857553.db2.gz WWAFNQHCURYCNV-SJORKVTESA-N 1 1 390.553 3.297 20 30 GGEDMO Clc1cc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc2c1OCCO2 ZINC000255368147 1433881520 /nfs/dbraw/zinc/88/15/20/1433881520.db2.gz QXTMITPMFZIFOV-UHFFFAOYSA-N 1 1 388.851 3.499 20 30 GGEDMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)c1 ZINC000255717055 1433888533 /nfs/dbraw/zinc/88/85/33/1433888533.db2.gz WEVHBZJOOUVWSF-RXQFDZFGSA-N 1 1 375.472 3.485 20 30 GGEDMO O=C1[C@@H](O[NH+]=Cc2ccc(N3CCOCC3)cc2)CCN1c1cccc(Cl)c1 ZINC000255756027 1433888927 /nfs/dbraw/zinc/88/89/27/1433888927.db2.gz QHYZVQDSQCSJGY-FQEVSTJZSA-N 1 1 399.878 3.333 20 30 GGEDMO C=CCc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000255935155 1433892179 /nfs/dbraw/zinc/89/21/79/1433892179.db2.gz VXNGTDVIVHIBKP-UHFFFAOYSA-N 1 1 380.488 3.147 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)Cc2cccc(OCc3ccccc3C)c2)CC1 ZINC000261478376 1433896565 /nfs/dbraw/zinc/89/65/65/1433896565.db2.gz YYNNTSICZPZKKA-UHFFFAOYSA-N 1 1 376.500 3.284 20 30 GGEDMO C=CCc1ccc(OCC(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000261919123 1433912510 /nfs/dbraw/zinc/91/25/10/1433912510.db2.gz IJAWUDWJNAWFOT-IBGZPJMESA-N 1 1 384.451 3.115 20 30 GGEDMO C=CCc1cc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000261938161 1433914274 /nfs/dbraw/zinc/91/42/74/1433914274.db2.gz KDPJWSKHVGKTGE-IBGZPJMESA-N 1 1 384.451 3.358 20 30 GGEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261941117 1433914875 /nfs/dbraw/zinc/91/48/75/1433914875.db2.gz KMPBFPCDDGIPNY-LJQANCHMSA-N 1 1 398.894 3.035 20 30 GGEDMO [NH2+]=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262270489 1433933193 /nfs/dbraw/zinc/93/31/93/1433933193.db2.gz KJYVRFONEBZRKY-IBGZPJMESA-N 1 1 380.492 3.412 20 30 GGEDMO C[NH+]=C(NCc1nc(-c2ccc(OC)cc2)n[nH]1)N1CC[C@@H](c2ccccc2)C1 ZINC000262502820 1433941628 /nfs/dbraw/zinc/94/16/28/1433941628.db2.gz 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AODIMHBXNNKKQZ-INIZCTEOSA-N 1 1 385.424 3.144 20 30 GGEDMO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N ZINC000269866373 1434682623 /nfs/dbraw/zinc/68/26/23/1434682623.db2.gz WNOKZQDTDSAJCS-KBXCAEBGSA-N 1 1 385.468 3.075 20 30 GGEDMO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N ZINC000269866380 1434682628 /nfs/dbraw/zinc/68/26/28/1434682628.db2.gz WNOKZQDTDSAJCS-KSSFIOAISA-N 1 1 385.468 3.075 20 30 GGEDMO C#CC[C@@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000270118401 1434705225 /nfs/dbraw/zinc/70/52/25/1434705225.db2.gz JMJKFFONTPXZJG-NHCUHLMSSA-N 1 1 390.487 3.022 20 30 GGEDMO C#CC[C@@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000270118401 1434705228 /nfs/dbraw/zinc/70/52/28/1434705228.db2.gz JMJKFFONTPXZJG-NHCUHLMSSA-N 1 1 390.487 3.022 20 30 GGEDMO C=C[C@H](CC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1)c1ccccc1 ZINC000270299064 1434720978 /nfs/dbraw/zinc/72/09/78/1434720978.db2.gz NKJBJDMBAZQEPM-JOCHJYFZSA-N 1 1 393.531 3.492 20 30 GGEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c(C#N)c1C ZINC000270420199 1434731970 /nfs/dbraw/zinc/73/19/70/1434731970.db2.gz FZEFUZWKRKZXIN-MRXNPFEDSA-N 1 1 377.448 3.221 20 30 GGEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c(C#N)c1C ZINC000270420199 1434731971 /nfs/dbraw/zinc/73/19/71/1434731971.db2.gz FZEFUZWKRKZXIN-MRXNPFEDSA-N 1 1 377.448 3.221 20 30 GGEDMO COc1ccc(C[N@@H+](CCC(N)=O)Cc2ccccc2)cc1OCCCC#N ZINC000271025943 1434796865 /nfs/dbraw/zinc/79/68/65/1434796865.db2.gz DMFVYPDJVJPQRM-UHFFFAOYSA-N 1 1 381.476 3.255 20 30 GGEDMO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(SC)cc1OC ZINC000271037152 1434797629 /nfs/dbraw/zinc/79/76/29/1434797629.db2.gz KPXXPYTUCRPZGO-UHFFFAOYSA-N 1 1 384.505 3.015 20 30 GGEDMO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000271149268 1434804819 /nfs/dbraw/zinc/80/48/19/1434804819.db2.gz AJIIKEKNCPJWBW-UHFFFAOYSA-N 1 1 383.492 3.048 20 30 GGEDMO CCc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271174744 1434806350 /nfs/dbraw/zinc/80/63/50/1434806350.db2.gz NCZRJDJNNYGKFZ-UHFFFAOYSA-N 1 1 385.899 3.358 20 30 GGEDMO C[C@]1(CCCO)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000271189172 1434807283 /nfs/dbraw/zinc/80/72/83/1434807283.db2.gz LHXKZLSPUMJYEQ-HXUWFJFHSA-N 1 1 375.538 3.454 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@]2(C)CCCO)c1C#N ZINC000271204129 1434807917 /nfs/dbraw/zinc/80/79/17/1434807917.db2.gz RPPSQSZFZVNNNA-JOCHJYFZSA-N 1 1 398.507 3.183 20 30 GGEDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)[nH]1 ZINC000271254480 1434811119 /nfs/dbraw/zinc/81/11/19/1434811119.db2.gz FLZCMWPWOACYFI-GOSISDBHSA-N 1 1 375.480 3.270 20 30 GGEDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000271254480 1434811121 /nfs/dbraw/zinc/81/11/21/1434811121.db2.gz FLZCMWPWOACYFI-GOSISDBHSA-N 1 1 375.480 3.270 20 30 GGEDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000271254480 1434811122 /nfs/dbraw/zinc/81/11/22/1434811122.db2.gz FLZCMWPWOACYFI-GOSISDBHSA-N 1 1 375.480 3.270 20 30 GGEDMO Cc1nc([C@@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n[nH]1 ZINC000271254480 1434811123 /nfs/dbraw/zinc/81/11/23/1434811123.db2.gz FLZCMWPWOACYFI-GOSISDBHSA-N 1 1 375.480 3.270 20 30 GGEDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n[nH]1 ZINC000271254480 1434811125 /nfs/dbraw/zinc/81/11/25/1434811125.db2.gz FLZCMWPWOACYFI-GOSISDBHSA-N 1 1 375.480 3.270 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCc1cnccn1 ZINC000271396360 1434821557 /nfs/dbraw/zinc/82/15/57/1434821557.db2.gz WGTIYYRLAQSJEX-UHFFFAOYSA-N 1 1 383.521 3.182 20 30 GGEDMO CCC[N@@H+](CCC(=O)N(C)CCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000271552448 1434834190 /nfs/dbraw/zinc/83/41/90/1434834190.db2.gz NBLYLIVCRMCTDP-UHFFFAOYSA-N 1 1 389.887 3.364 20 30 GGEDMO C#CC[C@@H]([NH2+]Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1)c1ccccc1 ZINC000271700833 1434845061 /nfs/dbraw/zinc/84/50/61/1434845061.db2.gz MLFAEEZZKOCBRH-OAHLLOKOSA-N 1 1 389.381 3.396 20 30 GGEDMO Cn1cnc2cc(C[NH+]3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccc21 ZINC000271744537 1434847585 /nfs/dbraw/zinc/84/75/85/1434847585.db2.gz SCWAMSHJFZTSHC-UHFFFAOYSA-N 1 1 388.431 3.015 20 30 GGEDMO C#CCC[NH+]1CCN(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 ZINC000271985080 1434863729 /nfs/dbraw/zinc/86/37/29/1434863729.db2.gz CLFPLRRTELDKNX-UHFFFAOYSA-N 1 1 391.471 3.174 20 30 GGEDMO Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nn1CCC#N ZINC000272008917 1434865479 /nfs/dbraw/zinc/86/54/79/1434865479.db2.gz AJZCINBWSMCNFZ-MRXNPFEDSA-N 1 1 386.525 3.200 20 30 GGEDMO Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1CCC#N ZINC000272081302 1434870832 /nfs/dbraw/zinc/87/08/32/1434870832.db2.gz LQSJZONZMDNQII-LPHOPBHVSA-N 1 1 380.496 3.137 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272090720 1434871755 /nfs/dbraw/zinc/87/17/55/1434871755.db2.gz NBPIKMOLZINHIQ-LJQANCHMSA-N 1 1 395.511 3.019 20 30 GGEDMO Cc1cc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272116679 1434873070 /nfs/dbraw/zinc/87/30/70/1434873070.db2.gz RLIRKZMKAXNIGO-LJQANCHMSA-N 1 1 380.496 3.091 20 30 GGEDMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000272220616 1434878998 /nfs/dbraw/zinc/87/89/98/1434878998.db2.gz RWGDFGWULJSPPG-ZDUSSCGKSA-N 1 1 383.427 3.091 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000272220616 1434879000 /nfs/dbraw/zinc/87/90/00/1434879000.db2.gz RWGDFGWULJSPPG-ZDUSSCGKSA-N 1 1 383.427 3.091 20 30 GGEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000272220615 1434879032 /nfs/dbraw/zinc/87/90/32/1434879032.db2.gz RWGDFGWULJSPPG-CYBMUJFWSA-N 1 1 383.427 3.091 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000272220615 1434879034 /nfs/dbraw/zinc/87/90/34/1434879034.db2.gz RWGDFGWULJSPPG-CYBMUJFWSA-N 1 1 383.427 3.091 20 30 GGEDMO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272253502 1434881971 /nfs/dbraw/zinc/88/19/71/1434881971.db2.gz IRISGYZCTRKWQC-UHFFFAOYSA-N 1 1 396.498 3.148 20 30 GGEDMO Cn1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272253502 1434881972 /nfs/dbraw/zinc/88/19/72/1434881972.db2.gz IRISGYZCTRKWQC-UHFFFAOYSA-N 1 1 396.498 3.148 20 30 GGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@H]2C1 ZINC000272273451 1434883197 /nfs/dbraw/zinc/88/31/97/1434883197.db2.gz CREMEFRKTKFXON-WMZOPIPTSA-N 1 1 381.505 3.163 20 30 GGEDMO CC(C)c1nc([C@H]2CCC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000272284185 1434884294 /nfs/dbraw/zinc/88/42/94/1434884294.db2.gz GAEKUTYNDKZZMR-PKOBYXMFSA-N 1 1 393.491 3.440 20 30 GGEDMO CC(C)c1nc([C@H]2CCC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000272284185 1434884297 /nfs/dbraw/zinc/88/42/97/1434884297.db2.gz GAEKUTYNDKZZMR-PKOBYXMFSA-N 1 1 393.491 3.440 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C)c2[nH+]cccc21 ZINC000272289200 1434884567 /nfs/dbraw/zinc/88/45/67/1434884567.db2.gz ROPMRANGOYLVHN-HNNXBMFYSA-N 1 1 381.505 3.371 20 30 GGEDMO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000272309324 1434886214 /nfs/dbraw/zinc/88/62/14/1434886214.db2.gz FSASBCHCXXRXPI-ICSRJNTNSA-N 1 1 377.529 3.157 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272363577 1434890607 /nfs/dbraw/zinc/89/06/07/1434890607.db2.gz FSVJRHNYSUTTAU-YLJYHZDGSA-N 1 1 382.508 3.059 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272363575 1434890624 /nfs/dbraw/zinc/89/06/24/1434890624.db2.gz FSVJRHNYSUTTAU-PXNSSMCTSA-N 1 1 382.508 3.059 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000272444822 1434896745 /nfs/dbraw/zinc/89/67/45/1434896745.db2.gz JAIXPEWDNNJIER-YQQAZPJKSA-N 1 1 386.496 3.120 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000272444822 1434896746 /nfs/dbraw/zinc/89/67/46/1434896746.db2.gz JAIXPEWDNNJIER-YQQAZPJKSA-N 1 1 386.496 3.120 20 30 GGEDMO C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272471207 1434898694 /nfs/dbraw/zinc/89/86/94/1434898694.db2.gz TUIUMVBYXWMWGW-RXVVDRJESA-N 1 1 392.503 3.299 20 30 GGEDMO C=CCN(CCc1ccco1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000272513372 1434902560 /nfs/dbraw/zinc/90/25/60/1434902560.db2.gz XSEFRPAOPKZZOP-UHFFFAOYSA-N 1 1 383.492 3.052 20 30 GGEDMO COCC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccco1 ZINC000272532699 1434905087 /nfs/dbraw/zinc/90/50/87/1434905087.db2.gz ZCXVYDXNYXJOFJ-IAGOWNOFSA-N 1 1 385.464 3.291 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000272592115 1434911870 /nfs/dbraw/zinc/91/18/70/1434911870.db2.gz XKHCADXZOMPRDS-RHSMWYFYSA-N 1 1 397.479 3.343 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000272592115 1434911872 /nfs/dbraw/zinc/91/18/72/1434911872.db2.gz XKHCADXZOMPRDS-RHSMWYFYSA-N 1 1 397.479 3.343 20 30 GGEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc([C@@H]4CCCO4)s3)C2=O)cc1 ZINC000272621349 1434916352 /nfs/dbraw/zinc/91/63/52/1434916352.db2.gz WGAOLBCASVIGTD-ROUUACIJSA-N 1 1 382.489 3.151 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000272687575 1434922712 /nfs/dbraw/zinc/92/27/12/1434922712.db2.gz PORLFBHWDNHSPZ-INIZCTEOSA-N 1 1 384.505 3.431 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H](C)c2nccs2)c(OC)c1 ZINC000273097827 1434960466 /nfs/dbraw/zinc/96/04/66/1434960466.db2.gz VAABYDMRWGQXPW-WBVHZDCISA-N 1 1 376.522 3.355 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000273318934 1434980349 /nfs/dbraw/zinc/98/03/49/1434980349.db2.gz OWXJOPXIGJKNHD-KGVVXCLESA-N 1 1 390.574 3.361 20 30 GGEDMO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000273422177 1434987891 /nfs/dbraw/zinc/98/78/91/1434987891.db2.gz JXKLHSIOCWMGAL-GOSISDBHSA-N 1 1 394.494 3.175 20 30 GGEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273538493 1434995447 /nfs/dbraw/zinc/99/54/47/1434995447.db2.gz SOEFTMBMGUDZRD-URVUXULASA-N 1 1 384.451 3.289 20 30 GGEDMO CC(C)(C)c1nnc2ccc(N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)nn21 ZINC000274698400 1435086131 /nfs/dbraw/zinc/08/61/31/1435086131.db2.gz TVBZBMOMHLUSAR-UHFFFAOYSA-N 1 1 389.507 3.006 20 30 GGEDMO N#CCCCOc1cccnc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274885151 1435101049 /nfs/dbraw/zinc/10/10/49/1435101049.db2.gz GNUUUTVDEBGVRE-GOSISDBHSA-N 1 1 379.464 3.160 20 30 GGEDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000274984983 1435107720 /nfs/dbraw/zinc/10/77/20/1435107720.db2.gz YCAHPNWQOSIXRD-UHFFFAOYSA-N 1 1 381.476 3.220 20 30 GGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275991094 1435184359 /nfs/dbraw/zinc/18/43/59/1435184359.db2.gz GFEMQYHCDPPXHM-FXAWDEMLSA-N 1 1 379.508 3.054 20 30 GGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](N4CCCC4=O)C3)c2)c1 ZINC000276852097 1435237648 /nfs/dbraw/zinc/23/76/48/1435237648.db2.gz UYYZCVZJJJCIHU-OAQYLSRUSA-N 1 1 375.472 3.334 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277142052 1435267765 /nfs/dbraw/zinc/26/77/65/1435267765.db2.gz DWLCWSMVUYKJJT-MOPGFXCFSA-N 1 1 382.464 3.096 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277142052 1435267769 /nfs/dbraw/zinc/26/77/69/1435267769.db2.gz DWLCWSMVUYKJJT-MOPGFXCFSA-N 1 1 382.464 3.096 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ncsc3C(F)(F)F)CC2)cc1 ZINC000277258258 1435285813 /nfs/dbraw/zinc/28/58/13/1435285813.db2.gz AGSBQFHJLZJVKL-UHFFFAOYSA-N 1 1 394.422 3.382 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ncsc3C(F)(F)F)CC2)cc1 ZINC000277258258 1435285817 /nfs/dbraw/zinc/28/58/17/1435285817.db2.gz AGSBQFHJLZJVKL-UHFFFAOYSA-N 1 1 394.422 3.382 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(CO)(Cc3ccccc3)CC2)C1=O ZINC000277630414 1435317609 /nfs/dbraw/zinc/31/76/09/1435317609.db2.gz BFICIVARPJXAQE-IBGZPJMESA-N 1 1 395.528 3.042 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000277672242 1435320971 /nfs/dbraw/zinc/32/09/71/1435320971.db2.gz FTFHZQOGMVJLCZ-MAUKXSAKSA-N 1 1 378.398 3.094 20 30 GGEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H](O)COc1ccccc1 ZINC000277839305 1435334978 /nfs/dbraw/zinc/33/49/78/1435334978.db2.gz RWYZCSYXSHKEOH-LJQANCHMSA-N 1 1 381.476 3.037 20 30 GGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000278039325 1435352709 /nfs/dbraw/zinc/35/27/09/1435352709.db2.gz CFLSBBAQUBLIEN-HXUWFJFHSA-N 1 1 389.521 3.152 20 30 GGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000278039325 1435352712 /nfs/dbraw/zinc/35/27/12/1435352712.db2.gz CFLSBBAQUBLIEN-HXUWFJFHSA-N 1 1 389.521 3.152 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)no2)CC1 ZINC000278058900 1435354896 /nfs/dbraw/zinc/35/48/96/1435354896.db2.gz LVUAVJHEWBUAHT-UHFFFAOYSA-N 1 1 393.274 3.370 20 30 GGEDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000278401746 1435387753 /nfs/dbraw/zinc/38/77/53/1435387753.db2.gz WQBSZJBMRXPMPX-SIKLNZKXSA-N 1 1 380.488 3.071 20 30 GGEDMO COC[C@H](C)OC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000278458717 1435392643 /nfs/dbraw/zinc/39/26/43/1435392643.db2.gz YNKNPTWYOTUIOV-HTAPYJJXSA-N 1 1 386.467 3.112 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278690148 1435414317 /nfs/dbraw/zinc/41/43/17/1435414317.db2.gz PVTIKVWCXCSDRQ-KDURUIRLSA-N 1 1 380.540 3.316 20 30 GGEDMO CC(C)C[N@@H+]1CCC[C@@H](CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278701972 1435415205 /nfs/dbraw/zinc/41/52/05/1435415205.db2.gz QWMAVSWJHWLJSN-IBGZPJMESA-N 1 1 380.540 3.316 20 30 GGEDMO CC(C)C[N@H+]1CCC[C@@H](CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278701972 1435415206 /nfs/dbraw/zinc/41/52/06/1435415206.db2.gz QWMAVSWJHWLJSN-IBGZPJMESA-N 1 1 380.540 3.316 20 30 GGEDMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)CC(C)(C)C#N)CC3)n2)cc1 ZINC000278756777 1435420504 /nfs/dbraw/zinc/42/05/04/1435420504.db2.gz VZFCRRWGDMZCJZ-UHFFFAOYSA-N 1 1 395.507 3.062 20 30 GGEDMO CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1C#N ZINC000278830450 1435428487 /nfs/dbraw/zinc/42/84/87/1435428487.db2.gz JREDZSMBAXRSKD-MRXNPFEDSA-N 1 1 386.496 3.062 20 30 GGEDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc(N(C)CCC#N)cc3)n2)c1 ZINC000278871793 1435433947 /nfs/dbraw/zinc/43/39/47/1435433947.db2.gz YSEZEHLXFKHNEO-INIZCTEOSA-N 1 1 375.480 3.376 20 30 GGEDMO N#Cc1ccsc1N1CC[C@@H](N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000278937900 1435442384 /nfs/dbraw/zinc/44/23/84/1435442384.db2.gz UDZREGPZYDXIMW-GOSISDBHSA-N 1 1 395.532 3.137 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCSCC[C@@H]2C)c1C#N ZINC000279153530 1435465657 /nfs/dbraw/zinc/46/56/57/1435465657.db2.gz AQTVPKOBTKISAL-AWEZNQCLSA-N 1 1 386.521 3.384 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCSCC[C@@H]2C)c1C#N ZINC000279153530 1435465659 /nfs/dbraw/zinc/46/56/59/1435465659.db2.gz AQTVPKOBTKISAL-AWEZNQCLSA-N 1 1 386.521 3.384 20 30 GGEDMO N#CCCn1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(-c2ccncc2)n1 ZINC000279345668 1435489111 /nfs/dbraw/zinc/48/91/11/1435489111.db2.gz FKEBAJBWFCNGRO-UHFFFAOYSA-N 1 1 397.486 3.053 20 30 GGEDMO COC(=O)c1cc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)oc1C ZINC000279374932 1435492574 /nfs/dbraw/zinc/49/25/74/1435492574.db2.gz JLOOEBKCDIYPTD-UHFFFAOYSA-N 1 1 393.447 3.179 20 30 GGEDMO COC(=O)c1cc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)oc1C ZINC000279374932 1435492575 /nfs/dbraw/zinc/49/25/75/1435492575.db2.gz JLOOEBKCDIYPTD-UHFFFAOYSA-N 1 1 393.447 3.179 20 30 GGEDMO N#CCCn1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000279387609 1435493759 /nfs/dbraw/zinc/49/37/59/1435493759.db2.gz LAFHRNDCWFAXJZ-QFIPXVFZSA-N 1 1 387.487 3.302 20 30 GGEDMO N#CCCn1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000279387609 1435493761 /nfs/dbraw/zinc/49/37/61/1435493761.db2.gz LAFHRNDCWFAXJZ-QFIPXVFZSA-N 1 1 387.487 3.302 20 30 GGEDMO N#CCCn1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000279407657 1435496082 /nfs/dbraw/zinc/49/60/82/1435496082.db2.gz NFYCRNWXXGUPDI-UHFFFAOYSA-N 1 1 390.466 3.320 20 30 GGEDMO C=C[C@](C)(O)CC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279413423 1435496603 /nfs/dbraw/zinc/49/66/03/1435496603.db2.gz KRBGWTCZKWWMIK-MJGOQNOKSA-N 1 1 384.442 3.227 20 30 GGEDMO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1n1ccnc1 ZINC000279490802 1435505353 /nfs/dbraw/zinc/50/53/53/1435505353.db2.gz XYSHYDDCBGBBKT-PXNSSMCTSA-N 1 1 375.480 3.138 20 30 GGEDMO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1n1ccnc1 ZINC000279490805 1435505358 /nfs/dbraw/zinc/50/53/58/1435505358.db2.gz XYSHYDDCBGBBKT-XLIONFOSSA-N 1 1 375.480 3.138 20 30 GGEDMO N#Cc1cccc(-c2cc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)on2)c1 ZINC000279571192 1435514317 /nfs/dbraw/zinc/51/43/17/1435514317.db2.gz VXTMBXDFTXIRCS-FXAWDEMLSA-N 1 1 376.460 3.302 20 30 GGEDMO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000279697970 1435531099 /nfs/dbraw/zinc/53/10/99/1435531099.db2.gz JACLVSDCUZKZCJ-UXHICEINSA-N 1 1 376.460 3.177 20 30 GGEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)n1 ZINC000279696140 1435531286 /nfs/dbraw/zinc/53/12/86/1435531286.db2.gz IFLMQNBIQLODGW-OXQOHEQNSA-N 1 1 375.900 3.130 20 30 GGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)n1 ZINC000279696140 1435531291 /nfs/dbraw/zinc/53/12/91/1435531291.db2.gz IFLMQNBIQLODGW-OXQOHEQNSA-N 1 1 375.900 3.130 20 30 GGEDMO C[NH+](C)[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000279988695 1435573099 /nfs/dbraw/zinc/57/30/99/1435573099.db2.gz OQVKFAYLBBYULT-XLIONFOSSA-N 1 1 380.879 3.313 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@](C)(O)CC2)c1C#N ZINC000280046821 1435582844 /nfs/dbraw/zinc/58/28/44/1435582844.db2.gz LYICWWJCRZUBCK-HSZRJFAPSA-N 1 1 394.519 3.200 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@](C)(O)CC2)c1C#N ZINC000280046821 1435582856 /nfs/dbraw/zinc/58/28/56/1435582856.db2.gz LYICWWJCRZUBCK-HSZRJFAPSA-N 1 1 394.519 3.200 20 30 GGEDMO Cc1cc(N2CCC(NC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)nc(C)[nH+]1 ZINC000280071142 1435586668 /nfs/dbraw/zinc/58/66/68/1435586668.db2.gz XKCROOCYUPCSDO-UHFFFAOYSA-N 1 1 377.492 3.293 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000280171929 1435603514 /nfs/dbraw/zinc/60/35/14/1435603514.db2.gz SNYSYFUTJZSEGB-YSZBQJHXSA-N 1 1 386.499 3.410 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280289366 1435627143 /nfs/dbraw/zinc/62/71/43/1435627143.db2.gz FALLNCXLNRDCSR-YFXJRYMSSA-N 1 1 386.499 3.267 20 30 GGEDMO CO[C@]1(C)CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000280337063 1435638749 /nfs/dbraw/zinc/63/87/49/1435638749.db2.gz ICELURAMGYUOAT-LJQANCHMSA-N 1 1 382.426 3.064 20 30 GGEDMO Cc1cccc(CC2(O)CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000280344241 1435641166 /nfs/dbraw/zinc/64/11/66/1435641166.db2.gz IOQOODTUUPFEDP-SFHVURJKSA-N 1 1 377.488 3.263 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355862 1435642953 /nfs/dbraw/zinc/64/29/53/1435642953.db2.gz IQGNLQFGSDQXFV-WMZHIEFXSA-N 1 1 386.499 3.364 20 30 GGEDMO C[C@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000280381545 1435649789 /nfs/dbraw/zinc/64/97/89/1435649789.db2.gz MRMZGZAVLVJACA-CVDCTZTESA-N 1 1 386.499 3.364 20 30 GGEDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](C)O2 ZINC000280462508 1435664840 /nfs/dbraw/zinc/66/48/40/1435664840.db2.gz MJQLJOQLRGGZGK-FGSXEWAUSA-N 1 1 380.492 3.232 20 30 GGEDMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)c1ccccc1 ZINC000280484505 1435668000 /nfs/dbraw/zinc/66/80/00/1435668000.db2.gz AIIJNHNICFLMQQ-GOSISDBHSA-N 1 1 387.443 3.093 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](CC2CCC2)[C@@H](C)CO)c1C#N ZINC000280569723 1435681359 /nfs/dbraw/zinc/68/13/59/1435681359.db2.gz RUZHERSVJDYNIZ-HNNXBMFYSA-N 1 1 398.507 3.039 20 30 GGEDMO Cc1cccc(CC2(O)CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)c1 ZINC000280577545 1435682614 /nfs/dbraw/zinc/68/26/14/1435682614.db2.gz SOKFTBLHDNJUHW-UHFFFAOYSA-N 1 1 391.515 3.311 20 30 GGEDMO C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1C#N ZINC000280596916 1435685517 /nfs/dbraw/zinc/68/55/17/1435685517.db2.gz UUJNPYYYAJMCMU-MLGOLLRUSA-N 1 1 393.365 3.107 20 30 GGEDMO C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1C#N ZINC000280596918 1435685765 /nfs/dbraw/zinc/68/57/65/1435685765.db2.gz UUJNPYYYAJMCMU-WBMJQRKESA-N 1 1 393.365 3.107 20 30 GGEDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000280636485 1435694869 /nfs/dbraw/zinc/69/48/69/1435694869.db2.gz XUTQMXYFEJSPMR-JOCHJYFZSA-N 1 1 398.507 3.447 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280709152 1435707496 /nfs/dbraw/zinc/70/74/96/1435707496.db2.gz JCZWLNHAHPNOOH-GOEBONIOSA-N 1 1 391.821 3.036 20 30 GGEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000281131786 1435781104 /nfs/dbraw/zinc/78/11/04/1435781104.db2.gz XTFJORZUTKJECX-GOSISDBHSA-N 1 1 384.524 3.122 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000281142813 1435783874 /nfs/dbraw/zinc/78/38/74/1435783874.db2.gz ZIACQMDOFOKLBK-QFIPXVFZSA-N 1 1 392.503 3.236 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000281142813 1435783875 /nfs/dbraw/zinc/78/38/75/1435783875.db2.gz ZIACQMDOFOKLBK-QFIPXVFZSA-N 1 1 392.503 3.236 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000281164128 1435787402 /nfs/dbraw/zinc/78/74/02/1435787402.db2.gz CPHXJUBFIMOHTQ-HBMCJLEFSA-N 1 1 386.540 3.059 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000281164139 1435787496 /nfs/dbraw/zinc/78/74/96/1435787496.db2.gz CPHXJUBFIMOHTQ-NJYVYQBISA-N 1 1 386.540 3.059 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000281226888 1435799214 /nfs/dbraw/zinc/79/92/14/1435799214.db2.gz OQEFUIWISXVBJZ-JOCHJYFZSA-N 1 1 391.515 3.374 20 30 GGEDMO Cc1oc(C#N)cc1C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000281285195 1435802419 /nfs/dbraw/zinc/80/24/19/1435802419.db2.gz MJUIYTCYEMZQLB-QGZVFWFLSA-N 1 1 375.432 3.356 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000281286569 1435802430 /nfs/dbraw/zinc/80/24/30/1435802430.db2.gz OUCRBLNTENQLKA-UYAOXDASSA-N 1 1 391.519 3.471 20 30 GGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000281393914 1435807010 /nfs/dbraw/zinc/80/70/10/1435807010.db2.gz NBFGMYOPDLPKFV-OLQIXAPSSA-N 1 1 375.900 3.412 20 30 GGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000281393909 1435807029 /nfs/dbraw/zinc/80/70/29/1435807029.db2.gz NBFGMYOPDLPKFV-HQJJXPTPSA-N 1 1 375.900 3.412 20 30 GGEDMO C=CCN1CC[C@@H](N(C)C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1=O ZINC000281434223 1435808796 /nfs/dbraw/zinc/80/87/96/1435808796.db2.gz QWOJFHOLSRXBDP-JOCHJYFZSA-N 1 1 391.515 3.178 20 30 GGEDMO C[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000281504657 1435811682 /nfs/dbraw/zinc/81/16/82/1435811682.db2.gz WYPXKOUJYBWMMH-AEFFLSMTSA-N 1 1 377.492 3.127 20 30 GGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[C@H](C)C1 ZINC000282048937 1435832615 /nfs/dbraw/zinc/83/26/15/1435832615.db2.gz AYYBNYJNACAWNN-RHSMWYFYSA-N 1 1 384.480 3.056 20 30 GGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[C@H](C)C1 ZINC000282048937 1435832617 /nfs/dbraw/zinc/83/26/17/1435832617.db2.gz AYYBNYJNACAWNN-RHSMWYFYSA-N 1 1 384.480 3.056 20 30 GGEDMO COc1cc(OC)cc(N2CCC[N@@H+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000282060451 1435832984 /nfs/dbraw/zinc/83/29/84/1435832984.db2.gz SBAZQZHKJSXDIP-UHFFFAOYSA-N 1 1 387.524 3.316 20 30 GGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000282099199 1435834539 /nfs/dbraw/zinc/83/45/39/1435834539.db2.gz VYHIETSVSPRZKQ-GOSISDBHSA-N 1 1 375.900 3.478 20 30 GGEDMO C=CCn1c(-c2ccccc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000282157547 1435836772 /nfs/dbraw/zinc/83/67/72/1435836772.db2.gz CPYBBYVXFPFKMX-UHFFFAOYSA-N 1 1 394.567 3.126 20 30 GGEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000282172267 1435837257 /nfs/dbraw/zinc/83/72/57/1435837257.db2.gz DUPURFDNUNJYPH-TZIWHRDSSA-N 1 1 388.519 3.456 20 30 GGEDMO C=CCn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000282306700 1435842417 /nfs/dbraw/zinc/84/24/17/1435842417.db2.gz PCJLRIXRCWKXHL-KRWDZBQOSA-N 1 1 394.548 3.395 20 30 GGEDMO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000282316711 1435842878 /nfs/dbraw/zinc/84/28/78/1435842878.db2.gz PWSRBZJRWZQUKE-GOSISDBHSA-N 1 1 399.539 3.220 20 30 GGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000282545530 1435851088 /nfs/dbraw/zinc/85/10/88/1435851088.db2.gz SYHHBCULBIBVCC-GOSISDBHSA-N 1 1 380.496 3.219 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCC34CCOCC4)CC2)cc1 ZINC000282756283 1435859219 /nfs/dbraw/zinc/85/92/19/1435859219.db2.gz GSSSMACUUIPFMK-OAQYLSRUSA-N 1 1 396.535 3.125 20 30 GGEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000283396208 1435887833 /nfs/dbraw/zinc/88/78/33/1435887833.db2.gz WHQSPYSOHHAEQV-OALUTQOASA-N 1 1 397.571 3.346 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283674272 1435901328 /nfs/dbraw/zinc/90/13/28/1435901328.db2.gz VMRWIASQRYJFLX-OAQYLSRUSA-N 1 1 377.488 3.169 20 30 GGEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000284151025 1435999837 /nfs/dbraw/zinc/99/98/37/1435999837.db2.gz WOHIWGYXTLJXFJ-QUCCMNQESA-N 1 1 376.508 3.290 20 30 GGEDMO COc1ccc([C@@H](CN(C)C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000284243791 1436006675 /nfs/dbraw/zinc/00/66/75/1436006675.db2.gz FGDQDUWNSSKPTQ-XMMPIXPASA-N 1 1 392.547 3.424 20 30 GGEDMO C[C@@H]([NH2+]CC=CC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585805 1442322901 /nfs/dbraw/zinc/32/29/01/1442322901.db2.gz UJOPCBNDIIYSLZ-OPCNFVSTSA-N 1 1 387.491 3.296 20 30 GGEDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001164634024 719255640 /nfs/dbraw/zinc/25/56/40/719255640.db2.gz LYZFQVAKZPIEOW-HTQZYQBOSA-N 1 1 383.752 3.094 20 30 GGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001164634024 719255644 /nfs/dbraw/zinc/25/56/44/719255644.db2.gz LYZFQVAKZPIEOW-HTQZYQBOSA-N 1 1 383.752 3.094 20 30 GGEDMO Cc1ccc(CC#N)c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)[nH+]1 ZINC001164670069 719526494 /nfs/dbraw/zinc/52/64/94/719526494.db2.gz AWASBHHACVITIS-UHFFFAOYSA-N 1 1 394.494 3.467 20 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COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(Cl)c1C#N)C2 ZINC001164812118 720194675 /nfs/dbraw/zinc/19/46/75/720194675.db2.gz KUJOTVRMXQIJIZ-KUHUBIRLSA-N 1 1 395.334 3.445 20 30 GGEDMO N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1Cl ZINC001164721736 720336074 /nfs/dbraw/zinc/33/60/74/720336074.db2.gz DFEJWUMNWCFKAA-HZPDHXFCSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1Cl ZINC001164721736 720336082 /nfs/dbraw/zinc/33/60/82/720336082.db2.gz DFEJWUMNWCFKAA-HZPDHXFCSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724867 720342753 /nfs/dbraw/zinc/34/27/53/720342753.db2.gz LAYIJVQSFBYVFT-IAGOWNOFSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724867 720342757 /nfs/dbraw/zinc/34/27/57/720342757.db2.gz LAYIJVQSFBYVFT-IAGOWNOFSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725339 720364601 /nfs/dbraw/zinc/36/46/01/720364601.db2.gz MMFOBSOGMHFGFL-IAGOWNOFSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725339 720364607 /nfs/dbraw/zinc/36/46/07/720364607.db2.gz MMFOBSOGMHFGFL-IAGOWNOFSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc(Cl)n1 ZINC001164724306 720378948 /nfs/dbraw/zinc/37/89/48/720378948.db2.gz JJSVKJKIARNLFZ-DLBZAZTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc(Cl)n1 ZINC001164724306 720378955 /nfs/dbraw/zinc/37/89/55/720378955.db2.gz JJSVKJKIARNLFZ-DLBZAZTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722604 720390304 /nfs/dbraw/zinc/39/03/04/720390304.db2.gz DQHJYJMUUHMGAJ-HOTGVXAUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722604 720390311 /nfs/dbraw/zinc/39/03/11/720390311.db2.gz DQHJYJMUUHMGAJ-HOTGVXAUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725365 720391521 /nfs/dbraw/zinc/39/15/21/720391521.db2.gz MYWMIFPZIOKSBZ-JKSUJKDBSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164725365 720391524 /nfs/dbraw/zinc/39/15/24/720391524.db2.gz MYWMIFPZIOKSBZ-JKSUJKDBSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726361 720429311 /nfs/dbraw/zinc/42/93/11/720429311.db2.gz BVLKHXLFWJJEMQ-FGZHOGPDSA-N 1 1 382.471 3.263 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164837244 720512247 /nfs/dbraw/zinc/51/22/47/720512247.db2.gz OQZSFQIPLXEQHF-JENIJYKNSA-N 1 1 398.942 3.489 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(C#N)cc3Cl)CC[C@@H]21 ZINC001164833373 720512885 /nfs/dbraw/zinc/51/28/85/720512885.db2.gz DLCPJXCNSRARRR-AOIWGVFYSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(Cl)c(C#N)n3)CC[C@@H]21 ZINC001164839041 720514377 /nfs/dbraw/zinc/51/43/77/720514377.db2.gz SDYUOGYXAYMGBD-GJYPPUQNSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)cc(C#N)n3)CC[C@@H]21 ZINC001164835813 720531710 /nfs/dbraw/zinc/53/17/10/720531710.db2.gz HWOOIDQJRAKATK-SNRMKQJTSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)cc(C#N)n3)CC[C@@H]21 ZINC001164835812 720532306 /nfs/dbraw/zinc/53/23/06/720532306.db2.gz HWOOIDQJRAKATK-MNEFBYGVSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4[nH]c(C#N)cc4n3)CC[C@@H]21 ZINC001164835580 720595280 /nfs/dbraw/zinc/59/52/80/720595280.db2.gz BNDGGYSWJAOADO-MDKPJZGXSA-N 1 1 389.507 3.009 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)CCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841560 720605708 /nfs/dbraw/zinc/60/57/08/720605708.db2.gz TWJJHATZLWNVBQ-RZUBCFFCSA-N 1 1 390.535 3.016 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841555 720605864 /nfs/dbraw/zinc/60/58/64/720605864.db2.gz TWJJHATZLWNVBQ-JAXLGGSGSA-N 1 1 390.535 3.016 20 30 GGEDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)cc1C#N ZINC001164840264 720642544 /nfs/dbraw/zinc/64/25/44/720642544.db2.gz PQPAYVWRBKTTAS-CMKODMSKSA-N 1 1 398.942 3.489 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164841806 720671004 /nfs/dbraw/zinc/67/10/04/720671004.db2.gz QGKMISVZISNDBY-KRWDZBQOSA-N 1 1 397.910 3.262 20 30 GGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)CCCC3)[C@H]2C ZINC001164863589 721001047 /nfs/dbraw/zinc/00/10/47/721001047.db2.gz WZHMQHKUJGZBAD-INIZCTEOSA-N 1 1 378.524 3.450 20 30 GGEDMO CCCc1cc(C#N)c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1Cl ZINC001164762835 721152004 /nfs/dbraw/zinc/15/20/04/721152004.db2.gz DUYOCSATNWNBKU-MJGOQNOKSA-N 1 1 398.942 3.251 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@H]3C2)cn1 ZINC001164766482 721236409 /nfs/dbraw/zinc/23/64/09/721236409.db2.gz UJSVTHILTHLZCN-LEWJYISDSA-N 1 1 393.611 3.002 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@@H]3C2)cn1 ZINC001164766495 721236562 /nfs/dbraw/zinc/23/65/62/721236562.db2.gz UJSVTHILTHLZCN-SFTDATJTSA-N 1 1 393.611 3.002 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@H]3C2)cn1 ZINC001164766486 721236663 /nfs/dbraw/zinc/23/66/63/721236663.db2.gz UJSVTHILTHLZCN-NHCUHLMSSA-N 1 1 393.611 3.002 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@@H]3C2)cn1 ZINC001164766490 721236842 /nfs/dbraw/zinc/23/68/42/721236842.db2.gz UJSVTHILTHLZCN-RTWAWAEBSA-N 1 1 393.611 3.002 20 30 GGEDMO COc1cc(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)c(C#N)c(Cl)n1 ZINC001164772106 721291209 /nfs/dbraw/zinc/29/12/09/721291209.db2.gz FBRQLPCPROAUQM-UHFFFAOYSA-N 1 1 382.842 3.082 20 30 GGEDMO C[Si](C)(C)C#Cc1cccnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164787412 721418030 /nfs/dbraw/zinc/41/80/30/721418030.db2.gz QNAIQDFSLICXSO-ROUUACIJSA-N 1 1 382.609 3.335 20 30 GGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc(Cl)c1C#N)CC2 ZINC001164792163 721491935 /nfs/dbraw/zinc/49/19/35/721491935.db2.gz HONXZCYEWOYSRK-UHFFFAOYSA-N 1 1 382.899 3.278 20 30 GGEDMO COc1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C#N ZINC001164791484 721493829 /nfs/dbraw/zinc/49/38/29/721493829.db2.gz CSBAPZXEMQWFGL-UHFFFAOYSA-N 1 1 377.492 3.238 20 30 GGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164796403 721498769 /nfs/dbraw/zinc/49/87/69/721498769.db2.gz UWESFBMNOHDKQK-UHFFFAOYSA-N 1 1 387.491 3.106 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900310 721513321 /nfs/dbraw/zinc/51/33/21/721513321.db2.gz QALVKJVFLNHBIY-RDJZCZTQSA-N 1 1 386.858 3.396 20 30 GGEDMO N#CCc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164908060 721561684 /nfs/dbraw/zinc/56/16/84/721561684.db2.gz PQQCUHFAOUONBV-AEFFLSMTSA-N 1 1 386.858 3.282 20 30 GGEDMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)cc1C#N ZINC001164906454 721566360 /nfs/dbraw/zinc/56/63/60/721566360.db2.gz JISJLEWEUCIJAB-AEFFLSMTSA-N 1 1 386.858 3.396 20 30 GGEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(CC#N)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164811393 721586529 /nfs/dbraw/zinc/58/65/29/721586529.db2.gz XMUWBXHNEJZKME-AQNXPRMDSA-N 1 1 397.910 3.064 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(CC#N)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164811393 721586531 /nfs/dbraw/zinc/58/65/31/721586531.db2.gz XMUWBXHNEJZKME-AQNXPRMDSA-N 1 1 397.910 3.064 20 30 GGEDMO Cc1ccc(C#N)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908481 721692642 /nfs/dbraw/zinc/69/26/42/721692642.db2.gz ZJDZAZYWPQENFL-HXUWFJFHSA-N 1 1 383.446 3.394 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C#N)cc1C#N)C2 ZINC001164907777 721750350 /nfs/dbraw/zinc/75/03/50/721750350.db2.gz AKIYQDFTOYWVFM-UHFFFAOYSA-N 1 1 384.443 3.008 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C#N)cc1C#N)C2 ZINC001164907777 721750352 /nfs/dbraw/zinc/75/03/52/721750352.db2.gz AKIYQDFTOYWVFM-UHFFFAOYSA-N 1 1 384.443 3.008 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc(Cl)c3C#N)C[C@@H]21 ZINC001165024017 721805344 /nfs/dbraw/zinc/80/53/44/721805344.db2.gz KRHSWEOJXSJYPF-JCGIZDLHSA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cnc3C#N)C[C@@H]21 ZINC001165027718 721805399 /nfs/dbraw/zinc/80/53/99/721805399.db2.gz XMMNCHNVWOZAQB-QILLFSRXSA-N 1 1 382.899 3.134 20 30 GGEDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932339 721889778 /nfs/dbraw/zinc/88/97/78/721889778.db2.gz IVPOVJPNVOTQEZ-QZTJIDSGSA-N 1 1 387.890 3.114 20 30 GGEDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932339 721889780 /nfs/dbraw/zinc/88/97/80/721889780.db2.gz IVPOVJPNVOTQEZ-QZTJIDSGSA-N 1 1 387.890 3.114 20 30 GGEDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932338 721889947 /nfs/dbraw/zinc/88/99/47/721889947.db2.gz IVPOVJPNVOTQEZ-MSOLQXFVSA-N 1 1 387.890 3.114 20 30 GGEDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932338 721889949 /nfs/dbraw/zinc/88/99/49/721889949.db2.gz IVPOVJPNVOTQEZ-MSOLQXFVSA-N 1 1 387.890 3.114 20 30 GGEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)c12 ZINC001164935701 721890932 /nfs/dbraw/zinc/89/09/32/721890932.db2.gz WTJZYWDFJMYLBI-QZTJIDSGSA-N 1 1 383.927 3.283 20 30 GGEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)c12 ZINC001164935701 721890935 /nfs/dbraw/zinc/89/09/35/721890935.db2.gz WTJZYWDFJMYLBI-QZTJIDSGSA-N 1 1 383.927 3.283 20 30 GGEDMO CSc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1C#N ZINC001165037082 721913194 /nfs/dbraw/zinc/91/31/94/721913194.db2.gz GRJZLUOZYWMZOU-QGZVFWFLSA-N 1 1 395.532 3.038 20 30 GGEDMO COc1ccnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1C#N ZINC001164939925 721924199 /nfs/dbraw/zinc/92/41/99/721924199.db2.gz PODPERMEESROLZ-UHFFFAOYSA-N 1 1 392.503 3.142 20 30 GGEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165043265 721926736 /nfs/dbraw/zinc/92/67/36/721926736.db2.gz IFDPCGRZGGKOLO-GFCCVEGCSA-N 1 1 392.837 3.339 20 30 GGEDMO N#Cc1cc(C#N)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164952589 722017002 /nfs/dbraw/zinc/01/70/02/722017002.db2.gz OBTNGRGDGGXEML-UHFFFAOYSA-N 1 1 392.894 3.366 20 30 GGEDMO Cc1nc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1C#N ZINC001164953707 722018351 /nfs/dbraw/zinc/01/83/51/722018351.db2.gz XIAKKMCSJXRMEI-UHFFFAOYSA-N 1 1 382.899 3.198 20 30 GGEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164965314 722067862 /nfs/dbraw/zinc/06/78/62/722067862.db2.gz ISWBQPCICRIUFP-BGYRXZFFSA-N 1 1 378.451 3.059 20 30 GGEDMO N#Cc1ccc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973858 722111012 /nfs/dbraw/zinc/11/10/12/722111012.db2.gz HNLFECKAVAJTMM-GGAORHGYSA-N 1 1 399.498 3.229 20 30 GGEDMO N#Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc12 ZINC001164984993 722139592 /nfs/dbraw/zinc/13/95/92/722139592.db2.gz YRYKVFBCNKSDLT-WMZHIEFXSA-N 1 1 399.498 3.229 20 30 GGEDMO Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)cc1C#N ZINC001164971108 722155302 /nfs/dbraw/zinc/15/53/02/722155302.db2.gz AQTVUQRVBQOHEE-PXNSSMCTSA-N 1 1 397.910 3.037 20 30 GGEDMO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(CC#N)c(C)[nH+]4)CC[C@H]32)cs1 ZINC001164993343 722185455 /nfs/dbraw/zinc/18/54/55/722185455.db2.gz YZSPPLCNMJYQLX-UXHICEINSA-N 1 1 397.548 3.091 20 30 GGEDMO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(CC#N)c(C)[nH+]4)CC[C@@H]32)cs1 ZINC001164993345 722185499 /nfs/dbraw/zinc/18/54/99/722185499.db2.gz YZSPPLCNMJYQLX-VQTJNVASSA-N 1 1 397.548 3.091 20 30 GGEDMO N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993921 722198977 /nfs/dbraw/zinc/19/89/77/722198977.db2.gz JKSPFANRJJQOND-FQEVSTJZSA-N 1 1 381.411 3.245 20 30 GGEDMO N#Cc1c[nH]c2nc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)ncc12 ZINC001164995956 722206198 /nfs/dbraw/zinc/20/61/98/722206198.db2.gz QLBXNCPGOPTXDG-OAQYLSRUSA-N 1 1 376.439 3.214 20 30 GGEDMO COC(=O)c1cc(C#N)cnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164998973 722212116 /nfs/dbraw/zinc/21/21/16/722212116.db2.gz YZTQNMWGXRAYCG-QFIPXVFZSA-N 1 1 394.450 3.124 20 30 GGEDMO COC(=O)c1cc(C#N)cnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164998962 722212395 /nfs/dbraw/zinc/21/23/95/722212395.db2.gz YZTQNMWGXRAYCG-JOCHJYFZSA-N 1 1 394.450 3.124 20 30 GGEDMO C#CC[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1)C(C)(C)C ZINC001573283476 946718208 /nfs/dbraw/zinc/71/82/08/946718208.db2.gz SJMMYIFSGCENRW-UHFFFAOYSA-N 1 1 397.527 3.072 20 30 GGEDMO C#CC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1C1CCCC1)C(C)(C)C ZINC001573283476 946718213 /nfs/dbraw/zinc/71/82/13/946718213.db2.gz SJMMYIFSGCENRW-UHFFFAOYSA-N 1 1 397.527 3.072 20 30 GGEDMO C=CC[C@H]1[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCCC1(C)C ZINC001573329693 947425129 /nfs/dbraw/zinc/42/51/29/947425129.db2.gz NMBYTUAYLVEXCY-RTBURBONSA-N 1 1 394.523 3.429 20 30 GGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2 ZINC001573330602 947437463 /nfs/dbraw/zinc/43/74/63/947437463.db2.gz ZNWSGXVTLYTLCJ-CHWSQXEVSA-N 1 1 386.525 3.032 20 30 GGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2 ZINC001573330606 947438640 /nfs/dbraw/zinc/43/86/40/947438640.db2.gz ZNWSGXVTLYTLCJ-QWHCGFSZSA-N 1 1 386.525 3.032 20 30 GGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(C)c(F)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573341040 947523957 /nfs/dbraw/zinc/52/39/57/947523957.db2.gz GCMHKWGDZHBQGH-UHFFFAOYSA-N 1 1 394.454 3.331 20 30 GGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000014200954 210110773 /nfs/dbraw/zinc/11/07/73/210110773.db2.gz UMXZHSKIJGXQOE-UTKZUKDTSA-N 1 1 382.460 3.152 20 30 GGEDMO C#CC[C@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000089261524 209235007 /nfs/dbraw/zinc/23/50/07/209235007.db2.gz JODJKHZCAUQZST-QFIPXVFZSA-N 1 1 377.488 3.447 20 30 GGEDMO Cc1cnn(-c2ccc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2)c1 ZINC000045014120 209194361 /nfs/dbraw/zinc/19/43/61/209194361.db2.gz BDBIKEXVGGDLMP-UHFFFAOYSA-N 1 1 399.498 3.401 20 30 GGEDMO Cc1cnn(-c2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2)c1 ZINC000045014120 209194366 /nfs/dbraw/zinc/19/43/66/209194366.db2.gz BDBIKEXVGGDLMP-UHFFFAOYSA-N 1 1 399.498 3.401 20 30 GGEDMO CCN1CC[NH+]([C@@H](C)CNc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000071954184 212057858 /nfs/dbraw/zinc/05/78/58/212057858.db2.gz GVCZRWKRGDTXTA-KRWDZBQOSA-N 1 1 376.508 3.106 20 30 GGEDMO CN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1(C#N)CCCCC1 ZINC000008004363 523815815 /nfs/dbraw/zinc/81/58/15/523815815.db2.gz LSDYHSQSGPIJAI-UHFFFAOYSA-N 1 1 382.508 3.022 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1)C1CC1 ZINC000079093029 525736983 /nfs/dbraw/zinc/73/69/83/525736983.db2.gz DXYZCBVSFQNDGQ-FPOVZHCZSA-N 1 1 383.517 3.092 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1)C1CC1 ZINC000079093029 525737029 /nfs/dbraw/zinc/73/70/29/525737029.db2.gz DXYZCBVSFQNDGQ-FPOVZHCZSA-N 1 1 383.517 3.092 20 30 GGEDMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)Nc1cccc(C#N)c1 ZINC000008153604 564246474 /nfs/dbraw/zinc/24/64/74/564246474.db2.gz LNGGAHBVBYRUJK-UHFFFAOYSA-N 1 1 388.265 3.270 20 30 GGEDMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)Nc1cccc(C#N)c1 ZINC000008153604 564246476 /nfs/dbraw/zinc/24/64/76/564246476.db2.gz LNGGAHBVBYRUJK-UHFFFAOYSA-N 1 1 388.265 3.270 20 30 GGEDMO C[N@H+](Cc1ccc(Br)s1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000014200947 564280827 /nfs/dbraw/zinc/28/08/27/564280827.db2.gz QABMXFRYERPWJK-ZDUSSCGKSA-N 1 1 381.295 3.254 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000027230465 564353002 /nfs/dbraw/zinc/35/30/02/564353002.db2.gz CIQMIWRZRMWYAQ-GOSISDBHSA-N 1 1 378.314 3.468 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000027230465 564353006 /nfs/dbraw/zinc/35/30/06/564353006.db2.gz CIQMIWRZRMWYAQ-GOSISDBHSA-N 1 1 378.314 3.468 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Cl)cc1Br ZINC000121452727 564369526 /nfs/dbraw/zinc/36/95/26/564369526.db2.gz PTWJDKHJNHBSQW-UHFFFAOYSA-N 1 1 382.693 3.344 20 30 GGEDMO C[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1cccc(Cl)c1 ZINC000029861878 564374195 /nfs/dbraw/zinc/37/41/95/564374195.db2.gz OJBOURDFVJLFEW-UHFFFAOYSA-N 1 1 376.869 3.172 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1cccc(Cl)c1 ZINC000029861878 564374199 /nfs/dbraw/zinc/37/41/99/564374199.db2.gz OJBOURDFVJLFEW-UHFFFAOYSA-N 1 1 376.869 3.172 20 30 GGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125566310 564518427 /nfs/dbraw/zinc/51/84/27/564518427.db2.gz IAKMNNXJBMQJLC-QGZVFWFLSA-N 1 1 375.266 3.495 20 30 GGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125566310 564518429 /nfs/dbraw/zinc/51/84/29/564518429.db2.gz IAKMNNXJBMQJLC-QGZVFWFLSA-N 1 1 375.266 3.495 20 30 GGEDMO C[N@H+](CCOc1cccc(C#N)c1)CC(=O)Nc1ccccc1Br ZINC000051533770 564565921 /nfs/dbraw/zinc/56/59/21/564565921.db2.gz NOIZIOBBFGYMPG-UHFFFAOYSA-N 1 1 388.265 3.270 20 30 GGEDMO C[N@@H+](CCOc1cccc(C#N)c1)CC(=O)Nc1ccccc1Br ZINC000051533770 564565926 /nfs/dbraw/zinc/56/59/26/564565926.db2.gz NOIZIOBBFGYMPG-UHFFFAOYSA-N 1 1 388.265 3.270 20 30 GGEDMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000052580888 564574079 /nfs/dbraw/zinc/57/40/79/564574079.db2.gz CLXPBIVLKICTHZ-UHFFFAOYSA-N 1 1 392.322 3.473 20 30 GGEDMO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000052580888 564574083 /nfs/dbraw/zinc/57/40/83/564574083.db2.gz CLXPBIVLKICTHZ-UHFFFAOYSA-N 1 1 392.322 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1OC ZINC000130957825 564696942 /nfs/dbraw/zinc/69/69/42/564696942.db2.gz NIUDJPRWDUNREQ-AMXDTQDGSA-N 1 1 390.343 3.221 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc1OC ZINC000130957825 564696943 /nfs/dbraw/zinc/69/69/43/564696943.db2.gz NIUDJPRWDUNREQ-AMXDTQDGSA-N 1 1 390.343 3.221 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1Cl ZINC000065792765 564750425 /nfs/dbraw/zinc/75/04/25/564750425.db2.gz MHJMWZIVKHLYKA-UHFFFAOYSA-N 1 1 381.929 3.098 20 30 GGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000066424105 564765494 /nfs/dbraw/zinc/76/54/94/564765494.db2.gz LVYXNNFOUSDENA-AAEUAGOBSA-N 1 1 375.694 3.324 20 30 GGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000066424105 564765499 /nfs/dbraw/zinc/76/54/99/564765499.db2.gz LVYXNNFOUSDENA-AAEUAGOBSA-N 1 1 375.694 3.324 20 30 GGEDMO Cc1cc(N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)nc(C)[nH+]1 ZINC000133882323 564787825 /nfs/dbraw/zinc/78/78/25/564787825.db2.gz TUMVFKLPVALBIC-QGZVFWFLSA-N 1 1 386.297 3.243 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831414 564827537 /nfs/dbraw/zinc/82/75/37/564827537.db2.gz WLNDEESKYNHWTE-CQSZACIVSA-N 1 1 386.323 3.186 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831414 564827539 /nfs/dbraw/zinc/82/75/39/564827539.db2.gz WLNDEESKYNHWTE-CQSZACIVSA-N 1 1 386.323 3.186 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000068845898 564827584 /nfs/dbraw/zinc/82/75/84/564827584.db2.gz AANUJZYZRWWLHR-KRWDZBQOSA-N 1 1 375.266 3.192 20 30 GGEDMO C=CCNc1ncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000136231851 564847392 /nfs/dbraw/zinc/84/73/92/564847392.db2.gz GTNNUHDWKLFABS-AWEZNQCLSA-N 1 1 376.551 3.445 20 30 GGEDMO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1 ZINC000136842321 564855445 /nfs/dbraw/zinc/85/54/45/564855445.db2.gz PLCWRFVHDYNWHL-UHFFFAOYSA-N 1 1 399.292 3.110 20 30 GGEDMO Cn1cc(Br)cc1C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000151556951 564926629 /nfs/dbraw/zinc/92/66/29/564926629.db2.gz VGFBHIDKNXBLET-UHFFFAOYSA-N 1 1 381.299 3.181 20 30 GGEDMO Cn1cc(Br)cc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000151617028 564930334 /nfs/dbraw/zinc/93/03/34/564930334.db2.gz CUBGAWUULKPCKP-UHFFFAOYSA-N 1 1 375.270 3.120 20 30 GGEDMO C=CCNC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000104076378 564953135 /nfs/dbraw/zinc/95/31/35/564953135.db2.gz QPYADHRYRGXMQL-LJQANCHMSA-N 1 1 389.293 3.439 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000183573156 565079564 /nfs/dbraw/zinc/07/95/64/565079564.db2.gz JOYWVYFIFVVWSJ-OAHLLOKOSA-N 1 1 381.885 3.166 20 30 GGEDMO C[C@@H](C#N)CN(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000268612912 565159649 /nfs/dbraw/zinc/15/96/49/565159649.db2.gz WPHZNVCBBRLGPN-AWEZNQCLSA-N 1 1 393.329 3.215 20 30 GGEDMO CC(C)[NH+]1CCN(C2CCN(c3ccc(C#N)cc3Br)CC2)CC1 ZINC000270466501 565219541 /nfs/dbraw/zinc/21/95/41/565219541.db2.gz FKHHQIDNAASZPH-UHFFFAOYSA-N 1 1 391.357 3.316 20 30 GGEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000185931460 565230080 /nfs/dbraw/zinc/23/00/80/565230080.db2.gz CBENDBWLIQCTIO-INIZCTEOSA-N 1 1 380.330 3.464 20 30 GGEDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000185931474 565230335 /nfs/dbraw/zinc/23/03/35/565230335.db2.gz CBENDBWLIQCTIO-MRXNPFEDSA-N 1 1 380.330 3.464 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000294986898 565238297 /nfs/dbraw/zinc/23/82/97/565238297.db2.gz OFJXMMYIUKWZIS-UHFFFAOYSA-N 1 1 376.298 3.411 20 30 GGEDMO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(C#N)s3)CC2)cs1 ZINC000271280434 565246233 /nfs/dbraw/zinc/24/62/33/565246233.db2.gz PFRPDUGZLDETIO-CQSZACIVSA-N 1 1 376.551 3.492 20 30 GGEDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)cs1 ZINC000271280434 565246235 /nfs/dbraw/zinc/24/62/35/565246235.db2.gz PFRPDUGZLDETIO-CQSZACIVSA-N 1 1 376.551 3.492 20 30 GGEDMO C=CCN1CC(=O)N(C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000372919405 565260557 /nfs/dbraw/zinc/26/05/57/565260557.db2.gz YTFRWKVSLNMVAK-UHFFFAOYSA-N 1 1 382.291 3.408 20 30 GGEDMO C[C@@H]1C[N@H+](CC2CCN(c3ncc(Br)cc3C#N)CC2)C[C@H](C)O1 ZINC000295431208 565265629 /nfs/dbraw/zinc/26/56/29/565265629.db2.gz FSAMINHXRXQKAA-OKILXGFUSA-N 1 1 393.329 3.041 20 30 GGEDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1)C(N)=O ZINC000295546093 565272824 /nfs/dbraw/zinc/27/28/24/565272824.db2.gz JZHUMEFFEVASDU-CQSZACIVSA-N 1 1 378.314 3.434 20 30 GGEDMO N#Cc1cc(Br)cnc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000295560810 565273259 /nfs/dbraw/zinc/27/32/59/565273259.db2.gz QIXBQXCXHVFULO-UHFFFAOYSA-N 1 1 387.281 3.160 20 30 GGEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000186859922 565292000 /nfs/dbraw/zinc/29/20/00/565292000.db2.gz HTJYVEAOUKTQKB-AWEZNQCLSA-N 1 1 375.519 3.124 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000186916929 565294917 /nfs/dbraw/zinc/29/49/17/565294917.db2.gz JECMCBATIWPQOB-UHFFFAOYSA-N 1 1 382.835 3.288 20 30 GGEDMO Cc1nnc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 ZINC000273548681 565325058 /nfs/dbraw/zinc/32/50/58/565325058.db2.gz BPYYVPVFFLETGV-JTQLQIEISA-N 1 1 375.523 3.338 20 30 GGEDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cn1 ZINC000298595030 565421930 /nfs/dbraw/zinc/42/19/30/565421930.db2.gz RZNQJHYLANXTSN-SJKOYZFVSA-N 1 1 385.265 3.172 20 30 GGEDMO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cn1 ZINC000298698170 565426052 /nfs/dbraw/zinc/42/60/52/565426052.db2.gz ZSEUHDWFLKHTON-HZMBPMFUSA-N 1 1 391.294 3.233 20 30 GGEDMO C=C(C)C[NH+]1CCC(NC(=O)c2n[nH]c3ccc(Br)cc32)CC1 ZINC000171811696 565451696 /nfs/dbraw/zinc/45/16/96/565451696.db2.gz HHDVLOYCGMHZSW-UHFFFAOYSA-N 1 1 377.286 3.096 20 30 GGEDMO C=CCSCCNC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000171856035 565455477 /nfs/dbraw/zinc/45/54/77/565455477.db2.gz ASSBWRZQQRHBDN-UHFFFAOYSA-N 1 1 382.599 3.136 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000277041161 565472178 /nfs/dbraw/zinc/47/21/78/565472178.db2.gz KCQYRDYAJDROIM-UHFFFAOYSA-N 1 1 393.734 3.031 20 30 GGEDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3snc(Cl)c3C#N)C2)cc(OC)c1 ZINC000301541310 565493308 /nfs/dbraw/zinc/49/33/08/565493308.db2.gz BXKARJIKZYJXAU-GFCCVEGCSA-N 1 1 378.885 3.372 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@@H](Nc3snc(Cl)c3C#N)C2)cc(OC)c1 ZINC000301541310 565493314 /nfs/dbraw/zinc/49/33/14/565493314.db2.gz BXKARJIKZYJXAU-GFCCVEGCSA-N 1 1 378.885 3.372 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000189983761 565500825 /nfs/dbraw/zinc/50/08/25/565500825.db2.gz AAMKIVWPJXLVPH-CQSZACIVSA-N 1 1 375.519 3.353 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000189984844 565501021 /nfs/dbraw/zinc/50/10/21/565501021.db2.gz QEZQRNXMBQFZPZ-CQSZACIVSA-N 1 1 375.519 3.353 20 30 GGEDMO N#Cc1ccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(Br)c1 ZINC000301884200 565516205 /nfs/dbraw/zinc/51/62/05/565516205.db2.gz YSBBJRKFTQNZPQ-IAGOWNOFSA-N 1 1 386.293 3.368 20 30 GGEDMO N#Cc1ccc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(Br)c1 ZINC000301884200 565516210 /nfs/dbraw/zinc/51/62/10/565516210.db2.gz YSBBJRKFTQNZPQ-IAGOWNOFSA-N 1 1 386.293 3.368 20 30 GGEDMO C#CC[NH+]1CCC(c2nc([C@@H](OC)c3ccc(Br)cc3)no2)CC1 ZINC000277785003 565519910 /nfs/dbraw/zinc/51/99/10/565519910.db2.gz FJYVGNSROADFLK-INIZCTEOSA-N 1 1 390.281 3.381 20 30 GGEDMO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000390769038 565557588 /nfs/dbraw/zinc/55/75/88/565557588.db2.gz UKAIJZVOWRHRDY-AWEZNQCLSA-N 1 1 377.897 3.010 20 30 GGEDMO C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000390750173 565558188 /nfs/dbraw/zinc/55/81/88/565558188.db2.gz COANLTFDKZPGNR-CQSZACIVSA-N 1 1 377.897 3.010 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cc(F)ccc2Br)cc1 ZINC000391190486 565559758 /nfs/dbraw/zinc/55/97/58/565559758.db2.gz VOOHFPWMYOWMQJ-UHFFFAOYSA-N 1 1 397.269 3.023 20 30 GGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000303436439 565570112 /nfs/dbraw/zinc/57/01/12/565570112.db2.gz DPXYGPOFBQSWTP-AWEZNQCLSA-N 1 1 383.945 3.391 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408430384 565609825 /nfs/dbraw/zinc/60/98/25/565609825.db2.gz STTQIIPJMQRIDF-QLFBSQMISA-N 1 1 381.929 3.238 20 30 GGEDMO N#CCSCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000174126718 565615784 /nfs/dbraw/zinc/61/57/84/565615784.db2.gz CLLZHLCZYRZFKU-ZDUSSCGKSA-N 1 1 397.342 3.141 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000191787741 565631355 /nfs/dbraw/zinc/63/13/55/565631355.db2.gz OVAXTJNTUKFZNF-CQSZACIVSA-N 1 1 386.297 3.238 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000191815198 565635771 /nfs/dbraw/zinc/63/57/71/565635771.db2.gz YOCPQWSWDVKABX-KDOFPFPSSA-N 1 1 388.309 3.296 20 30 GGEDMO C[N@H+](Cc1cc(C#N)ccc1Br)CC(C)(C)CN1CCOCC1 ZINC000191815549 565635960 /nfs/dbraw/zinc/63/59/60/565635960.db2.gz DZPQLCQNCXILFI-UHFFFAOYSA-N 1 1 380.330 3.111 20 30 GGEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)CC(C)(C)CN1CCOCC1 ZINC000191815549 565635965 /nfs/dbraw/zinc/63/59/65/565635965.db2.gz DZPQLCQNCXILFI-UHFFFAOYSA-N 1 1 380.330 3.111 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328835155 565642988 /nfs/dbraw/zinc/64/29/88/565642988.db2.gz SGGGONUFGNVZCX-ZFVVBOAOSA-N 1 1 397.313 3.287 20 30 GGEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000328847128 565644960 /nfs/dbraw/zinc/64/49/60/565644960.db2.gz VRMWEJJBNNNLHG-RBSFLKMASA-N 1 1 398.276 3.152 20 30 GGEDMO COc1cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc(OC)c1Br ZINC000329213240 565659492 /nfs/dbraw/zinc/65/94/92/565659492.db2.gz JCONBBBVAQUYEZ-QWHCGFSZSA-N 1 1 398.301 3.228 20 30 GGEDMO COc1cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc(OC)c1Br ZINC000329213241 565659743 /nfs/dbraw/zinc/65/97/43/565659743.db2.gz JCONBBBVAQUYEZ-STQMWFEESA-N 1 1 398.301 3.228 20 30 GGEDMO CC(C)(C#N)CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000174838876 565662408 /nfs/dbraw/zinc/66/24/08/565662408.db2.gz PTZYCCQMJHHAOJ-UHFFFAOYSA-N 1 1 389.974 3.428 20 30 GGEDMO CC(C)(C#N)CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000174838876 565662411 /nfs/dbraw/zinc/66/24/11/565662411.db2.gz PTZYCCQMJHHAOJ-UHFFFAOYSA-N 1 1 389.974 3.428 20 30 GGEDMO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Br)cn1 ZINC000280318340 565665456 /nfs/dbraw/zinc/66/54/56/565665456.db2.gz GWNPZSVADMALEE-ZDUSSCGKSA-N 1 1 379.302 3.180 20 30 GGEDMO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329427267 565666067 /nfs/dbraw/zinc/66/60/67/565666067.db2.gz JDAYDPRKPCATBG-RISCZKNCSA-N 1 1 390.285 3.345 20 30 GGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@@H]2CO)sc2c1CCCCC2 ZINC000329682832 565675425 /nfs/dbraw/zinc/67/54/25/565675425.db2.gz YUDLJMMWCXEYMP-ZDUSSCGKSA-N 1 1 379.551 3.276 20 30 GGEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000329811621 565681047 /nfs/dbraw/zinc/68/10/47/565681047.db2.gz BXHMJDLNWGPUGT-MRXNPFEDSA-N 1 1 396.329 3.189 20 30 GGEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000175406440 565698378 /nfs/dbraw/zinc/69/83/78/565698378.db2.gz AHNKLZCKMHFMGT-YMXBGEKHSA-N 1 1 375.519 3.379 20 30 GGEDMO C[C@@H]1CN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)CC[N@H+]1CC(C)(C)O ZINC000330241303 565698647 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378.314 3.470 20 30 GGEDMO Cn1cc(Br)cc1C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000177113535 565829503 /nfs/dbraw/zinc/82/95/03/565829503.db2.gz FAUULRHFOKHWJS-UHFFFAOYSA-N 1 1 375.270 3.120 20 30 GGEDMO CC(C)(C#N)CNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413439838 565852771 /nfs/dbraw/zinc/85/27/71/565852771.db2.gz OBVWGZXSGNAYPH-UHFFFAOYSA-N 1 1 393.329 3.262 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3occc3Br)CC2)cc1 ZINC000177731373 565870207 /nfs/dbraw/zinc/87/02/07/565870207.db2.gz GHOFFHGHSQWGSV-UHFFFAOYSA-N 1 1 388.265 3.262 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3occc3Br)CC2)cc1 ZINC000177731373 565870210 /nfs/dbraw/zinc/87/02/10/565870210.db2.gz GHOFFHGHSQWGSV-UHFFFAOYSA-N 1 1 388.265 3.262 20 30 GGEDMO C[N@H+](CCC#N)C[C@H](O)Cn1cc(Br)c(-c2ccc(Cl)cc2)n1 ZINC000414161807 565900179 /nfs/dbraw/zinc/90/01/79/565900179.db2.gz KSZXOKRNGINIJY-AWEZNQCLSA-N 1 1 397.704 3.172 20 30 GGEDMO C[N@@H+](CCC#N)C[C@H](O)Cn1cc(Br)c(-c2ccc(Cl)cc2)n1 ZINC000414161807 565900182 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566097895 /nfs/dbraw/zinc/09/78/95/566097895.db2.gz YOCPQWSWDVKABX-KBXCAEBGSA-N 1 1 388.309 3.296 20 30 GGEDMO C[C@@H]1CC[C@@H](C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)O1 ZINC000249146926 566098263 /nfs/dbraw/zinc/09/82/63/566098263.db2.gz XAZMBUICQZLCHQ-FHLIZLRMSA-N 1 1 378.314 3.199 20 30 GGEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181041454 566108589 /nfs/dbraw/zinc/10/85/89/566108589.db2.gz AVEBLNOOUMCXLM-INIZCTEOSA-N 1 1 378.314 3.449 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181060821 566109652 /nfs/dbraw/zinc/10/96/52/566109652.db2.gz ZZRYUWLAQCRNRC-OAHLLOKOSA-N 1 1 378.314 3.449 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181060821 566109657 /nfs/dbraw/zinc/10/96/57/566109657.db2.gz ZZRYUWLAQCRNRC-OAHLLOKOSA-N 1 1 378.314 3.449 20 30 GGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000250352949 566110764 /nfs/dbraw/zinc/11/07/64/566110764.db2.gz LVYXNNFOUSDENA-WCQYABFASA-N 1 1 375.694 3.324 20 30 GGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000250352949 566110768 /nfs/dbraw/zinc/11/07/68/566110768.db2.gz LVYXNNFOUSDENA-WCQYABFASA-N 1 1 375.694 3.324 20 30 GGEDMO COc1cc[nH+]c(N2CCN(Cc3ccc(C#N)cc3Br)CC2)c1 ZINC000181087864 566111991 /nfs/dbraw/zinc/11/19/91/566111991.db2.gz FLTBJGFCTBLPHC-UHFFFAOYSA-N 1 1 387.281 3.047 20 30 GGEDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C#N)cc1Br)CC2 ZINC000181119508 566116920 /nfs/dbraw/zinc/11/69/20/566116920.db2.gz KHYXFOICLXISFB-IRXDYDNUSA-N 1 1 379.298 3.073 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c(Br)c1 ZINC000181149289 566119312 /nfs/dbraw/zinc/11/93/12/566119312.db2.gz HIIMBTJPWLFBHJ-UHFFFAOYSA-N 1 1 376.298 3.298 20 30 GGEDMO N#CCC[N@@H+](CC/C=C\c1ccc(Br)cc1)CCN1CCOCC1 ZINC000255542681 566121495 /nfs/dbraw/zinc/12/14/95/566121495.db2.gz OYIGWNOIJZXKIB-RJRFIUFISA-N 1 1 392.341 3.400 20 30 GGEDMO N#CCC[N@H+](CC/C=C\c1ccc(Br)cc1)CCN1CCOCC1 ZINC000255542681 566121501 /nfs/dbraw/zinc/12/15/01/566121501.db2.gz OYIGWNOIJZXKIB-RJRFIUFISA-N 1 1 392.341 3.400 20 30 GGEDMO C[N@H+]1CCC[C@H]1CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181441579 566140963 /nfs/dbraw/zinc/14/09/63/566140963.db2.gz MXJWNDOYVKGZKV-OALUTQOASA-N 1 1 391.357 3.116 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2snnc2C)cc1OC ZINC000291683419 566231161 /nfs/dbraw/zinc/23/11/61/566231161.db2.gz IADOWPXMWILDQQ-UHFFFAOYSA-N 1 1 384.299 3.472 20 30 GGEDMO C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183016613 566235271 /nfs/dbraw/zinc/23/52/71/566235271.db2.gz GYLSXKGYDIHXNJ-KBPBESRZSA-N 1 1 381.929 3.143 20 30 GGEDMO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COc1ccccc1C#N ZINC000599271571 566251916 /nfs/dbraw/zinc/25/19/16/566251916.db2.gz HCOGCFDJHASGSS-INIZCTEOSA-N 1 1 393.256 3.332 20 30 GGEDMO C[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)COc1ccccc1C#N ZINC000599271571 566251922 /nfs/dbraw/zinc/25/19/22/566251922.db2.gz HCOGCFDJHASGSS-INIZCTEOSA-N 1 1 393.256 3.332 20 30 GGEDMO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000508938115 566251969 /nfs/dbraw/zinc/25/19/69/566251969.db2.gz GVXJSIKKPDRFFV-MRXNPFEDSA-N 1 1 388.313 3.178 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599416141 566264501 /nfs/dbraw/zinc/26/45/01/566264501.db2.gz SZBFBGUNFXFRGD-OAHLLOKOSA-N 1 1 377.535 3.092 20 30 GGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526030 566272569 /nfs/dbraw/zinc/27/25/69/566272569.db2.gz CBZIIAFANAEXCE-CJNGLKHVSA-N 1 1 396.354 3.376 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000599542745 566273897 /nfs/dbraw/zinc/27/38/97/566273897.db2.gz WPHWUDRVUAHLNI-HWPZZCPQSA-N 1 1 388.256 3.432 20 30 GGEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000462511604 566316288 /nfs/dbraw/zinc/31/62/88/566316288.db2.gz OHUVFFGUDYZBGB-UHFFFAOYSA-N 1 1 381.929 3.098 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000420970368 566333629 /nfs/dbraw/zinc/33/36/29/566333629.db2.gz IKEGCYQLKOYDGX-VQIMIIECSA-N 1 1 390.325 3.264 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000420970368 566333640 /nfs/dbraw/zinc/33/36/40/566333640.db2.gz IKEGCYQLKOYDGX-VQIMIIECSA-N 1 1 390.325 3.264 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Cl)c(Br)c1 ZINC000556808351 566334014 /nfs/dbraw/zinc/33/40/14/566334014.db2.gz FNEFHVAHYGWYCG-UHFFFAOYSA-N 1 1 382.693 3.174 20 30 GGEDMO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(Br)cn1 ZINC000482965767 566345460 /nfs/dbraw/zinc/34/54/60/566345460.db2.gz VACDLIDLNPWINJ-AWEZNQCLSA-N 1 1 387.281 3.442 20 30 GGEDMO OC[C@]1(F)CC[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000670273648 566355837 /nfs/dbraw/zinc/35/58/37/566355837.db2.gz NRSBTJPQPCFMEM-STQMWFEESA-N 1 1 375.284 3.465 20 30 GGEDMO OC[C@]1(F)CC[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000670273648 566355842 /nfs/dbraw/zinc/35/58/42/566355842.db2.gz NRSBTJPQPCFMEM-STQMWFEESA-N 1 1 375.284 3.465 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)cc1OC ZINC000421361828 566368549 /nfs/dbraw/zinc/36/85/49/566368549.db2.gz LWKIMKKYIYXTRF-HIFRSBDPSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)cc1OC ZINC000421361828 566368554 /nfs/dbraw/zinc/36/85/54/566368554.db2.gz LWKIMKKYIYXTRF-HIFRSBDPSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cc1OC ZINC000421361830 566368566 /nfs/dbraw/zinc/36/85/66/566368566.db2.gz LWKIMKKYIYXTRF-ZFWWWQNUSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)cc1OC ZINC000421361830 566368572 /nfs/dbraw/zinc/36/85/72/566368572.db2.gz LWKIMKKYIYXTRF-ZFWWWQNUSA-N 1 1 384.314 3.473 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccncc3Br)C2=O)cc1 ZINC000601113720 566392398 /nfs/dbraw/zinc/39/23/98/566392398.db2.gz PXGRZLAGXGYRRZ-QGZVFWFLSA-N 1 1 385.265 3.001 20 30 GGEDMO Cc1cc(N2CCC[C@@H]([NH+]3CCC(C#N)CC3)C2=O)ccc1Br ZINC000463529759 566416794 /nfs/dbraw/zinc/41/67/94/566416794.db2.gz ZZDSJRRNMYMDKL-QGZVFWFLSA-N 1 1 376.298 3.489 20 30 GGEDMO CC(C)(C#N)CCS(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000577442825 566435166 /nfs/dbraw/zinc/43/51/66/566435166.db2.gz CYSNLVKVAJVXEP-KRWDZBQOSA-N 1 1 383.945 3.336 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000537288828 566435587 /nfs/dbraw/zinc/43/55/87/566435587.db2.gz ARDAMNCHVGGJEU-UHFFFAOYSA-N 1 1 383.323 3.268 20 30 GGEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCOC2CCC2)CC1 ZINC000558102129 566448654 /nfs/dbraw/zinc/44/86/54/566448654.db2.gz PIUSYGLZXDZEBH-SFHVURJKSA-N 1 1 378.314 3.200 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](CCC)CC(=O)N(C)C)cc1OC ZINC000511503147 566468085 /nfs/dbraw/zinc/46/80/85/566468085.db2.gz GLICWSFRXZCZGD-UHFFFAOYSA-N 1 1 399.329 3.323 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](CCC)CC(=O)N(C)C)cc1OC ZINC000511503147 566468093 /nfs/dbraw/zinc/46/80/93/566468093.db2.gz GLICWSFRXZCZGD-UHFFFAOYSA-N 1 1 399.329 3.323 20 30 GGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000602438158 566472213 /nfs/dbraw/zinc/47/22/13/566472213.db2.gz BJSAVIXDHMUYRA-UHFFFAOYSA-N 1 1 377.897 3.270 20 30 GGEDMO CC[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444826 566472567 /nfs/dbraw/zinc/47/25/67/566472567.db2.gz QPSANAFXEWMMQU-ZDUSSCGKSA-N 1 1 377.897 3.442 20 30 GGEDMO C[C@@H](CCC#N)C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000602468274 566472614 /nfs/dbraw/zinc/47/26/14/566472614.db2.gz ZXXVVIDKOKYALC-ZDUSSCGKSA-N 1 1 375.947 3.038 20 30 GGEDMO N#Cc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1Br ZINC000448586354 566480638 /nfs/dbraw/zinc/48/06/38/566480638.db2.gz XHPXVJXCYHHQGU-OAHLLOKOSA-N 1 1 388.265 3.481 20 30 GGEDMO N#Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000448609429 566481764 /nfs/dbraw/zinc/48/17/64/566481764.db2.gz YLNLCWJIIKWOMP-INIZCTEOSA-N 1 1 384.277 3.325 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000448654577 566485368 /nfs/dbraw/zinc/48/53/68/566485368.db2.gz IJPVEFIPOKJGIF-UHFFFAOYSA-N 1 1 384.277 3.109 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000448654577 566485374 /nfs/dbraw/zinc/48/53/74/566485374.db2.gz IJPVEFIPOKJGIF-UHFFFAOYSA-N 1 1 384.277 3.109 20 30 GGEDMO N#Cc1cccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1Br ZINC000448653907 566486070 /nfs/dbraw/zinc/48/60/70/566486070.db2.gz DXMNXLANSXMYRA-UHFFFAOYSA-N 1 1 384.277 3.109 20 30 GGEDMO N#Cc1cccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)c1Br ZINC000448653907 566486077 /nfs/dbraw/zinc/48/60/77/566486077.db2.gz DXMNXLANSXMYRA-UHFFFAOYSA-N 1 1 384.277 3.109 20 30 GGEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000558775740 566505463 /nfs/dbraw/zinc/50/54/63/566505463.db2.gz XLOCKLXBVVXLNJ-INIZCTEOSA-N 1 1 398.315 3.446 20 30 GGEDMO C=CCn1c(SC[C@@H](O)C[N@H+](C)C2CC2)nnc1-c1ccc(Cl)cc1 ZINC000578476041 566525817 /nfs/dbraw/zinc/52/58/17/566525817.db2.gz UUFGLZDIOCYTJC-INIZCTEOSA-N 1 1 378.929 3.332 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)ccc1Br ZINC000578827933 566557162 /nfs/dbraw/zinc/55/71/62/566557162.db2.gz SEQGZYJMEKGUSY-UHFFFAOYSA-N 1 1 382.693 3.174 20 30 GGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000559791603 566570283 /nfs/dbraw/zinc/57/02/83/566570283.db2.gz VVVRBPKYMREFEY-UHFFFAOYSA-N 1 1 380.897 3.184 20 30 GGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000559791603 566570291 /nfs/dbraw/zinc/57/02/91/566570291.db2.gz VVVRBPKYMREFEY-UHFFFAOYSA-N 1 1 380.897 3.184 20 30 GGEDMO O[C@H](COc1ccc(F)cc1)C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674463883 566595071 /nfs/dbraw/zinc/59/50/71/566595071.db2.gz UNIKWRUDQGCKJV-DRZSPHRISA-N 1 1 375.284 3.238 20 30 GGEDMO O[C@H](COc1ccc(F)cc1)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674463885 566595232 /nfs/dbraw/zinc/59/52/32/566595232.db2.gz UNIKWRUDQGCKJV-WCFLWFBJSA-N 1 1 375.284 3.238 20 30 GGEDMO O[C@H](COc1ccc(F)cc1)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674463885 566595240 /nfs/dbraw/zinc/59/52/40/566595240.db2.gz UNIKWRUDQGCKJV-WCFLWFBJSA-N 1 1 375.284 3.238 20 30 GGEDMO O[C@H](COc1ccc(F)cc1)C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674463882 566595264 /nfs/dbraw/zinc/59/52/64/566595264.db2.gz UNIKWRUDQGCKJV-CYZMBNFOSA-N 1 1 375.284 3.238 20 30 GGEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cn1 ZINC000579542909 566616987 /nfs/dbraw/zinc/61/69/87/566616987.db2.gz ABBILEOEHBXCBW-ACJLOTCBSA-N 1 1 399.292 3.167 20 30 GGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000449973228 566621401 /nfs/dbraw/zinc/62/14/01/566621401.db2.gz QMZMRTYGSWSABQ-HIFRSBDPSA-N 1 1 394.313 3.031 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(Br)c1 ZINC000560532254 566635067 /nfs/dbraw/zinc/63/50/67/566635067.db2.gz PIBMVDGRLOYVKL-UHFFFAOYSA-N 1 1 391.313 3.315 20 30 GGEDMO COC(=O)[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425513467 566651092 /nfs/dbraw/zinc/65/10/92/566651092.db2.gz RUWKDQKFBNORBX-RRQGHBQHSA-N 1 1 390.281 3.081 20 30 GGEDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425513467 566651099 /nfs/dbraw/zinc/65/10/99/566651099.db2.gz RUWKDQKFBNORBX-RRQGHBQHSA-N 1 1 390.281 3.081 20 30 GGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)c(OC)c(OCC)c2)C1=O ZINC000467523564 566652218 /nfs/dbraw/zinc/65/22/18/566652218.db2.gz VVQONHINNGAEAC-HNNXBMFYSA-N 1 1 397.313 3.075 20 30 GGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)c(OC)c(OCC)c2)C1=O ZINC000467523564 566652228 /nfs/dbraw/zinc/65/22/28/566652228.db2.gz VVQONHINNGAEAC-HNNXBMFYSA-N 1 1 397.313 3.075 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](Nc2ncc(Br)cc2C#N)[C@H](C)C1 ZINC000450340293 566660663 /nfs/dbraw/zinc/66/06/63/566660663.db2.gz VARQVSRGZZPXSB-CJNGLKHVSA-N 1 1 381.318 3.265 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc(Br)cc2C#N)[C@H](C)C1 ZINC000450340294 566660700 /nfs/dbraw/zinc/66/07/00/566660700.db2.gz VARQVSRGZZPXSB-CZUORRHYSA-N 1 1 381.318 3.265 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000580510197 566699347 /nfs/dbraw/zinc/69/93/47/566699347.db2.gz CBPCVWZMOCHTKS-HOCLYGCPSA-N 1 1 390.325 3.264 20 30 GGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487983136 566700749 /nfs/dbraw/zinc/70/07/49/566700749.db2.gz KDNDNUAHVXMSOC-CYBMUJFWSA-N 1 1 379.302 3.420 20 30 GGEDMO N#Cc1cccc(OCC[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488199146 566714331 /nfs/dbraw/zinc/71/43/31/566714331.db2.gz MUGJZSJFKFTFRM-UHFFFAOYSA-N 1 1 375.266 3.194 20 30 GGEDMO COc1ccc(C[N@@H+](CCO)Cc2cccc(Br)c2)cc1C#N ZINC000488229909 566715643 /nfs/dbraw/zinc/71/56/43/566715643.db2.gz IMSIPZQPRQPGPC-UHFFFAOYSA-N 1 1 375.266 3.324 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000580724162 566718547 /nfs/dbraw/zinc/71/85/47/566718547.db2.gz ACRAHMOFBMAIQV-UHFFFAOYSA-N 1 1 376.298 3.269 20 30 GGEDMO CC(C)[C@@H](C#N)N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000609485809 566767443 /nfs/dbraw/zinc/76/74/43/566767443.db2.gz YCIJBHHOGHDWPM-QGZVFWFLSA-N 1 1 383.323 3.488 20 30 GGEDMO CC(C)[C@H](C#N)N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000609485808 566767462 /nfs/dbraw/zinc/76/74/62/566767462.db2.gz YCIJBHHOGHDWPM-KRWDZBQOSA-N 1 1 383.323 3.488 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1C)c1ccsc1 ZINC000609632235 566777400 /nfs/dbraw/zinc/77/74/00/566777400.db2.gz ZRNXKZXDZDNJQG-KRWDZBQOSA-N 1 1 377.535 3.290 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1C)c1ccsc1 ZINC000609632239 566777544 /nfs/dbraw/zinc/77/75/44/566777544.db2.gz ZRNXKZXDZDNJQG-QGZVFWFLSA-N 1 1 377.535 3.290 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000562312975 566779531 /nfs/dbraw/zinc/77/95/31/566779531.db2.gz WPEFYVRMTWGDHL-QGZVFWFLSA-N 1 1 376.865 3.099 20 30 GGEDMO N#Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]2c2ccc(Br)s2)C(N)=O)cc1 ZINC000562315133 566780445 /nfs/dbraw/zinc/78/04/45/566780445.db2.gz ORBYASXOSGKYCV-JMSVASOKSA-N 1 1 376.279 3.054 20 30 GGEDMO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000427659078 566786117 /nfs/dbraw/zinc/78/61/17/566786117.db2.gz FKNUVJMQHLOMJF-HNNXBMFYSA-N 1 1 394.313 3.016 20 30 GGEDMO C[N@@H+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C2(CCCCC2)C1 ZINC000451289349 566790239 /nfs/dbraw/zinc/79/02/39/566790239.db2.gz VLMHKTYWKPESFM-UHFFFAOYSA-N 1 1 381.929 3.045 20 30 GGEDMO C[N@H+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C2(CCCCC2)C1 ZINC000451289349 566790245 /nfs/dbraw/zinc/79/02/45/566790245.db2.gz VLMHKTYWKPESFM-UHFFFAOYSA-N 1 1 381.929 3.045 20 30 GGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451306959 566793464 /nfs/dbraw/zinc/79/34/64/566793464.db2.gz TWPYWGJPUOAZGX-QLFBSQMISA-N 1 1 383.945 3.051 20 30 GGEDMO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH+]1CCC(CC#N)CC1 ZINC000562653775 566810739 /nfs/dbraw/zinc/81/07/39/566810739.db2.gz WCLJCUIVWNRRDX-CYBMUJFWSA-N 1 1 394.313 3.088 20 30 GGEDMO N#CCC1(CS(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000581984572 566820410 /nfs/dbraw/zinc/82/04/10/566820410.db2.gz LKOYHSUKTFFWJP-QGZVFWFLSA-N 1 1 381.929 3.090 20 30 GGEDMO C[N@@H+](CCc1ccc(Br)cc1)CC(=O)NCc1ccc(C#N)cc1 ZINC000517382927 566823948 /nfs/dbraw/zinc/82/39/48/566823948.db2.gz DMWVYIPGVUQXNQ-UHFFFAOYSA-N 1 1 386.293 3.111 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(I)cc1)[NH+]1CCC(CC#N)CC1 ZINC000542880390 566834415 /nfs/dbraw/zinc/83/44/15/566834415.db2.gz COLGDPXYFMFMOI-LBPRGKRZSA-N 1 1 397.260 3.244 20 30 GGEDMO CC(=O)NCC[N@H+](Cc1ccc(Br)cc1C#N)C1CCSCC1 ZINC000517768765 566845087 /nfs/dbraw/zinc/84/50/87/566845087.db2.gz LFDLXKKNJAHWRP-UHFFFAOYSA-N 1 1 396.354 3.154 20 30 GGEDMO CC(=O)NCC[N@@H+](Cc1ccc(Br)cc1C#N)C1CCSCC1 ZINC000517768765 566845090 /nfs/dbraw/zinc/84/50/90/566845090.db2.gz LFDLXKKNJAHWRP-UHFFFAOYSA-N 1 1 396.354 3.154 20 30 GGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000428485931 566848572 /nfs/dbraw/zinc/84/85/72/566848572.db2.gz WFJCZBTZSMYRML-CYBMUJFWSA-N 1 1 376.806 3.405 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](CCCc3ccccc3Br)CC2)nc1 ZINC000543138563 566855210 /nfs/dbraw/zinc/85/52/10/566855210.db2.gz KMUYEQXINRBKKQ-UHFFFAOYSA-N 1 1 385.309 3.471 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCOc3cccc(Br)c3)C2)nc1 ZINC000428776844 566876143 /nfs/dbraw/zinc/87/61/43/566876143.db2.gz GECPKPVQDNYYLR-QGZVFWFLSA-N 1 1 388.265 3.248 20 30 GGEDMO COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428775737 566876396 /nfs/dbraw/zinc/87/63/96/566876396.db2.gz ATMDYAGNKPFJOS-MRXNPFEDSA-N 1 1 388.265 3.378 20 30 GGEDMO COc1ccc(Br)cc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428775737 566876398 /nfs/dbraw/zinc/87/63/98/566876398.db2.gz ATMDYAGNKPFJOS-MRXNPFEDSA-N 1 1 388.265 3.378 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCOc3ccc(Br)cc3)C2)nc1 ZINC000428797572 566879335 /nfs/dbraw/zinc/87/93/35/566879335.db2.gz DNXBHADWOMFNOR-KRWDZBQOSA-N 1 1 388.265 3.248 20 30 GGEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H](C)O1 ZINC000611092836 566889439 /nfs/dbraw/zinc/88/94/39/566889439.db2.gz JFWIQCBOFGFBBB-TXEJJXNPSA-N 1 1 384.307 3.483 20 30 GGEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H](C)O1 ZINC000611092836 566889447 /nfs/dbraw/zinc/88/94/47/566889447.db2.gz JFWIQCBOFGFBBB-TXEJJXNPSA-N 1 1 384.307 3.483 20 30 GGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429006775 566899573 /nfs/dbraw/zinc/89/95/73/566899573.db2.gz UGCXECKRIJJYLD-BLLLJJGKSA-N 1 1 387.293 3.024 20 30 GGEDMO C[C@](CO)([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000451892350 566902428 /nfs/dbraw/zinc/90/24/28/566902428.db2.gz PDLIMOKLVURGAI-QGZVFWFLSA-N 1 1 384.307 3.133 20 30 GGEDMO CCC[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@@H+]1CCOC ZINC000611237970 566903592 /nfs/dbraw/zinc/90/35/92/566903592.db2.gz GSWOTAJGWLYPGK-CQSZACIVSA-N 1 1 384.307 3.438 20 30 GGEDMO CCC[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@H+]1CCOC ZINC000611237970 566903597 /nfs/dbraw/zinc/90/35/97/566903597.db2.gz GSWOTAJGWLYPGK-CQSZACIVSA-N 1 1 384.307 3.438 20 30 GGEDMO C=CCOCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000470774501 566903920 /nfs/dbraw/zinc/90/39/20/566903920.db2.gz USEVONBVPABONO-AWEZNQCLSA-N 1 1 382.302 3.087 20 30 GGEDMO CCC[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@@H+]1CCOC ZINC000611237964 566904035 /nfs/dbraw/zinc/90/40/35/566904035.db2.gz GSWOTAJGWLYPGK-AWEZNQCLSA-N 1 1 384.307 3.438 20 30 GGEDMO CCC[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@H+]1CCOC ZINC000611237964 566904039 /nfs/dbraw/zinc/90/40/39/566904039.db2.gz GSWOTAJGWLYPGK-AWEZNQCLSA-N 1 1 384.307 3.438 20 30 GGEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000543726010 566905373 /nfs/dbraw/zinc/90/53/73/566905373.db2.gz PMXYQJKVOARHRP-MRXNPFEDSA-N 1 1 398.315 3.446 20 30 GGEDMO COc1cc[nH+]c(N2CCN(Cc3ccc(Br)cc3C#N)CC2)c1 ZINC000582923674 566905833 /nfs/dbraw/zinc/90/58/33/566905833.db2.gz WZVYUKLWJYUPNS-UHFFFAOYSA-N 1 1 387.281 3.047 20 30 GGEDMO N#CCCCCS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000518845809 566906429 /nfs/dbraw/zinc/90/64/29/566906429.db2.gz VYPHAPCXTAIGPC-SFHVURJKSA-N 1 1 383.945 3.308 20 30 GGEDMO N#CCCCCS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000518845809 566906434 /nfs/dbraw/zinc/90/64/34/566906434.db2.gz VYPHAPCXTAIGPC-SFHVURJKSA-N 1 1 383.945 3.308 20 30 GGEDMO C[N@@H+](CCn1cc(Br)cn1)Cc1cccc(OCCCC#N)c1 ZINC000563839942 566921390 /nfs/dbraw/zinc/92/13/90/566921390.db2.gz CTTVHIOFGNVMLE-UHFFFAOYSA-N 1 1 377.286 3.460 20 30 GGEDMO COc1cc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)ccc1C#N ZINC000492059639 566922734 /nfs/dbraw/zinc/92/27/34/566922734.db2.gz HEAUKWMIQIOCPX-MRXNPFEDSA-N 1 1 379.229 3.292 20 30 GGEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)C(C)C)nc2sc(C)c(C)c2c1=O ZINC000656692724 566933636 /nfs/dbraw/zinc/93/36/36/566933636.db2.gz HKHQNIHINIHFSH-CQSZACIVSA-N 1 1 381.567 3.054 20 30 GGEDMO C=CC[N@H+](C)CCN(CC)Cc1nnc(-c2ccccc2Br)o1 ZINC000429717755 566945706 /nfs/dbraw/zinc/94/57/06/566945706.db2.gz MDXXSIMVNYZUOK-UHFFFAOYSA-N 1 1 379.302 3.439 20 30 GGEDMO C=CC[N@H+](C)CCN(CC)CC(=O)Nc1ccc(Br)cc1Cl ZINC000429727514 566946152 /nfs/dbraw/zinc/94/61/52/566946152.db2.gz VCMKFIKKKRPNHC-UHFFFAOYSA-N 1 1 388.737 3.481 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000429837183 566956013 /nfs/dbraw/zinc/95/60/13/566956013.db2.gz BGVDMKIQMPUKER-UHFFFAOYSA-N 1 1 393.734 3.031 20 30 GGEDMO N#Cc1c(Br)cccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000519677623 566958445 /nfs/dbraw/zinc/95/84/45/566958445.db2.gz UCKWPXXVLGXISG-MRXNPFEDSA-N 1 1 386.293 3.499 20 30 GGEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338357 566965095 /nfs/dbraw/zinc/96/50/95/566965095.db2.gz AVTVWHIRIZAIIN-AHIWAGSCSA-N 1 1 376.298 3.123 20 30 GGEDMO N#CCCC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000583812287 566985606 /nfs/dbraw/zinc/98/56/06/566985606.db2.gz AWGMQULNNOTOFO-MRXNPFEDSA-N 1 1 390.281 3.097 20 30 GGEDMO COc1c(Br)cccc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430160136 566994264 /nfs/dbraw/zinc/99/42/64/566994264.db2.gz AMRRQKUMSQEFLI-OAHLLOKOSA-N 1 1 388.265 3.378 20 30 GGEDMO COc1c(Br)cccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430160136 566994270 /nfs/dbraw/zinc/99/42/70/566994270.db2.gz AMRRQKUMSQEFLI-OAHLLOKOSA-N 1 1 388.265 3.378 20 30 GGEDMO Cc1nn(C)c(N2CC[NH+](CCSc3ccc(Cl)cc3)CC2)c1C#N ZINC000472157902 567005257 /nfs/dbraw/zinc/00/52/57/567005257.db2.gz PEXXOBOQMIBGIB-UHFFFAOYSA-N 1 1 375.929 3.168 20 30 GGEDMO CCc1nc(C[NH+]2CCC(CNc3nccc(C#N)c3Cl)CC2)cs1 ZINC000584178873 567019309 /nfs/dbraw/zinc/01/93/09/567019309.db2.gz ODCMZUKLCPMPPM-UHFFFAOYSA-N 1 1 375.929 3.372 20 30 GGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000565046034 567033182 /nfs/dbraw/zinc/03/31/82/567033182.db2.gz IGJJRKOAYYQPTR-UHFFFAOYSA-N 1 1 377.897 3.270 20 30 GGEDMO C[NH+]1CCN(c2ncc(Br)cc2NCc2cccc(C#N)c2)CC1 ZINC000453052738 567048987 /nfs/dbraw/zinc/04/89/87/567048987.db2.gz NCHCDOZQNIGVMS-UHFFFAOYSA-N 1 1 386.297 3.080 20 30 GGEDMO C[NH+]1CCN(c2ncc(Br)cc2NCc2ccc(C#N)s2)CC1 ZINC000453056286 567051690 /nfs/dbraw/zinc/05/16/90/567051690.db2.gz YNRMKXKFJDQMHN-UHFFFAOYSA-N 1 1 392.326 3.141 20 30 GGEDMO N#Cc1cc(Br)ccc1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000588198363 567120961 /nfs/dbraw/zinc/12/09/61/567120961.db2.gz GELCHGGDHXVLRC-SFHVURJKSA-N 1 1 378.314 3.007 20 30 GGEDMO C[N@H+](CCOc1cccc(Cl)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000432778473 567191126 /nfs/dbraw/zinc/19/11/26/567191126.db2.gz YNRYVYCWORXBRG-MRXNPFEDSA-N 1 1 375.881 3.389 20 30 GGEDMO C[N@@H+](CCOc1cccc(Cl)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000432778473 567191134 /nfs/dbraw/zinc/19/11/34/567191134.db2.gz YNRYVYCWORXBRG-MRXNPFEDSA-N 1 1 375.881 3.389 20 30 GGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000547291767 567197149 /nfs/dbraw/zinc/19/71/49/567197149.db2.gz WEDIEPIFGIVEPO-UHFFFAOYSA-N 1 1 376.298 3.300 20 30 GGEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000547291767 567197157 /nfs/dbraw/zinc/19/71/57/567197157.db2.gz WEDIEPIFGIVEPO-UHFFFAOYSA-N 1 1 376.298 3.300 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cn4ccc(Br)cc4n3)C2)nc1 ZINC000590051992 567205811 /nfs/dbraw/zinc/20/58/11/567205811.db2.gz OMQCFEQFUOQDKI-INIZCTEOSA-N 1 1 398.264 3.017 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)nc1 ZINC000590051992 567205821 /nfs/dbraw/zinc/20/58/21/567205821.db2.gz OMQCFEQFUOQDKI-INIZCTEOSA-N 1 1 398.264 3.017 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432999833 567214336 /nfs/dbraw/zinc/21/43/36/567214336.db2.gz DBRPRYODTVNPNM-BBRMVZONSA-N 1 1 392.297 3.058 20 30 GGEDMO C=CCOCC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000590648939 567236641 /nfs/dbraw/zinc/23/66/41/567236641.db2.gz HHJRHDZMVWUGQI-UHFFFAOYSA-N 1 1 384.263 3.258 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433303032 567239614 /nfs/dbraw/zinc/23/96/14/567239614.db2.gz ZLKSDZVGWWORNN-VQIMIIECSA-N 1 1 392.341 3.368 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433303026 567240169 /nfs/dbraw/zinc/24/01/69/567240169.db2.gz ZLKSDZVGWWORNN-APWZRJJASA-N 1 1 392.341 3.368 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433306460 567241891 /nfs/dbraw/zinc/24/18/91/567241891.db2.gz SDGIGRKBPDNLNK-RDJZCZTQSA-N 1 1 392.341 3.322 20 30 GGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433303733 567242176 /nfs/dbraw/zinc/24/21/76/567242176.db2.gz LZCLKHJPEXLBST-HOCLYGCPSA-N 1 1 378.314 3.074 20 30 GGEDMO C=CCOc1cccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000475433120 567248662 /nfs/dbraw/zinc/24/86/62/567248662.db2.gz WGNPPPLJTIDUSH-KRWDZBQOSA-N 1 1 375.266 3.330 20 30 GGEDMO C=CCOc1c(Br)cc(CNCC[N@H+]2CC[C@H](C)C2)cc1OC ZINC000525800504 567266392 /nfs/dbraw/zinc/26/63/92/567266392.db2.gz UNDGABKRUQOZKY-AWEZNQCLSA-N 1 1 383.330 3.454 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH2+]CCN2CC[C@H](C)C2)cc1OC ZINC000525800504 567266393 /nfs/dbraw/zinc/26/63/93/567266393.db2.gz UNDGABKRUQOZKY-AWEZNQCLSA-N 1 1 383.330 3.454 20 30 GGEDMO N#Cc1cccc(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000591127436 567266415 /nfs/dbraw/zinc/26/64/15/567266415.db2.gz SPDHAIAOJWJAOP-UHFFFAOYSA-N 1 1 399.292 3.110 20 30 GGEDMO C=CCOc1c(Br)cc(CNCC[N@H+]2CC[C@@H](C)C2)cc1OC ZINC000525800505 567266717 /nfs/dbraw/zinc/26/67/17/567266717.db2.gz UNDGABKRUQOZKY-CQSZACIVSA-N 1 1 383.330 3.454 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH2+]CCN2CC[C@@H](C)C2)cc1OC ZINC000525800505 567266724 /nfs/dbraw/zinc/26/67/24/567266724.db2.gz UNDGABKRUQOZKY-CQSZACIVSA-N 1 1 383.330 3.454 20 30 GGEDMO C=CCN1CC[C@H]([N@H+](Cc2cccc(Br)c2)C2CCOCC2)C1=O ZINC000499722140 567267813 /nfs/dbraw/zinc/26/78/13/567267813.db2.gz YBIYPUBHTSOLAX-SFHVURJKSA-N 1 1 393.325 3.217 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000567724333 567272427 /nfs/dbraw/zinc/27/24/27/567272427.db2.gz ZHKAJNMAPFCUIO-NVXWUHKLSA-N 1 1 375.881 3.410 20 30 GGEDMO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(I)cc2)nn1 ZINC000591659774 567290206 /nfs/dbraw/zinc/29/02/06/567290206.db2.gz XEWJSBMDHHLJFZ-OAHLLOKOSA-N 1 1 382.249 3.310 20 30 GGEDMO C=CCN1CC[C@H]([N@@H+](C)CCOc2ccc(Cl)cc2Br)C1=O ZINC000500028125 567291493 /nfs/dbraw/zinc/29/14/93/567291493.db2.gz WVBWMDMOYMVWJC-AWEZNQCLSA-N 1 1 387.705 3.200 20 30 GGEDMO C[NH+](C)[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000548450353 567317184 /nfs/dbraw/zinc/31/71/84/567317184.db2.gz LGGYFCQABGIRTJ-QGZVFWFLSA-N 1 1 383.945 3.336 20 30 GGEDMO N#Cc1cnn2cc(C[N@@H+]3CC[C@@H](Cc4ccc(Br)cc4)C3)cnc12 ZINC000592514488 567344350 /nfs/dbraw/zinc/34/43/50/567344350.db2.gz DJKCXYWXJNNVIA-HNNXBMFYSA-N 1 1 396.292 3.428 20 30 GGEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 ZINC000548978573 567364329 /nfs/dbraw/zinc/36/43/29/567364329.db2.gz DNACGUBRSPONCL-INIZCTEOSA-N 1 1 398.315 3.446 20 30 GGEDMO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435643004 567381090 /nfs/dbraw/zinc/38/10/90/567381090.db2.gz AJLOVJYGWVBMJD-INIZCTEOSA-N 1 1 381.929 3.287 20 30 GGEDMO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000593993562 567450344 /nfs/dbraw/zinc/45/03/44/567450344.db2.gz WBTHUYNPDFNLBJ-MRXNPFEDSA-N 1 1 376.298 3.057 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000594103932 567460417 /nfs/dbraw/zinc/46/04/17/567460417.db2.gz OUZZBTNFDRPHTQ-HOTGVXAUSA-N 1 1 377.286 3.459 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Br)co3)CC2)cc1 ZINC000457392854 567462880 /nfs/dbraw/zinc/46/28/80/567462880.db2.gz CQSHZQVWJYLKFX-UHFFFAOYSA-N 1 1 388.265 3.262 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Br)co3)CC2)cc1 ZINC000457392854 567462886 /nfs/dbraw/zinc/46/28/86/567462886.db2.gz CQSHZQVWJYLKFX-UHFFFAOYSA-N 1 1 388.265 3.262 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000594753329 567506898 /nfs/dbraw/zinc/50/68/98/567506898.db2.gz IOPLPNUSYJPCIZ-OAHLLOKOSA-N 1 1 377.535 3.044 20 30 GGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438840669 567550178 /nfs/dbraw/zinc/55/01/78/567550178.db2.gz NUKRZDPFJCDCOA-QGZVFWFLSA-N 1 1 393.256 3.332 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1OCC ZINC000552071652 567555215 /nfs/dbraw/zinc/55/52/15/567555215.db2.gz XEQCZEMBMBKIAR-HNNXBMFYSA-N 1 1 397.313 3.075 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cc1OCC ZINC000552071652 567555221 /nfs/dbraw/zinc/55/52/21/567555221.db2.gz XEQCZEMBMBKIAR-HNNXBMFYSA-N 1 1 397.313 3.075 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000595473076 567566965 /nfs/dbraw/zinc/56/69/65/567566965.db2.gz UEWUBZIRLKFUMO-KRWDZBQOSA-N 1 1 378.314 3.007 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000595473076 567566968 /nfs/dbraw/zinc/56/69/68/567566968.db2.gz UEWUBZIRLKFUMO-KRWDZBQOSA-N 1 1 378.314 3.007 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(Br)cc1 ZINC000552224563 567569140 /nfs/dbraw/zinc/56/91/40/567569140.db2.gz ZQALDTKQFKMJDT-UHFFFAOYSA-N 1 1 391.313 3.315 20 30 GGEDMO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000571653014 567579979 /nfs/dbraw/zinc/57/99/79/567579979.db2.gz FDIZFDXKRCJBFN-INIZCTEOSA-N 1 1 376.298 3.057 20 30 GGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000439448428 567587334 /nfs/dbraw/zinc/58/73/34/567587334.db2.gz GWXZGOBROVYJCM-ZDUSSCGKSA-N 1 1 377.897 3.313 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(O)c3Br)CC2)cc1 ZINC000459296521 567613173 /nfs/dbraw/zinc/61/31/73/567613173.db2.gz QRRXEOORGIGSKK-UHFFFAOYSA-N 1 1 386.293 3.344 20 30 GGEDMO C=CCOc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000506613677 567633824 /nfs/dbraw/zinc/63/38/24/567633824.db2.gz SLEJETXENABIKP-KRWDZBQOSA-N 1 1 375.266 3.330 20 30 GGEDMO C=CCOc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000506617399 567634174 /nfs/dbraw/zinc/63/41/74/567634174.db2.gz JALGCHIGUFDFSJ-QGZVFWFLSA-N 1 1 375.266 3.330 20 30 GGEDMO Cc1c(Br)cncc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596980470 567668394 /nfs/dbraw/zinc/66/83/94/567668394.db2.gz OOODQJVCHWJEAH-UHFFFAOYSA-N 1 1 385.309 3.342 20 30 GGEDMO N#Cc1ccncc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000553637163 567672416 /nfs/dbraw/zinc/67/24/16/567672416.db2.gz JUWPYALAUNFZTI-UHFFFAOYSA-N 1 1 399.292 3.110 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000553863388 567693765 /nfs/dbraw/zinc/69/37/65/567693765.db2.gz PWDJMYNKTKHGIC-KHYOSLBOSA-N 1 1 392.341 3.394 20 30 GGEDMO N#Cc1cc(Br)ccc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000553885923 567695521 /nfs/dbraw/zinc/69/55/21/567695521.db2.gz JCYYEGXSQSYEPB-UHFFFAOYSA-N 1 1 386.293 3.344 20 30 GGEDMO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)[NH+](C)C)cc1 ZINC000443039349 567726158 /nfs/dbraw/zinc/72/61/58/567726158.db2.gz SDOJAEFXJGWYFP-QGZVFWFLSA-N 1 1 377.897 3.101 20 30 GGEDMO COc1cc(C[N@@H+](CCO)Cc2cccc(Br)c2)ccc1C#N ZINC000443060275 567727863 /nfs/dbraw/zinc/72/78/63/567727863.db2.gz FRKCGZVFZXEGDI-UHFFFAOYSA-N 1 1 375.266 3.324 20 30 GGEDMO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@@H+](C)Cc1ccccc1 ZINC000443075600 567729221 /nfs/dbraw/zinc/72/92/21/567729221.db2.gz BKCLNYVZDGISDA-AWEZNQCLSA-N 1 1 377.897 3.010 20 30 GGEDMO C[N@@H+](CCCNS(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC000443098267 567731555 /nfs/dbraw/zinc/73/15/55/567731555.db2.gz XJTIBVPQSXFFKE-UHFFFAOYSA-N 1 1 377.897 3.012 20 30 GGEDMO C=CCNc1ncc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)s1 ZINC000532741606 567732045 /nfs/dbraw/zinc/73/20/45/567732045.db2.gz UWCASNXPQJWONX-UHFFFAOYSA-N 1 1 377.539 3.248 20 30 GGEDMO Cc1nc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c(Cl)cc1C#N ZINC000461771036 567747382 /nfs/dbraw/zinc/74/73/82/567747382.db2.gz YOPOMNQCXZDUQG-UHFFFAOYSA-N 1 1 376.810 3.006 20 30 GGEDMO Cc1cc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000554917652 567756203 /nfs/dbraw/zinc/75/62/03/567756203.db2.gz GORUSALQJAOOGR-GOSISDBHSA-N 1 1 377.897 3.101 20 30 GGEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000574170331 567760980 /nfs/dbraw/zinc/76/09/80/567760980.db2.gz NBMPPDOCTWADMY-LBPRGKRZSA-N 1 1 382.277 3.149 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000598510279 567772718 /nfs/dbraw/zinc/77/27/18/567772718.db2.gz KYTLPRCLPSLQHZ-QGZVFWFLSA-N 1 1 384.277 3.325 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598510279 567772724 /nfs/dbraw/zinc/77/27/24/567772724.db2.gz KYTLPRCLPSLQHZ-QGZVFWFLSA-N 1 1 384.277 3.325 20 30 GGEDMO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000598588288 567777679 /nfs/dbraw/zinc/77/76/79/567777679.db2.gz HQQXRUPGZRXAIG-AWEZNQCLSA-N 1 1 384.307 3.052 20 30 GGEDMO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000598586439 567778009 /nfs/dbraw/zinc/77/80/09/567778009.db2.gz VCCQRBPBTFOXGO-ZDUSSCGKSA-N 1 1 384.307 3.052 20 30 GGEDMO Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1C#N ZINC000443964667 567782688 /nfs/dbraw/zinc/78/26/88/567782688.db2.gz NEHRAELOIYLPCM-QGZVFWFLSA-N 1 1 375.519 3.044 20 30 GGEDMO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000025046289 570694724 /nfs/dbraw/zinc/69/47/24/570694724.db2.gz QEGYKEDBAJWVRP-JOCHJYFZSA-N 1 1 375.472 3.048 20 30 GGEDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1)cc2=O ZINC000103427201 570884971 /nfs/dbraw/zinc/88/49/71/570884971.db2.gz NTBMFRPSKBZROU-AWEZNQCLSA-N 1 1 393.447 3.066 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000052800934 570908326 /nfs/dbraw/zinc/90/83/26/570908326.db2.gz ZIPASMHGIIYIMG-UHFFFAOYSA-N 1 1 382.895 3.040 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000052800934 570908328 /nfs/dbraw/zinc/90/83/28/570908328.db2.gz ZIPASMHGIIYIMG-UHFFFAOYSA-N 1 1 382.895 3.040 20 30 GGEDMO CC(C)N1C(=O)N[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000328970689 570993626 /nfs/dbraw/zinc/99/36/26/570993626.db2.gz OQFDEDRKGXQDJZ-SJORKVTESA-N 1 1 389.887 3.271 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000828455693 601299117 /nfs/dbraw/zinc/29/91/17/601299117.db2.gz FFNLIDRWZWKEGJ-JKSBSHDWSA-N 1 1 393.487 3.083 20 30 GGEDMO COCC[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157570 607519781 /nfs/dbraw/zinc/51/97/81/607519781.db2.gz AZYSEKBMVAWGKI-UHFFFAOYSA-N 1 1 381.867 3.020 20 30 GGEDMO COCC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157570 607519782 /nfs/dbraw/zinc/51/97/82/607519782.db2.gz AZYSEKBMVAWGKI-UHFFFAOYSA-N 1 1 381.867 3.020 20 30 GGEDMO C[C@@H](CCN(C)Cc1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000820242468 606098833 /nfs/dbraw/zinc/09/88/33/606098833.db2.gz NGHICIDYQRKEOH-KRWDZBQOSA-N 1 1 389.507 3.081 20 30 GGEDMO C[C@@H](CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000820242468 606098837 /nfs/dbraw/zinc/09/88/37/606098837.db2.gz NGHICIDYQRKEOH-KRWDZBQOSA-N 1 1 389.507 3.081 20 30 GGEDMO C[C@@H](CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)N(C)Cc1ccc(C#N)cc1 ZINC000820242468 606098838 /nfs/dbraw/zinc/09/88/38/606098838.db2.gz NGHICIDYQRKEOH-KRWDZBQOSA-N 1 1 389.507 3.081 20 30 GGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000822801370 606906666 /nfs/dbraw/zinc/90/66/66/606906666.db2.gz HXUSEBGHTOCSOK-LEWJYISDSA-N 1 1 388.475 3.407 20 30 GGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000822801370 606906669 /nfs/dbraw/zinc/90/66/69/606906669.db2.gz HXUSEBGHTOCSOK-LEWJYISDSA-N 1 1 388.475 3.407 20 30 GGEDMO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000824352742 608054017 /nfs/dbraw/zinc/05/40/17/608054017.db2.gz LFNRFPODJXBZEW-UHFFFAOYSA-N 1 1 394.483 3.431 20 30 GGEDMO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000824352742 608054018 /nfs/dbraw/zinc/05/40/18/608054018.db2.gz LFNRFPODJXBZEW-UHFFFAOYSA-N 1 1 394.483 3.431 20 30 GGEDMO C=CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2)C1CC1 ZINC000823903582 608267290 /nfs/dbraw/zinc/26/72/90/608267290.db2.gz DOYYTAKMJADBJR-UHFFFAOYSA-N 1 1 386.525 3.176 20 30 GGEDMO C[C@@H]1CC(N=Nc2cc(-c3nn[nH]n3)cc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000824860395 608537049 /nfs/dbraw/zinc/53/70/49/608537049.db2.gz UJRUCNKQAQHBQX-CYBMUJFWSA-N 1 1 396.886 3.368 20 30 GGEDMO CC[N@@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C[C@H](C)C#N ZINC000825435331 608598768 /nfs/dbraw/zinc/59/87/68/608598768.db2.gz UMOYPOAEQITFTN-MRXNPFEDSA-N 1 1 376.464 3.427 20 30 GGEDMO CC[N@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C[C@H](C)C#N ZINC000825435331 608598770 /nfs/dbraw/zinc/59/87/70/608598770.db2.gz UMOYPOAEQITFTN-MRXNPFEDSA-N 1 1 376.464 3.427 20 30 GGEDMO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)N[C@@](C)(C#N)C4CC4)CC3)c2c1 ZINC000053073043 1406280698 /nfs/dbraw/zinc/28/06/98/1406280698.db2.gz HRMBSIVDARIDJZ-QFIPXVFZSA-N 1 1 378.476 3.074 20 30 GGEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)N[C@@](C)(C#N)C4CC4)CC3)c2c1 ZINC000053073043 1406280719 /nfs/dbraw/zinc/28/07/19/1406280719.db2.gz HRMBSIVDARIDJZ-QFIPXVFZSA-N 1 1 378.476 3.074 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000053232049 1406336367 /nfs/dbraw/zinc/33/63/67/1406336367.db2.gz PJNCFNITAGKSEK-UNMCSNQZSA-N 1 1 384.451 3.118 20 30 GGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053270086 1406349180 /nfs/dbraw/zinc/34/91/80/1406349180.db2.gz FDJXIIFYSOWUTI-HXUWFJFHSA-N 1 1 383.517 3.198 20 30 GGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053270086 1406349187 /nfs/dbraw/zinc/34/91/87/1406349187.db2.gz FDJXIIFYSOWUTI-HXUWFJFHSA-N 1 1 383.517 3.198 20 30 GGEDMO C=CCOc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000053666806 1406472167 /nfs/dbraw/zinc/47/21/67/1406472167.db2.gz OLLOICIAFLFBRE-UHFFFAOYSA-N 1 1 380.488 3.261 20 30 GGEDMO COc1ccc(N2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000053773138 1406506303 /nfs/dbraw/zinc/50/63/03/1406506303.db2.gz CYRWZNMUWBMSAU-UHFFFAOYSA-N 1 1 384.505 3.169 20 30 GGEDMO COc1ccc(N2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000053774249 1406508527 /nfs/dbraw/zinc/50/85/27/1406508527.db2.gz XCZMXSDXFPMCEL-UHFFFAOYSA-N 1 1 378.476 3.108 20 30 GGEDMO C[C@H](CCc1ccco1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053978801 1406576235 /nfs/dbraw/zinc/57/62/35/1406576235.db2.gz VEDXWNCMZUZPFC-GOSISDBHSA-N 1 1 380.492 3.390 20 30 GGEDMO C[C@@H]1CCC[C@@H](NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000054454775 1406741543 /nfs/dbraw/zinc/74/15/43/1406741543.db2.gz FKLRXYLPTLPOHB-WOIUINJBSA-N 1 1 382.552 3.007 20 30 GGEDMO COc1cc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000054781937 1406823879 /nfs/dbraw/zinc/82/38/79/1406823879.db2.gz DCELDUNFOCZKJG-UHFFFAOYSA-N 1 1 392.503 3.293 20 30 GGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000054805803 1406829546 /nfs/dbraw/zinc/82/95/46/1406829546.db2.gz ITOYHGIVDNSPPT-LJQANCHMSA-N 1 1 397.567 3.290 20 30 GGEDMO COc1ccccc1OCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055309739 1406925961 /nfs/dbraw/zinc/92/59/61/1406925961.db2.gz DVSHKRPORIORTH-UHFFFAOYSA-N 1 1 393.487 3.070 20 30 GGEDMO Cc1cccc(OCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000055309654 1406926152 /nfs/dbraw/zinc/92/61/52/1406926152.db2.gz VACVUJVIPSJWHU-UHFFFAOYSA-N 1 1 377.488 3.370 20 30 GGEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000010707731 1398913318 /nfs/dbraw/zinc/91/33/18/1398913318.db2.gz BXFDDDLMVOMBHO-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000010707731 1398913320 /nfs/dbraw/zinc/91/33/20/1398913320.db2.gz BXFDDDLMVOMBHO-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO N#Cc1ccc(OCC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000010975581 1398938226 /nfs/dbraw/zinc/93/82/26/1398938226.db2.gz YCCRTFTWJDHRSX-UHFFFAOYSA-N 1 1 383.879 3.325 20 30 GGEDMO N#Cc1ccc(OCC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000010975581 1398938238 /nfs/dbraw/zinc/93/82/38/1398938238.db2.gz YCCRTFTWJDHRSX-UHFFFAOYSA-N 1 1 383.879 3.325 20 30 GGEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000017305775 1399278625 /nfs/dbraw/zinc/27/86/25/1399278625.db2.gz XVRNRJMLTKYLAM-AWEZNQCLSA-N 1 1 394.866 3.424 20 30 GGEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000017305775 1399278633 /nfs/dbraw/zinc/27/86/33/1399278633.db2.gz XVRNRJMLTKYLAM-AWEZNQCLSA-N 1 1 394.866 3.424 20 30 GGEDMO COc1cccc(NC(=S)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000017517658 1399283931 /nfs/dbraw/zinc/28/39/31/1399283931.db2.gz INPPFXSUYGOPLZ-UHFFFAOYSA-N 1 1 380.517 3.472 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406094 1399378133 /nfs/dbraw/zinc/37/81/33/1399378133.db2.gz UTSLMPNMCWMVOU-QGZVFWFLSA-N 1 1 380.467 3.232 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021405158 1399378276 /nfs/dbraw/zinc/37/82/76/1399378276.db2.gz KYLXMVMFXSBARF-UHFFFAOYSA-N 1 1 393.516 3.028 20 30 GGEDMO N#Cc1ccsc1NC(=O)CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021405158 1399378283 /nfs/dbraw/zinc/37/82/83/1399378283.db2.gz KYLXMVMFXSBARF-UHFFFAOYSA-N 1 1 393.516 3.028 20 30 GGEDMO N#Cc1ccsc1NC(=O)CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021405158 1399378289 /nfs/dbraw/zinc/37/82/89/1399378289.db2.gz KYLXMVMFXSBARF-UHFFFAOYSA-N 1 1 393.516 3.028 20 30 GGEDMO COc1ccc(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000021406090 1399378307 /nfs/dbraw/zinc/37/83/07/1399378307.db2.gz LEHAOXYUMIIPCV-SFHVURJKSA-N 1 1 392.503 3.102 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021405865 1399378566 /nfs/dbraw/zinc/37/85/66/1399378566.db2.gz BMKUPUKXJPZFHJ-INIZCTEOSA-N 1 1 397.910 3.142 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406229 1399379039 /nfs/dbraw/zinc/37/90/39/1399379039.db2.gz QPXHIDMKGUMZBP-MRXNPFEDSA-N 1 1 398.457 3.371 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406185 1399379236 /nfs/dbraw/zinc/37/92/36/1399379236.db2.gz CULJUMFZHZKXJI-MRXNPFEDSA-N 1 1 398.457 3.371 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000022014864 1399431473 /nfs/dbraw/zinc/43/14/73/1399431473.db2.gz FWJXPZHIKGFAGD-INIZCTEOSA-N 1 1 382.489 3.299 20 30 GGEDMO C=CCn1c(C)nn(CN2CC[NH+](Cc3cc(C)ccc3OC)CC2)c1=S ZINC000022776957 1399501042 /nfs/dbraw/zinc/50/10/42/1399501042.db2.gz UBXXTLCGMLQVEG-UHFFFAOYSA-N 1 1 387.553 3.001 20 30 GGEDMO Cc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000022818440 1399507976 /nfs/dbraw/zinc/50/79/76/1399507976.db2.gz OKYGXMXVKHAHJW-UHFFFAOYSA-N 1 1 394.544 3.367 20 30 GGEDMO N#Cc1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022844748 1399510167 /nfs/dbraw/zinc/51/01/67/1399510167.db2.gz GTLQHVSLPNEIEB-UHFFFAOYSA-N 1 1 382.895 3.358 20 30 GGEDMO N#Cc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000022844748 1399510176 /nfs/dbraw/zinc/51/01/76/1399510176.db2.gz GTLQHVSLPNEIEB-UHFFFAOYSA-N 1 1 382.895 3.358 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccccc3Cl)CC2)cc1 ZINC000023450960 1399562021 /nfs/dbraw/zinc/56/20/21/1399562021.db2.gz LVCSSYJVYKCUHG-UHFFFAOYSA-N 1 1 383.879 3.325 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccccc3Cl)CC2)cc1 ZINC000023450960 1399562026 /nfs/dbraw/zinc/56/20/26/1399562026.db2.gz LVCSSYJVYKCUHG-UHFFFAOYSA-N 1 1 383.879 3.325 20 30 GGEDMO Cc1cccc(O[C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023450817 1399562067 /nfs/dbraw/zinc/56/20/67/1399562067.db2.gz ZIRHKRCVSURMGR-LJQANCHMSA-N 1 1 377.488 3.369 20 30 GGEDMO Cc1cccc(O[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023450817 1399562074 /nfs/dbraw/zinc/56/20/74/1399562074.db2.gz ZIRHKRCVSURMGR-LJQANCHMSA-N 1 1 377.488 3.369 20 30 GGEDMO Cc1cccc(O[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023450820 1399562129 /nfs/dbraw/zinc/56/21/29/1399562129.db2.gz ZIRHKRCVSURMGR-IBGZPJMESA-N 1 1 377.488 3.369 20 30 GGEDMO Cc1cccc(O[C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023450820 1399562131 /nfs/dbraw/zinc/56/21/31/1399562131.db2.gz ZIRHKRCVSURMGR-IBGZPJMESA-N 1 1 377.488 3.369 20 30 GGEDMO COc1cc(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000023451372 1399562299 /nfs/dbraw/zinc/56/22/99/1399562299.db2.gz BOPZQGMJUHGWRA-UHFFFAOYSA-N 1 1 377.488 3.152 20 30 GGEDMO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(C#N)cc2)c2cccs2)CC1 ZINC000023994509 1399594483 /nfs/dbraw/zinc/59/44/83/1399594483.db2.gz JUMSJSQRBIURBD-GOSISDBHSA-N 1 1 389.546 3.371 20 30 GGEDMO CCOc1cc2c(cc1OCC)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2 ZINC000024101701 1399603626 /nfs/dbraw/zinc/60/36/26/1399603626.db2.gz VKQAUNNJIDRIRJ-FQEVSTJZSA-N 1 1 396.487 3.154 20 30 GGEDMO CCOc1cc2c(cc1OCC)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2 ZINC000024101701 1399603630 /nfs/dbraw/zinc/60/36/30/1399603630.db2.gz VKQAUNNJIDRIRJ-FQEVSTJZSA-N 1 1 396.487 3.154 20 30 GGEDMO Cc1nc(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000024834452 1399677933 /nfs/dbraw/zinc/67/79/33/1399677933.db2.gz DJBQZEYMOVENEX-LJQANCHMSA-N 1 1 394.544 3.361 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000025234416 1399777257 /nfs/dbraw/zinc/77/72/57/1399777257.db2.gz PGLJNGNQTYHVCR-PGRDOPGGSA-N 1 1 392.503 3.429 20 30 GGEDMO Cc1ccc(OC[C@H](O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000025303990 1399793931 /nfs/dbraw/zinc/79/39/31/1399793931.db2.gz GCIIGLIYGCTKBJ-HSZRJFAPSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1ccc(OC[C@H](O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000025303990 1399793941 /nfs/dbraw/zinc/79/39/41/1399793941.db2.gz GCIIGLIYGCTKBJ-HSZRJFAPSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1ccc(OC[C@H](O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000025303990 1399793959 /nfs/dbraw/zinc/79/39/59/1399793959.db2.gz GCIIGLIYGCTKBJ-HSZRJFAPSA-N 1 1 393.531 3.123 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025421449 1399807495 /nfs/dbraw/zinc/80/74/95/1399807495.db2.gz VJZOVKBRRFTWLF-LJQANCHMSA-N 1 1 394.494 3.279 20 30 GGEDMO C=CCOc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000025637984 1399824903 /nfs/dbraw/zinc/82/49/03/1399824903.db2.gz ORTGNDMYRDEYSC-QGZVFWFLSA-N 1 1 380.488 3.437 20 30 GGEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000025698759 1399830838 /nfs/dbraw/zinc/83/08/38/1399830838.db2.gz KVCVZQOVJUQKSA-RBBKRZOGSA-N 1 1 399.922 3.100 20 30 GGEDMO COc1ccc(C[N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000026167717 1399865822 /nfs/dbraw/zinc/86/58/22/1399865822.db2.gz MMWQAQSKJQVRHW-UHFFFAOYSA-N 1 1 390.405 3.314 20 30 GGEDMO COc1ccc(C[N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000026167717 1399865825 /nfs/dbraw/zinc/86/58/25/1399865825.db2.gz MMWQAQSKJQVRHW-UHFFFAOYSA-N 1 1 390.405 3.314 20 30 GGEDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026175093 1399866701 /nfs/dbraw/zinc/86/67/01/1399866701.db2.gz MQSZSOZBZXYORE-FQEVSTJZSA-N 1 1 383.517 3.129 20 30 GGEDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026175097 1399866778 /nfs/dbraw/zinc/86/67/78/1399866778.db2.gz MQSZSOZBZXYORE-HXUWFJFHSA-N 1 1 383.517 3.129 20 30 GGEDMO COC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000026321430 1399877962 /nfs/dbraw/zinc/87/79/62/1399877962.db2.gz SIYOJAIJDATJDZ-UHFFFAOYSA-N 1 1 385.851 3.459 20 30 GGEDMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000026330647 1399879162 /nfs/dbraw/zinc/87/91/62/1399879162.db2.gz HLBXGXRNUYTUKD-HXUWFJFHSA-N 1 1 393.487 3.371 20 30 GGEDMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000026330647 1399879166 /nfs/dbraw/zinc/87/91/66/1399879166.db2.gz HLBXGXRNUYTUKD-HXUWFJFHSA-N 1 1 393.487 3.371 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1[N+](=O)[O-] ZINC000026349449 1399880984 /nfs/dbraw/zinc/88/09/84/1399880984.db2.gz GEZXZUDJXPFIGD-UHFFFAOYSA-N 1 1 384.461 3.477 20 30 GGEDMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1OC(F)F ZINC000026453358 1399891839 /nfs/dbraw/zinc/89/18/39/1399891839.db2.gz YKULSWIPXLLSNJ-MRXNPFEDSA-N 1 1 392.402 3.040 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4ccco4)on3)CC2)cc1 ZINC000026637003 1399912052 /nfs/dbraw/zinc/91/20/52/1399912052.db2.gz IKJSUBJVFBFKSF-UHFFFAOYSA-N 1 1 376.416 3.154 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4ccco4)on3)CC2)cc1 ZINC000026637003 1399912058 /nfs/dbraw/zinc/91/20/58/1399912058.db2.gz IKJSUBJVFBFKSF-UHFFFAOYSA-N 1 1 376.416 3.154 20 30 GGEDMO Cc1cccc(OCC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000026949692 1399955920 /nfs/dbraw/zinc/95/59/20/1399955920.db2.gz OZRJYAAAMMGZJF-UHFFFAOYSA-N 1 1 378.432 3.316 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000027125194 1399987673 /nfs/dbraw/zinc/98/76/73/1399987673.db2.gz GUKHFQCQOWIMTI-UHFFFAOYSA-N 1 1 382.508 3.001 20 30 GGEDMO C=CC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000027776871 1400091566 /nfs/dbraw/zinc/09/15/66/1400091566.db2.gz LVYDHUDWSPRBSB-UHFFFAOYSA-N 1 1 395.459 3.184 20 30 GGEDMO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000027776871 1400091579 /nfs/dbraw/zinc/09/15/79/1400091579.db2.gz LVYDHUDWSPRBSB-UHFFFAOYSA-N 1 1 395.459 3.184 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000028154954 1400135079 /nfs/dbraw/zinc/13/50/79/1400135079.db2.gz SORFHDLBODHGIA-OAQYLSRUSA-N 1 1 399.922 3.159 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000028154954 1400135088 /nfs/dbraw/zinc/13/50/88/1400135088.db2.gz SORFHDLBODHGIA-OAQYLSRUSA-N 1 1 399.922 3.159 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000028154954 1400135095 /nfs/dbraw/zinc/13/50/95/1400135095.db2.gz SORFHDLBODHGIA-OAQYLSRUSA-N 1 1 399.922 3.159 20 30 GGEDMO COCc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000028420220 1400163980 /nfs/dbraw/zinc/16/39/80/1400163980.db2.gz VJYULKVLTZOCFN-UHFFFAOYSA-N 1 1 392.503 3.122 20 30 GGEDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000028927780 1400212516 /nfs/dbraw/zinc/21/25/16/1400212516.db2.gz QFYRXLBCEAUUKL-MRXNPFEDSA-N 1 1 391.899 3.170 20 30 GGEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000028927780 1400212522 /nfs/dbraw/zinc/21/25/22/1400212522.db2.gz QFYRXLBCEAUUKL-MRXNPFEDSA-N 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MJSFVKQYVRUGAP-HOTGVXAUSA-N 1 1 379.460 3.027 20 30 GGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046528989 1404464230 /nfs/dbraw/zinc/46/42/30/1404464230.db2.gz QDEPLWZBOBFNKC-UHFFFAOYSA-N 1 1 376.460 3.336 20 30 GGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046528989 1404464234 /nfs/dbraw/zinc/46/42/34/1404464234.db2.gz QDEPLWZBOBFNKC-UHFFFAOYSA-N 1 1 376.460 3.336 20 30 GGEDMO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000046530170 1404465524 /nfs/dbraw/zinc/46/55/24/1404465524.db2.gz QNSXIMYZUPUZLD-HOTGVXAUSA-N 1 1 379.460 3.027 20 30 GGEDMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000046530170 1404465532 /nfs/dbraw/zinc/46/55/32/1404465532.db2.gz QNSXIMYZUPUZLD-HOTGVXAUSA-N 1 1 379.460 3.027 20 30 GGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COc3ccccc3C#N)cc2)C1 ZINC000046596464 1404497884 /nfs/dbraw/zinc/49/78/84/1404497884.db2.gz VSEJTFMBFPAAEN-SFHVURJKSA-N 1 1 377.488 3.485 20 30 GGEDMO CCOc1ccc(C#N)cc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000056728924 1407410264 /nfs/dbraw/zinc/41/02/64/1407410264.db2.gz DEHKMVFFJYFGKB-UHFFFAOYSA-N 1 1 394.475 3.111 20 30 GGEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COc2ccccc2C#N)C1 ZINC000046714340 1404562242 /nfs/dbraw/zinc/56/22/42/1404562242.db2.gz BXMNMOXXPYXCHI-SFHVURJKSA-N 1 1 377.488 3.485 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000046751159 1404576874 /nfs/dbraw/zinc/57/68/74/1404576874.db2.gz MOELMNFHXZVTCM-FQEVSTJZSA-N 1 1 397.567 3.435 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000046751409 1404576998 /nfs/dbraw/zinc/57/69/98/1404576998.db2.gz SCDDCJRITYXMQS-FQEVSTJZSA-N 1 1 397.567 3.040 20 30 GGEDMO C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046831545 1404606610 /nfs/dbraw/zinc/60/66/10/1404606610.db2.gz OZTHNBNNWIWIQK-UGKGYDQZSA-N 1 1 398.551 3.371 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000047128631 1404715460 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HDWGKHLITDHIEM-IAGOWNOFSA-N 1 1 378.476 3.489 20 30 GGEDMO Cc1ccccc1C[N@H+]1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000048059468 1405037376 /nfs/dbraw/zinc/03/73/76/1405037376.db2.gz PULZHXQONAXZPV-UHFFFAOYSA-N 1 1 390.531 3.450 20 30 GGEDMO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)n1cnc2ccccc21 ZINC000048121953 1405063868 /nfs/dbraw/zinc/06/38/68/1405063868.db2.gz NRSTXOCZGQZEKQ-GOSISDBHSA-N 1 1 387.487 3.203 20 30 GGEDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)n1cnc2ccccc21 ZINC000048121953 1405063879 /nfs/dbraw/zinc/06/38/79/1405063879.db2.gz NRSTXOCZGQZEKQ-GOSISDBHSA-N 1 1 387.487 3.203 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1 ZINC000048149501 1405075780 /nfs/dbraw/zinc/07/57/80/1405075780.db2.gz XZUBUEXVPYEOPY-LJQANCHMSA-N 1 1 396.491 3.035 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000048160253 1405079756 /nfs/dbraw/zinc/07/97/56/1405079756.db2.gz INWYIQABVSAXNB-UHFFFAOYSA-N 1 1 392.503 3.172 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048160713 1405080441 /nfs/dbraw/zinc/08/04/41/1405080441.db2.gz HDFRVMLOXGIDBN-HDICACEKSA-N 1 1 386.540 3.482 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)NCC#Cc2ccccc2)C[C@H](C)O1 ZINC000048416067 1405183610 /nfs/dbraw/zinc/18/36/10/1405183610.db2.gz HDQQWSYGACOERC-BGYRXZFFSA-N 1 1 391.515 3.147 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)NCC#Cc2ccccc2)C[C@H](C)O1 ZINC000048416067 1405183626 /nfs/dbraw/zinc/18/36/26/1405183626.db2.gz HDQQWSYGACOERC-BGYRXZFFSA-N 1 1 391.515 3.147 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)NCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000048978699 1405330232 /nfs/dbraw/zinc/33/02/32/1405330232.db2.gz YZYCFFRBLZAMAY-HDICACEKSA-N 1 1 392.503 3.167 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)NCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000048978699 1405330245 /nfs/dbraw/zinc/33/02/45/1405330245.db2.gz YZYCFFRBLZAMAY-HDICACEKSA-N 1 1 392.503 3.167 20 30 GGEDMO C=CCc1ccc(OCC(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)c(OC)c1 ZINC000049951500 1405435392 /nfs/dbraw/zinc/43/53/92/1405435392.db2.gz HUNXQJVYIIOLHI-UHFFFAOYSA-N 1 1 387.505 3.276 20 30 GGEDMO C=CCc1ccc(OCC(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)c(OC)c1 ZINC000049951500 1405435399 /nfs/dbraw/zinc/43/53/99/1405435399.db2.gz HUNXQJVYIIOLHI-UHFFFAOYSA-N 1 1 387.505 3.276 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000050076378 1405472414 /nfs/dbraw/zinc/47/24/14/1405472414.db2.gz UBTRWRSJCBPNTQ-INIZCTEOSA-N 1 1 386.525 3.343 20 30 GGEDMO CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000051058929 1405715881 /nfs/dbraw/zinc/71/58/81/1405715881.db2.gz AAAXUPIEVNJQKV-PMACEKPBSA-N 1 1 398.551 3.259 20 30 GGEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000051059887 1405716824 /nfs/dbraw/zinc/71/68/24/1405716824.db2.gz QCRYROIABKYNSZ-HXUWFJFHSA-N 1 1 398.551 3.178 20 30 GGEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132794 1405728462 /nfs/dbraw/zinc/72/84/62/1405728462.db2.gz FMHKNBVBVDTTQP-FUPPJEDESA-N 1 1 380.488 3.398 20 30 GGEDMO C=CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)Cc1ccccc1 ZINC000051400834 1405804742 /nfs/dbraw/zinc/80/47/42/1405804742.db2.gz NFELQSBNSFVQFG-HXUWFJFHSA-N 1 1 397.563 3.172 20 30 GGEDMO C=CC[N@H+](CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)Cc1ccccc1 ZINC000051400834 1405804745 /nfs/dbraw/zinc/80/47/45/1405804745.db2.gz NFELQSBNSFVQFG-HXUWFJFHSA-N 1 1 397.563 3.172 20 30 GGEDMO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409063 1406044339 /nfs/dbraw/zinc/04/43/39/1406044339.db2.gz SCZXLGITMSZJBU-KNQAVFIVSA-N 1 1 382.552 3.103 20 30 GGEDMO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409063 1406044363 /nfs/dbraw/zinc/04/43/63/1406044363.db2.gz SCZXLGITMSZJBU-KNQAVFIVSA-N 1 1 382.552 3.103 20 30 GGEDMO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409063 1406044379 /nfs/dbraw/zinc/04/43/79/1406044379.db2.gz SCZXLGITMSZJBU-KNQAVFIVSA-N 1 1 382.552 3.103 20 30 GGEDMO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000052580738 1406087236 /nfs/dbraw/zinc/08/72/36/1406087236.db2.gz NWVYKMDWVIZWKA-NRFANRHFSA-N 1 1 393.487 3.371 20 30 GGEDMO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000052580738 1406087248 /nfs/dbraw/zinc/08/72/48/1406087248.db2.gz NWVYKMDWVIZWKA-NRFANRHFSA-N 1 1 393.487 3.371 20 30 GGEDMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000052580737 1406087871 /nfs/dbraw/zinc/08/78/71/1406087871.db2.gz NWVYKMDWVIZWKA-OAQYLSRUSA-N 1 1 393.487 3.371 20 30 GGEDMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000052580737 1406087882 /nfs/dbraw/zinc/08/78/82/1406087882.db2.gz NWVYKMDWVIZWKA-OAQYLSRUSA-N 1 1 393.487 3.371 20 30 GGEDMO CCOc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000052580342 1406087911 /nfs/dbraw/zinc/08/79/11/1406087911.db2.gz CJSXPUACJJDVLK-INIZCTEOSA-N 1 1 381.476 3.275 20 30 GGEDMO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000052580342 1406087925 /nfs/dbraw/zinc/08/79/25/1406087925.db2.gz CJSXPUACJJDVLK-INIZCTEOSA-N 1 1 381.476 3.275 20 30 GGEDMO C[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000052580916 1406088921 /nfs/dbraw/zinc/08/89/21/1406088921.db2.gz OGHVUWPYNVTMPR-UHFFFAOYSA-N 1 1 391.393 3.248 20 30 GGEDMO C[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000052580916 1406088932 /nfs/dbraw/zinc/08/89/32/1406088932.db2.gz OGHVUWPYNVTMPR-UHFFFAOYSA-N 1 1 391.393 3.248 20 30 GGEDMO C[C@H](Cc1ccsc1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052582961 1406089016 /nfs/dbraw/zinc/08/90/16/1406089016.db2.gz OHBCLKIYPNTQII-QGZVFWFLSA-N 1 1 382.533 3.468 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801207 1406173340 /nfs/dbraw/zinc/17/33/40/1406173340.db2.gz WCKTXRVJSWJNLJ-SFHVURJKSA-N 1 1 392.503 3.415 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801207 1406173351 /nfs/dbraw/zinc/17/33/51/1406173351.db2.gz WCKTXRVJSWJNLJ-SFHVURJKSA-N 1 1 392.503 3.415 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801206 1406174441 /nfs/dbraw/zinc/17/44/41/1406174441.db2.gz WCKTXRVJSWJNLJ-GOSISDBHSA-N 1 1 392.503 3.415 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801206 1406174466 /nfs/dbraw/zinc/17/44/66/1406174466.db2.gz WCKTXRVJSWJNLJ-GOSISDBHSA-N 1 1 392.503 3.415 20 30 GGEDMO CCC[N@H+](CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000052825614 1406185904 /nfs/dbraw/zinc/18/59/04/1406185904.db2.gz XELVBXURLLOXHC-UHFFFAOYSA-N 1 1 392.503 3.176 20 30 GGEDMO CCC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000052825614 1406185923 /nfs/dbraw/zinc/18/59/23/1406185923.db2.gz XELVBXURLLOXHC-UHFFFAOYSA-N 1 1 392.503 3.176 20 30 GGEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052830025 1406191762 /nfs/dbraw/zinc/19/17/62/1406191762.db2.gz WGUTYEDNFRSHQJ-MRXNPFEDSA-N 1 1 384.867 3.336 20 30 GGEDMO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)n1 ZINC000052862776 1406202096 /nfs/dbraw/zinc/20/20/96/1406202096.db2.gz BJGUZWDFOZMWMI-HOCLYGCPSA-N 1 1 385.443 3.032 20 30 GGEDMO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)n1 ZINC000052862776 1406202115 /nfs/dbraw/zinc/20/21/15/1406202115.db2.gz BJGUZWDFOZMWMI-HOCLYGCPSA-N 1 1 385.443 3.032 20 30 GGEDMO Cc1noc([C@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C2)n1 ZINC000052862333 1406203145 /nfs/dbraw/zinc/20/31/45/1406203145.db2.gz HVSYTGIVLMFQFY-SFHVURJKSA-N 1 1 381.480 3.121 20 30 GGEDMO Cc1noc([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C2)n1 ZINC000052862333 1406203164 /nfs/dbraw/zinc/20/31/64/1406203164.db2.gz HVSYTGIVLMFQFY-SFHVURJKSA-N 1 1 381.480 3.121 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C2)n1 ZINC000052862334 1406203570 /nfs/dbraw/zinc/20/35/70/1406203570.db2.gz HVSYTGIVLMFQFY-GOSISDBHSA-N 1 1 381.480 3.121 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C2)n1 ZINC000052862334 1406203581 /nfs/dbraw/zinc/20/35/81/1406203581.db2.gz HVSYTGIVLMFQFY-GOSISDBHSA-N 1 1 381.480 3.121 20 30 GGEDMO CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056762013 1407423594 /nfs/dbraw/zinc/42/35/94/1407423594.db2.gz QMFHXOCUFGXIAE-UHFFFAOYSA-N 1 1 378.476 3.097 20 30 GGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000056863798 1407459113 /nfs/dbraw/zinc/45/91/13/1407459113.db2.gz VHFPFVKOGMUROY-UHFFFAOYSA-N 1 1 379.504 3.451 20 30 GGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000176325045 1428245780 /nfs/dbraw/zinc/24/57/80/1428245780.db2.gz QAPUQLAZZCSLBI-NRFANRHFSA-N 1 1 392.503 3.252 20 30 GGEDMO N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000057171934 1407543726 /nfs/dbraw/zinc/54/37/26/1407543726.db2.gz NALSWLSRFDSPMW-QHCPKHFHSA-N 1 1 388.515 3.262 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000057618221 1407668780 /nfs/dbraw/zinc/66/87/80/1407668780.db2.gz CQXYEAGCBNJUBL-GOSISDBHSA-N 1 1 386.540 3.227 20 30 GGEDMO N#CC1CCN(Cn2nc(C[NH+]3CCCC3)n(Cc3ccccc3)c2=S)CC1 ZINC000057823941 1407729920 /nfs/dbraw/zinc/72/99/20/1407729920.db2.gz DINVLWTYQQHLFB-UHFFFAOYSA-N 1 1 396.564 3.251 20 30 GGEDMO COCc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000058058596 1407777640 /nfs/dbraw/zinc/77/76/40/1407777640.db2.gz YKVQQRZKLKMVPQ-UHFFFAOYSA-N 1 1 378.476 3.444 20 30 GGEDMO CCN1C[C@@H](C[N@@H+](C)CCC(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000058289136 1407807455 /nfs/dbraw/zinc/80/74/55/1407807455.db2.gz BVGLRPOKQYEMPU-MRXNPFEDSA-N 1 1 384.505 3.168 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000058451653 1407830574 /nfs/dbraw/zinc/83/05/74/1407830574.db2.gz CATRPMAHZANDHB-KRWDZBQOSA-N 1 1 378.476 3.409 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000058451653 1407830578 /nfs/dbraw/zinc/83/05/78/1407830578.db2.gz CATRPMAHZANDHB-KRWDZBQOSA-N 1 1 378.476 3.409 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000058490817 1407836308 /nfs/dbraw/zinc/83/63/08/1407836308.db2.gz AMZJQZLGNWOHSG-LJQANCHMSA-N 1 1 377.444 3.495 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCSCc3ccccn3)CC2)cc1 ZINC000058855633 1407889389 /nfs/dbraw/zinc/88/93/89/1407889389.db2.gz MQOYANKNFZZKNB-UHFFFAOYSA-N 1 1 394.544 3.311 20 30 GGEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000058943978 1407902788 /nfs/dbraw/zinc/90/27/88/1407902788.db2.gz MYRXJYMLCVKALC-OAHLLOKOSA-N 1 1 378.432 3.301 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000060089834 1407936971 /nfs/dbraw/zinc/93/69/71/1407936971.db2.gz CZKHWPWETKMGCM-LJQANCHMSA-N 1 1 377.444 3.495 20 30 GGEDMO CCN(CCC#N)Cn1nc([C@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000060159887 1407944580 /nfs/dbraw/zinc/94/45/80/1407944580.db2.gz PLIZOXFFAQOOJR-AWEZNQCLSA-N 1 1 376.505 3.358 20 30 GGEDMO C=CCn1c(=S)n(CN2CC[NH+](CCOc3ccccc3)CC2)nc1C1CC1 ZINC000060462229 1407981981 /nfs/dbraw/zinc/98/19/81/1407981981.db2.gz RHSPIMIZEHVOCW-UHFFFAOYSA-N 1 1 399.564 3.132 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000060562336 1408002985 /nfs/dbraw/zinc/00/29/85/1408002985.db2.gz RBOMWGARBBCQEN-QFIPXVFZSA-N 1 1 383.492 3.358 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000176376000 1428283328 /nfs/dbraw/zinc/28/33/28/1428283328.db2.gz ZMUJMKUTEGJFHK-CQSZACIVSA-N 1 1 391.397 3.000 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000176376000 1428283345 /nfs/dbraw/zinc/28/33/45/1428283345.db2.gz ZMUJMKUTEGJFHK-CQSZACIVSA-N 1 1 391.397 3.000 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1)CC(F)(F)F ZINC000176392663 1428295820 /nfs/dbraw/zinc/29/58/20/1428295820.db2.gz WXBDRUXRXZPVRX-MRXNPFEDSA-N 1 1 385.430 3.152 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000176394031 1428297949 /nfs/dbraw/zinc/29/79/49/1428297949.db2.gz GXIBUPPLBPXTBP-INIZCTEOSA-N 1 1 382.430 3.093 20 30 GGEDMO C=CCN(CCc1ccccc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000062474477 1408262708 /nfs/dbraw/zinc/26/27/08/1408262708.db2.gz UPNBHNQHBACGMG-UHFFFAOYSA-N 1 1 385.552 3.462 20 30 GGEDMO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000062498898 1408269160 /nfs/dbraw/zinc/26/91/60/1408269160.db2.gz KYPCMDHJULELJU-UHFFFAOYSA-N 1 1 377.423 3.060 20 30 GGEDMO N#Cc1c(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cn2ccccc12 ZINC000063301414 1408332624 /nfs/dbraw/zinc/33/26/24/1408332624.db2.gz PKUIAMPCTZJWLJ-UHFFFAOYSA-N 1 1 392.528 3.443 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)CC(F)(F)F ZINC000176414636 1428310484 /nfs/dbraw/zinc/31/04/84/1428310484.db2.gz IWXXGQNUFSXNGX-OAHLLOKOSA-N 1 1 393.413 3.314 20 30 GGEDMO CN1CCC(NC(=S)C(C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)CC1 ZINC000063441623 1408354979 /nfs/dbraw/zinc/35/49/79/1408354979.db2.gz GOEMPIDXDUZELL-UHFFFAOYSA-O 1 1 394.564 3.085 20 30 GGEDMO CC[N@@H+](C[C@H](O)COc1c(OC)cccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000063506793 1408365004 /nfs/dbraw/zinc/36/50/04/1408365004.db2.gz WQVHSKPHNJTNPF-APWZRJJASA-N 1 1 384.476 3.398 20 30 GGEDMO CCCNC(=O)C[N@@H+](CCC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000063525751 1408367871 /nfs/dbraw/zinc/36/78/71/1408367871.db2.gz RUOOUSRWJXEHGN-UHFFFAOYSA-N 1 1 390.553 3.065 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000063626456 1408381472 /nfs/dbraw/zinc/38/14/72/1408381472.db2.gz SBAVZHVHOZGOOM-HZPDHXFCSA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000063626456 1408381481 /nfs/dbraw/zinc/38/14/81/1408381481.db2.gz SBAVZHVHOZGOOM-HZPDHXFCSA-N 1 1 386.496 3.122 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000063644354 1408386720 /nfs/dbraw/zinc/38/67/20/1408386720.db2.gz VACIRVXJTOCDIC-JOCHJYFZSA-N 1 1 377.488 3.198 20 30 GGEDMO CC(C)[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccc(C#N)cc1 ZINC000063750690 1408401545 /nfs/dbraw/zinc/40/15/45/1408401545.db2.gz LGXLPVBBSHKDSQ-UHFFFAOYSA-N 1 1 387.505 3.346 20 30 GGEDMO CC(C)[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccc(C#N)cc1 ZINC000063750690 1408401552 /nfs/dbraw/zinc/40/15/52/1408401552.db2.gz LGXLPVBBSHKDSQ-UHFFFAOYSA-N 1 1 387.505 3.346 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccc(C#N)cc1 ZINC000063750619 1408401935 /nfs/dbraw/zinc/40/19/35/1408401935.db2.gz AVDUSENVZXVSDN-UHFFFAOYSA-N 1 1 396.560 3.175 20 30 GGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064480493 1408564266 /nfs/dbraw/zinc/56/42/66/1408564266.db2.gz XTTQYEFYRMVVDZ-QGZVFWFLSA-N 1 1 389.927 3.077 20 30 GGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064480493 1408564275 /nfs/dbraw/zinc/56/42/75/1408564275.db2.gz XTTQYEFYRMVVDZ-QGZVFWFLSA-N 1 1 389.927 3.077 20 30 GGEDMO N#Cc1cccc(OCC[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000064481402 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1409917463 /nfs/dbraw/zinc/91/74/63/1409917463.db2.gz GPAFTUKOGANBIJ-LJQANCHMSA-N 1 1 380.467 3.375 20 30 GGEDMO C=CCc1cc(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000078928157 1409944634 /nfs/dbraw/zinc/94/46/34/1409944634.db2.gz ZBQJBVKQUVVXFT-KRWDZBQOSA-N 1 1 394.515 3.495 20 30 GGEDMO C=CCc1cc(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000078928157 1409944645 /nfs/dbraw/zinc/94/46/45/1409944645.db2.gz ZBQJBVKQUVVXFT-KRWDZBQOSA-N 1 1 394.515 3.495 20 30 GGEDMO CCC(CC)[C@H](CNC(=O)c1cccc(SCC#N)c1)[NH+]1CCOCC1 ZINC000079526993 1409979200 /nfs/dbraw/zinc/97/92/00/1409979200.db2.gz QDPJMFYLPXGRRK-IBGZPJMESA-N 1 1 375.538 3.169 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000081300870 1410017342 /nfs/dbraw/zinc/01/73/42/1410017342.db2.gz VBAXZOFTFVAWGB-UHFFFAOYSA-N 1 1 376.504 3.303 20 30 GGEDMO CCOC[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000081520081 1410020452 /nfs/dbraw/zinc/02/04/52/1410020452.db2.gz PJYGNOYILYCQQW-HUUCEWRRSA-N 1 1 375.538 3.432 20 30 GGEDMO CN(C(=O)C[NH+]1CCC(OCc2ccccc2F)CC1)C1(C#N)CCCCC1 ZINC000091868831 1410088181 /nfs/dbraw/zinc/08/81/81/1410088181.db2.gz XRDRXIXAYMKGRI-UHFFFAOYSA-N 1 1 387.499 3.492 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092149451 1410112937 /nfs/dbraw/zinc/11/29/37/1410112937.db2.gz XALUZYCLPBZELW-KKXNLOMOSA-N 1 1 399.539 3.207 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4c(c3)COC4)CC2)cc1 ZINC000092163334 1410115131 /nfs/dbraw/zinc/11/51/31/1410115131.db2.gz NNZWPOPECOHBMM-UHFFFAOYSA-N 1 1 376.460 3.328 20 30 GGEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000092236156 1410126224 /nfs/dbraw/zinc/12/62/24/1410126224.db2.gz QBWROMQXABIVEH-XEVCZEQESA-N 1 1 399.539 3.063 20 30 GGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092282724 1410131759 /nfs/dbraw/zinc/13/17/59/1410131759.db2.gz KAGVMHFNXRPGIV-IOJLRTSASA-N 1 1 399.539 3.207 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000092535073 1410168841 /nfs/dbraw/zinc/16/88/41/1410168841.db2.gz YJGWEYRJNYJCCN-GOSISDBHSA-N 1 1 395.478 3.394 20 30 GGEDMO CN(CCC#N)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000092597167 1410178825 /nfs/dbraw/zinc/17/88/25/1410178825.db2.gz JOOPBGGXNHLISE-UHFFFAOYSA-N 1 1 377.467 3.369 20 30 GGEDMO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(OC)c1 ZINC000092704407 1410189899 /nfs/dbraw/zinc/18/98/99/1410189899.db2.gz TXKLVJMUHXEXJW-UHFFFAOYSA-N 1 1 388.471 3.446 20 30 GGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000092704444 1410190326 /nfs/dbraw/zinc/19/03/26/1410190326.db2.gz VMFCJZDGWBRXTR-UHFFFAOYSA-N 1 1 398.514 3.424 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1OCCCC#N ZINC000092706518 1410191354 /nfs/dbraw/zinc/19/13/54/1410191354.db2.gz LKRIFZQNDQDQRS-LJQANCHMSA-N 1 1 387.524 3.362 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1OCCCC#N ZINC000092706517 1410191630 /nfs/dbraw/zinc/19/16/30/1410191630.db2.gz LKRIFZQNDQDQRS-IBGZPJMESA-N 1 1 387.524 3.362 20 30 GGEDMO COc1cc[nH+]c(N2CCN(Cc3ccc(OC)c(OCCCC#N)c3)CC2)c1 ZINC000093079255 1410219971 /nfs/dbraw/zinc/21/99/71/1410219971.db2.gz PGFHEGSVKXWKJO-UHFFFAOYSA-N 1 1 396.491 3.104 20 30 GGEDMO N#CCCn1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c(-c2ccccc2)n1 ZINC000093277478 1410228416 /nfs/dbraw/zinc/22/84/16/1410228416.db2.gz OOSFUZCLQSUHQU-FQEVSTJZSA-N 1 1 377.492 3.051 20 30 GGEDMO N#CCCn1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(-c2ccccc2)n1 ZINC000093277480 1410229035 /nfs/dbraw/zinc/22/90/35/1410229035.db2.gz OOSFUZCLQSUHQU-HXUWFJFHSA-N 1 1 377.492 3.051 20 30 GGEDMO C=C(C)COc1cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1OC ZINC000093534176 1410250759 /nfs/dbraw/zinc/25/07/59/1410250759.db2.gz NFKTZOYBIHSIQT-UHFFFAOYSA-N 1 1 395.503 3.071 20 30 GGEDMO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OCCCC#N ZINC000093647064 1410257636 /nfs/dbraw/zinc/25/76/36/1410257636.db2.gz JXSPZVSPGRPITR-XLIONFOSSA-N 1 1 394.537 3.165 20 30 GGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OCCCC#N ZINC000093647064 1410257643 /nfs/dbraw/zinc/25/76/43/1410257643.db2.gz JXSPZVSPGRPITR-XLIONFOSSA-N 1 1 394.537 3.165 20 30 GGEDMO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OCCCC#N ZINC000093647065 1410258019 /nfs/dbraw/zinc/25/80/19/1410258019.db2.gz JXSPZVSPGRPITR-PXNSSMCTSA-N 1 1 394.537 3.165 20 30 GGEDMO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OCCCC#N ZINC000093647065 1410258022 /nfs/dbraw/zinc/25/80/22/1410258022.db2.gz JXSPZVSPGRPITR-PXNSSMCTSA-N 1 1 394.537 3.165 20 30 GGEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000093665257 1410258442 /nfs/dbraw/zinc/25/84/42/1410258442.db2.gz ZFMWRMYCGVWDGB-OAQYLSRUSA-N 1 1 391.515 3.291 20 30 GGEDMO COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000093872307 1410277587 /nfs/dbraw/zinc/27/75/87/1410277587.db2.gz YVKYDLOADZXAJT-PZJWPPBQSA-N 1 1 380.492 3.335 20 30 GGEDMO COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000093872307 1410277606 /nfs/dbraw/zinc/27/76/06/1410277606.db2.gz YVKYDLOADZXAJT-PZJWPPBQSA-N 1 1 380.492 3.335 20 30 GGEDMO CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872352 1410277744 /nfs/dbraw/zinc/27/77/44/1410277744.db2.gz LPDLEHGHDJWZOP-SFTDATJTSA-N 1 1 377.488 3.425 20 30 GGEDMO CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872352 1410277750 /nfs/dbraw/zinc/27/77/50/1410277750.db2.gz LPDLEHGHDJWZOP-SFTDATJTSA-N 1 1 377.488 3.425 20 30 GGEDMO C=CCOc1ccc(C[N@H+]2CCCN(c3nc(CC)ns3)CC2)cc1OC ZINC000093871563 1410278214 /nfs/dbraw/zinc/27/82/14/1410278214.db2.gz VEIGPPORDKTHRO-UHFFFAOYSA-N 1 1 388.537 3.386 20 30 GGEDMO C=CCOc1ccc(C[N@@H+]2CCCN(c3nc(CC)ns3)CC2)cc1OC ZINC000093871563 1410278225 /nfs/dbraw/zinc/27/82/25/1410278225.db2.gz VEIGPPORDKTHRO-UHFFFAOYSA-N 1 1 388.537 3.386 20 30 GGEDMO Cc1sc(NC(=O)CN2CC[NH+](Cc3cccc(C)c3)CC2)c(C#N)c1C ZINC000096981587 1410342074 /nfs/dbraw/zinc/34/20/74/1410342074.db2.gz JUPUNPPNENLWMK-UHFFFAOYSA-N 1 1 382.533 3.301 20 30 GGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000097057350 1410349122 /nfs/dbraw/zinc/34/91/22/1410349122.db2.gz QHLKMFPEHQDVCJ-PSCUFVCCSA-N 1 1 385.508 3.209 20 30 GGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000097057350 1410349129 /nfs/dbraw/zinc/34/91/29/1410349129.db2.gz QHLKMFPEHQDVCJ-PSCUFVCCSA-N 1 1 385.508 3.209 20 30 GGEDMO CC[N@H+](CC(=O)N(C)c1ccccc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000097153519 1410355625 /nfs/dbraw/zinc/35/56/25/1410355625.db2.gz OMRHZBUHAPOVLF-MRXNPFEDSA-N 1 1 379.460 3.391 20 30 GGEDMO CC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000097153519 1410355630 /nfs/dbraw/zinc/35/56/30/1410355630.db2.gz OMRHZBUHAPOVLF-MRXNPFEDSA-N 1 1 379.460 3.391 20 30 GGEDMO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000097490981 1410371297 /nfs/dbraw/zinc/37/12/97/1410371297.db2.gz PFVODZQYNYYDDF-LJQANCHMSA-N 1 1 388.515 3.438 20 30 GGEDMO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000097490981 1410371304 /nfs/dbraw/zinc/37/13/04/1410371304.db2.gz PFVODZQYNYYDDF-LJQANCHMSA-N 1 1 388.515 3.438 20 30 GGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000098135791 1410432478 /nfs/dbraw/zinc/43/24/78/1410432478.db2.gz HXTDBLCDYQIBEI-QGZVFWFLSA-N 1 1 391.943 3.301 20 30 GGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000098135791 1410432485 /nfs/dbraw/zinc/43/24/85/1410432485.db2.gz HXTDBLCDYQIBEI-QGZVFWFLSA-N 1 1 391.943 3.301 20 30 GGEDMO CCC[N@@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000101535404 1410453044 /nfs/dbraw/zinc/45/30/44/1410453044.db2.gz RHSBEWDWLKCXIJ-QFIPXVFZSA-N 1 1 376.460 3.195 20 30 GGEDMO CCC[N@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000101535404 1410453051 /nfs/dbraw/zinc/45/30/51/1410453051.db2.gz RHSBEWDWLKCXIJ-QFIPXVFZSA-N 1 1 376.460 3.195 20 30 GGEDMO Cc1c(O)ccc2c(C[NH+]3CCN(c4ccccc4C#N)CC3)cc(=O)oc12 ZINC000101554822 1410461665 /nfs/dbraw/zinc/46/16/65/1410461665.db2.gz WHSRGYRPNUQMMZ-UHFFFAOYSA-N 1 1 375.428 3.001 20 30 GGEDMO N#Cc1ccccc1N1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000101554924 1410462109 /nfs/dbraw/zinc/46/21/09/1410462109.db2.gz RTSZLQMAQZNBJR-UHFFFAOYSA-N 1 1 385.467 3.476 20 30 GGEDMO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566690 1410466949 /nfs/dbraw/zinc/46/69/49/1410466949.db2.gz QMGDILIULKTGIT-QHCPKHFHSA-N 1 1 398.551 3.058 20 30 GGEDMO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000101580224 1410472338 /nfs/dbraw/zinc/47/23/38/1410472338.db2.gz CZCTXLFNKVGMOA-KRWDZBQOSA-N 1 1 393.896 3.229 20 30 GGEDMO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000101580221 1410472396 /nfs/dbraw/zinc/47/23/96/1410472396.db2.gz CZCTXLFNKVGMOA-QGZVFWFLSA-N 1 1 393.896 3.229 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1cccc(C#N)c1 ZINC000101784748 1410502246 /nfs/dbraw/zinc/50/22/46/1410502246.db2.gz NAWXFQWJURTNIN-NRFANRHFSA-N 1 1 377.492 3.149 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC000101909787 1410518609 /nfs/dbraw/zinc/51/86/09/1410518609.db2.gz JVQXZYFSOOCHQB-WOJBJXKFSA-N 1 1 398.551 3.114 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101917533 1410522646 /nfs/dbraw/zinc/52/26/46/1410522646.db2.gz JDRJWTZYXDFYSZ-OAHLLOKOSA-N 1 1 394.450 3.375 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101918418 1410524623 /nfs/dbraw/zinc/52/46/23/1410524623.db2.gz AQAZRWIQRJCFSH-HNNXBMFYSA-N 1 1 394.450 3.375 20 30 GGEDMO N#Cc1ccc(OCCC[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000101920540 1410524810 /nfs/dbraw/zinc/52/48/10/1410524810.db2.gz GPILJPMAFBILLY-LJQANCHMSA-N 1 1 382.439 3.362 20 30 GGEDMO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000102101112 1410559585 /nfs/dbraw/zinc/55/95/85/1410559585.db2.gz FLGPFAUKVFZECJ-IBGZPJMESA-N 1 1 397.475 3.045 20 30 GGEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000102340291 1410603756 /nfs/dbraw/zinc/60/37/56/1410603756.db2.gz MBNBLKGWIBZHQV-HNNXBMFYSA-N 1 1 378.432 3.301 20 30 GGEDMO CCC[N@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000102388689 1410617731 /nfs/dbraw/zinc/61/77/31/1410617731.db2.gz RYJILRWIYXAPMS-UHFFFAOYSA-N 1 1 376.460 3.192 20 30 GGEDMO CCC[N@H+](Cc1ccccc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000102388693 1410617915 /nfs/dbraw/zinc/61/79/15/1410617915.db2.gz VURPFUHGIYRNIV-UHFFFAOYSA-N 1 1 376.460 3.192 20 30 GGEDMO Cc1cccc([C@H]2CCC[N@H+]2CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000102390962 1410618835 /nfs/dbraw/zinc/61/88/35/1410618835.db2.gz JDRLVRALJQHOPB-OAQYLSRUSA-N 1 1 388.471 3.426 20 30 GGEDMO CC[N@@H+](Cc1cccc(Cl)c1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000102390413 1410619006 /nfs/dbraw/zinc/61/90/06/1410619006.db2.gz CWSBSFTYDUSUEV-UHFFFAOYSA-N 1 1 396.878 3.455 20 30 GGEDMO CC[N@H+](Cc1cccc(Cl)c1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000102390413 1410619013 /nfs/dbraw/zinc/61/90/13/1410619013.db2.gz CWSBSFTYDUSUEV-UHFFFAOYSA-N 1 1 396.878 3.455 20 30 GGEDMO C[N@@H+](CCCCc1ccccc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000102390592 1410619365 /nfs/dbraw/zinc/61/93/65/1410619365.db2.gz NHYDAGWPSYKJMC-UHFFFAOYSA-N 1 1 390.487 3.235 20 30 GGEDMO N#CCCCC[NH+]1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000102397762 1410622172 /nfs/dbraw/zinc/62/21/72/1410622172.db2.gz KTEBPYLOKGCMHE-UHFFFAOYSA-N 1 1 384.484 3.413 20 30 GGEDMO CCc1nc(CCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000102458942 1410635155 /nfs/dbraw/zinc/63/51/55/1410635155.db2.gz VVCRSLYCZZKQEF-UHFFFAOYSA-N 1 1 397.548 3.037 20 30 GGEDMO COCCC[N@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)c2C1 ZINC000102779302 1410746545 /nfs/dbraw/zinc/74/65/45/1410746545.db2.gz JHQDXXUHSFVSLD-INIZCTEOSA-N 1 1 378.476 3.349 20 30 GGEDMO Cc1cc(N2CCC(NC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)nc(C)[nH+]1 ZINC000176879082 1428509715 /nfs/dbraw/zinc/50/97/15/1428509715.db2.gz NKCLKEDVSCLFKW-UHFFFAOYSA-N 1 1 384.871 3.409 20 30 GGEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H](C)O1 ZINC000102802693 1410767307 /nfs/dbraw/zinc/76/73/07/1410767307.db2.gz BSFAYCLLFYDCOJ-BETUJISGSA-N 1 1 396.438 3.169 20 30 GGEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H](C)O1 ZINC000102802693 1410767315 /nfs/dbraw/zinc/76/73/15/1410767315.db2.gz BSFAYCLLFYDCOJ-BETUJISGSA-N 1 1 396.438 3.169 20 30 GGEDMO CCOc1ccc(C#N)cc1NC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000176887360 1428512693 /nfs/dbraw/zinc/51/26/93/1428512693.db2.gz AIUUMAMISVLYSG-UHFFFAOYSA-N 1 1 394.479 3.154 20 30 GGEDMO C=CCc1cc(OCC)cc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)c1O ZINC000103134102 1410830680 /nfs/dbraw/zinc/83/06/80/1410830680.db2.gz JVTLTOBIOIOPHA-UHFFFAOYSA-N 1 1 385.508 3.442 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000103859471 1410877676 /nfs/dbraw/zinc/87/76/76/1410877676.db2.gz LOVJYAKFYAJFHP-KDURUIRLSA-N 1 1 398.551 3.479 20 30 GGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H](O)COC2CCOCC2)cc1 ZINC000176920969 1428521063 /nfs/dbraw/zinc/52/10/63/1428521063.db2.gz GYPFGZBLOJHYOP-JOCHJYFZSA-N 1 1 398.478 3.256 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000104654279 1410919236 /nfs/dbraw/zinc/91/92/36/1410919236.db2.gz OGKDVVDQHBDYEX-UHFFFAOYSA-N 1 1 377.404 3.317 20 30 GGEDMO C#CC[NH+]1CCN(Cn2cc(-c3ccccc3)n(CC(F)(F)F)c2=S)CC1 ZINC000104652709 1410920426 /nfs/dbraw/zinc/92/04/26/1410920426.db2.gz PHLOFIOSEFZOFF-UHFFFAOYSA-N 1 1 394.466 3.457 20 30 GGEDMO C[C@H](O)C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCCCC1 ZINC000104683876 1410929339 /nfs/dbraw/zinc/92/93/39/1410929339.db2.gz YXOGUKJQAHYOHT-MAUKXSAKSA-N 1 1 378.476 3.239 20 30 GGEDMO Cc1ccc(CN(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C2CC2)o1 ZINC000104712473 1410935880 /nfs/dbraw/zinc/93/58/80/1410935880.db2.gz CVQMJXSBLXVWEL-UHFFFAOYSA-N 1 1 393.487 3.494 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)NCCCOC3CCCCC3)CC2)c1 ZINC000104712392 1410936643 /nfs/dbraw/zinc/93/66/43/1410936643.db2.gz BMSMRZSAMPAVHO-UHFFFAOYSA-N 1 1 399.535 3.257 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)N[C@H]3CCOc4ccccc43)CC2)c1 ZINC000104714172 1410938305 /nfs/dbraw/zinc/93/83/05/1410938305.db2.gz YIVCMWRJLOUBPK-NRFANRHFSA-N 1 1 391.471 3.041 20 30 GGEDMO Cc1ccccc1CN(C)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713823 1410938550 /nfs/dbraw/zinc/93/85/50/1410938550.db2.gz NXOBLJGWKAQWTR-UHFFFAOYSA-N 1 1 377.488 3.369 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713811 1410938662 /nfs/dbraw/zinc/93/86/62/1410938662.db2.gz YYULSLMXYBONDQ-KRWDZBQOSA-N 1 1 380.492 3.133 20 30 GGEDMO COc1ccc(CN(C)C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104963302 1411003921 /nfs/dbraw/zinc/00/39/21/1411003921.db2.gz KLBRBWXZCRJQAS-UHFFFAOYSA-N 1 1 393.487 3.069 20 30 GGEDMO C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963343 1411004887 /nfs/dbraw/zinc/00/48/87/1411004887.db2.gz MAUSMLCMAYVACY-SFHVURJKSA-N 1 1 377.488 3.149 20 30 GGEDMO C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963359 1411005023 /nfs/dbraw/zinc/00/50/23/1411005023.db2.gz PSBXKXNDHYFMAJ-MRXNPFEDSA-N 1 1 383.517 3.210 20 30 GGEDMO COCC[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 ZINC000105018492 1411014754 /nfs/dbraw/zinc/01/47/54/1411014754.db2.gz FPTWGQZFDMIYNU-UHFFFAOYSA-N 1 1 394.475 3.455 20 30 GGEDMO COCC[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000105022528 1411016571 /nfs/dbraw/zinc/01/65/71/1411016571.db2.gz VTMHPQNTRUADDK-UHFFFAOYSA-N 1 1 380.448 3.146 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000105024737 1411017193 /nfs/dbraw/zinc/01/71/93/1411017193.db2.gz GMGKRJJLNVPVGY-UHFFFAOYSA-N 1 1 391.519 3.148 20 30 GGEDMO C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000105126876 1411032545 /nfs/dbraw/zinc/03/25/45/1411032545.db2.gz OKYGSGQDQQLMTD-MSOLQXFVSA-N 1 1 384.524 3.231 20 30 GGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106183493 1411178178 /nfs/dbraw/zinc/17/81/78/1411178178.db2.gz ZTGORGBFKLTAAT-AWEZNQCLSA-N 1 1 383.521 3.044 20 30 GGEDMO CCc1oc(C(=O)OC)cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000176998797 1428547406 /nfs/dbraw/zinc/54/74/06/1428547406.db2.gz MVQFHAQWXGMHRG-UHFFFAOYSA-N 1 1 381.476 3.208 20 30 GGEDMO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000176998797 1428547417 /nfs/dbraw/zinc/54/74/17/1428547417.db2.gz MVQFHAQWXGMHRG-UHFFFAOYSA-N 1 1 381.476 3.208 20 30 GGEDMO CCc1oc(C(=O)OC)cc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000176998797 1428547420 /nfs/dbraw/zinc/54/74/20/1428547420.db2.gz MVQFHAQWXGMHRG-UHFFFAOYSA-N 1 1 381.476 3.208 20 30 GGEDMO C=CCc1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc(OC)c1OC ZINC000106551041 1411243230 /nfs/dbraw/zinc/24/32/30/1411243230.db2.gz BYAUDZDJHOWGPQ-GOSISDBHSA-N 1 1 387.524 3.248 20 30 GGEDMO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)o2)cc1 ZINC000106787737 1411301973 /nfs/dbraw/zinc/30/19/73/1411301973.db2.gz MHDZVZHFKHLKJH-QGZVFWFLSA-N 1 1 379.460 3.477 20 30 GGEDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106865587 1411311775 /nfs/dbraw/zinc/31/17/75/1411311775.db2.gz ZXMZRIGRAGWFTJ-RHSMWYFYSA-N 1 1 375.538 3.453 20 30 GGEDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000106869475 1411313316 /nfs/dbraw/zinc/31/33/16/1411313316.db2.gz OWFHHTKDZHHHCI-OAHLLOKOSA-N 1 1 392.887 3.139 20 30 GGEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000106943288 1411324070 /nfs/dbraw/zinc/32/40/70/1411324070.db2.gz HUEGBGREVKYXSA-KRWDZBQOSA-N 1 1 393.491 3.108 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2C#N)C(C)C)cc1 ZINC000107307586 1411359073 /nfs/dbraw/zinc/35/90/73/1411359073.db2.gz QSEFBXKLKVVYCL-OAQYLSRUSA-N 1 1 381.476 3.167 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(C#N)cc2F)C(C)C)cc1 ZINC000107307556 1411359291 /nfs/dbraw/zinc/35/92/91/1411359291.db2.gz XJNNNNBKPOICJP-HXUWFJFHSA-N 1 1 399.466 3.306 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2cc(C#N)ccc2F)C(C)C)cc1 ZINC000107307614 1411359837 /nfs/dbraw/zinc/35/98/37/1411359837.db2.gz VLXRVDZCNLNNOT-FQEVSTJZSA-N 1 1 399.466 3.306 20 30 GGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000177048655 1428567849 /nfs/dbraw/zinc/56/78/49/1428567849.db2.gz VASJVLKUENQRCW-VGSWGCGISA-N 1 1 393.487 3.160 20 30 GGEDMO C=CCOc1cccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108421117 1411497889 /nfs/dbraw/zinc/49/78/89/1411497889.db2.gz DFNAXHJSASJAAG-QFIPXVFZSA-N 1 1 393.531 3.239 20 30 GGEDMO C=CCOc1cccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108421117 1411497895 /nfs/dbraw/zinc/49/78/95/1411497895.db2.gz DFNAXHJSASJAAG-QFIPXVFZSA-N 1 1 393.531 3.239 20 30 GGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000108466516 1411511284 /nfs/dbraw/zinc/51/12/84/1411511284.db2.gz GQZPNMPAOJKQQM-HSZRJFAPSA-N 1 1 391.515 3.349 20 30 GGEDMO CC(C)[C@@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000108530285 1411531272 /nfs/dbraw/zinc/53/12/72/1411531272.db2.gz YEXHZNFRJLWRFX-FUHWJXTLSA-N 1 1 390.553 3.417 20 30 GGEDMO CC(C)[C@@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)[NH+]1CCOCC1 ZINC000108530293 1411531836 /nfs/dbraw/zinc/53/18/36/1411531836.db2.gz YEXHZNFRJLWRFX-SJLPKXTDSA-N 1 1 390.553 3.417 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C1=O ZINC000177064943 1428575199 /nfs/dbraw/zinc/57/51/99/1428575199.db2.gz ZXTFXNCSSIRYEP-SFHVURJKSA-N 1 1 391.500 3.481 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177075124 1428578680 /nfs/dbraw/zinc/57/86/80/1428578680.db2.gz ARTWYGMSEKQNSG-ZIFCJYIRSA-N 1 1 386.565 3.311 20 30 GGEDMO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3c[nH]c4ncccc34)CC2)C1=O ZINC000177078801 1428580959 /nfs/dbraw/zinc/58/09/59/1428580959.db2.gz KRNHUKANAGCCFP-GOSISDBHSA-N 1 1 391.500 3.481 20 30 GGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000108889604 1411632830 /nfs/dbraw/zinc/63/28/30/1411632830.db2.gz FCDBYRHTJHZYJY-NRFANRHFSA-N 1 1 397.544 3.410 20 30 GGEDMO N#CC1(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCOCC1 ZINC000109138872 1411692158 /nfs/dbraw/zinc/69/21/58/1411692158.db2.gz LBJYBRMXKDHWML-UHFFFAOYSA-N 1 1 395.425 3.060 20 30 GGEDMO N#CC1(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCOCC1 ZINC000109138872 1411692165 /nfs/dbraw/zinc/69/21/65/1411692165.db2.gz LBJYBRMXKDHWML-UHFFFAOYSA-N 1 1 395.425 3.060 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C[N@H+]1C1CC1 ZINC000177100062 1428588075 /nfs/dbraw/zinc/58/80/75/1428588075.db2.gz FXJOOQHVEJOPEA-OXJNMPFZSA-N 1 1 375.472 3.492 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109404723 1411755819 /nfs/dbraw/zinc/75/58/19/1411755819.db2.gz PYYFMKBHUUVNSI-NRFANRHFSA-N 1 1 381.476 3.167 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000109796256 1411810970 /nfs/dbraw/zinc/81/09/70/1411810970.db2.gz OWMGRJZJBMVIAA-INIZCTEOSA-N 1 1 383.521 3.410 20 30 GGEDMO C=CCOc1ccc(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000109854574 1411814666 /nfs/dbraw/zinc/81/46/66/1411814666.db2.gz BPNABOINNUHWOW-LJQANCHMSA-N 1 1 393.487 3.201 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000177138271 1428599244 /nfs/dbraw/zinc/59/92/44/1428599244.db2.gz QOTBWVYJOIBREH-LJQANCHMSA-N 1 1 383.879 3.484 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000177138271 1428599248 /nfs/dbraw/zinc/59/92/48/1428599248.db2.gz QOTBWVYJOIBREH-LJQANCHMSA-N 1 1 383.879 3.484 20 30 GGEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000110189005 1411836175 /nfs/dbraw/zinc/83/61/75/1411836175.db2.gz OSOHQXJJZNETCC-ROUUACIJSA-N 1 1 387.524 3.111 20 30 GGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cc1ccc(OCC#N)cc1 ZINC000110188555 1411836220 /nfs/dbraw/zinc/83/62/20/1411836220.db2.gz IGGHEFHEULWYGP-IRLDBZIGSA-N 1 1 375.472 3.274 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[N@H+]1C1CC1 ZINC000177138436 1428600011 /nfs/dbraw/zinc/60/00/11/1428600011.db2.gz MRPCVSNNBBDUDQ-OXQOHEQNSA-N 1 1 375.472 3.492 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[N@H+]1C1CC1 ZINC000177138451 1428600060 /nfs/dbraw/zinc/60/00/60/1428600060.db2.gz MRPCVSNNBBDUDQ-OXJNMPFZSA-N 1 1 375.472 3.492 20 30 GGEDMO C[C@H](CN1CCOCC1)[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000111054817 1411884636 /nfs/dbraw/zinc/88/46/36/1411884636.db2.gz RGZGXIFKYIHEIE-HXUWFJFHSA-N 1 1 379.504 3.160 20 30 GGEDMO C[C@@H](CN1CCOCC1)[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000111054399 1411884703 /nfs/dbraw/zinc/88/47/03/1411884703.db2.gz DSNKZRFKPUZLRC-FQEVSTJZSA-N 1 1 379.504 3.160 20 30 GGEDMO C=CC1CC[NH+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)CC1 ZINC000111166230 1411892723 /nfs/dbraw/zinc/89/27/23/1411892723.db2.gz QXTFSBIQJZVDBE-UHFFFAOYSA-N 1 1 381.523 3.070 20 30 GGEDMO Cc1cc(C(=O)CON=C(N)C[N@H+]2CCCC[C@@H]2C)c(C)n1CC(F)(F)F ZINC000111179316 1411894096 /nfs/dbraw/zinc/89/40/96/1411894096.db2.gz ZZCOHTGSFUKWEF-LBPRGKRZSA-N 1 1 388.434 3.013 20 30 GGEDMO Cc1cc(C(=O)CON=C(N)C[N@@H+]2CCCC[C@@H]2C)c(C)n1CC(F)(F)F ZINC000111179316 1411894097 /nfs/dbraw/zinc/89/40/97/1411894097.db2.gz ZZCOHTGSFUKWEF-LBPRGKRZSA-N 1 1 388.434 3.013 20 30 GGEDMO C=CC1CC[NH+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000111256425 1411897778 /nfs/dbraw/zinc/89/77/78/1411897778.db2.gz RYHXPUMOSJBOQP-GOSISDBHSA-N 1 1 396.535 3.254 20 30 GGEDMO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCC1 ZINC000111295979 1411903412 /nfs/dbraw/zinc/90/34/12/1411903412.db2.gz INCUXBRSUWVGOT-QGZVFWFLSA-N 1 1 384.524 3.088 20 30 GGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000177174334 1428613700 /nfs/dbraw/zinc/61/37/00/1428613700.db2.gz RNDDJLCIVSMTCX-IRLDBZIGSA-N 1 1 377.488 3.226 20 30 GGEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000111694904 1412012260 /nfs/dbraw/zinc/01/22/60/1412012260.db2.gz ZUXJKBYEJZRFMC-GPFNJZLUSA-N 1 1 380.488 3.343 20 30 GGEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000111694904 1412012266 /nfs/dbraw/zinc/01/22/66/1412012266.db2.gz ZUXJKBYEJZRFMC-GPFNJZLUSA-N 1 1 380.488 3.343 20 30 GGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000111693413 1412012629 /nfs/dbraw/zinc/01/26/29/1412012629.db2.gz ZBKFZHFYQLODGK-HSZRJFAPSA-N 1 1 394.515 3.421 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000111731481 1412019408 /nfs/dbraw/zinc/01/94/08/1412019408.db2.gz CFFHYAYQZSWVFC-KRWDZBQOSA-N 1 1 380.492 3.244 20 30 GGEDMO NC(=[NH+]OCC(=O)NCCC(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000112086701 1412074151 /nfs/dbraw/zinc/07/41/51/1412074151.db2.gz ZTUIOCVIIINZMZ-UHFFFAOYSA-N 1 1 395.503 3.040 20 30 GGEDMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000112457049 1412149683 /nfs/dbraw/zinc/14/96/83/1412149683.db2.gz NPRSQQUZLIETAH-KRWDZBQOSA-N 1 1 378.476 3.242 20 30 GGEDMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000112457052 1412149878 /nfs/dbraw/zinc/14/98/78/1412149878.db2.gz NPRSQQUZLIETAH-QGZVFWFLSA-N 1 1 378.476 3.242 20 30 GGEDMO C=CCNC(=O)c1ccc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc1 ZINC000112555428 1412168232 /nfs/dbraw/zinc/16/82/32/1412168232.db2.gz VVSBPIBMAUZGPM-UHFFFAOYSA-N 1 1 378.520 3.346 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCCC[C@H]2CCO)c1C#N ZINC000112582925 1412172741 /nfs/dbraw/zinc/17/27/41/1412172741.db2.gz QMGKDOUCNPEINK-SFHVURJKSA-N 1 1 398.482 3.280 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCCC[C@H]2CCO)c1C#N ZINC000112582925 1412172752 /nfs/dbraw/zinc/17/27/52/1412172752.db2.gz QMGKDOUCNPEINK-SFHVURJKSA-N 1 1 398.482 3.280 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCCC[C@H]2CCO)c1C#N ZINC000112583156 1412172780 /nfs/dbraw/zinc/17/27/80/1412172780.db2.gz QLBIAGVSWQLJJB-SFHVURJKSA-N 1 1 398.482 3.280 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCCC[C@H]2CCO)c1C#N ZINC000112583156 1412172790 /nfs/dbraw/zinc/17/27/90/1412172790.db2.gz QLBIAGVSWQLJJB-SFHVURJKSA-N 1 1 398.482 3.280 20 30 GGEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)CCc2ccccc2)sc2c1CCCC2 ZINC000112698710 1412195021 /nfs/dbraw/zinc/19/50/21/1412195021.db2.gz ZTOZFQKQBRPGFS-UHFFFAOYSA-N 1 1 397.544 3.364 20 30 GGEDMO C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000112976270 1412249355 /nfs/dbraw/zinc/24/93/55/1412249355.db2.gz KEACAWGTKNCSSB-KRWDZBQOSA-N 1 1 388.475 3.272 20 30 GGEDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000112989525 1412251164 /nfs/dbraw/zinc/25/11/64/1412251164.db2.gz JXUJFKBCQHDXDH-KRWDZBQOSA-N 1 1 398.482 3.402 20 30 GGEDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000112989525 1412251174 /nfs/dbraw/zinc/25/11/74/1412251174.db2.gz JXUJFKBCQHDXDH-KRWDZBQOSA-N 1 1 398.482 3.402 20 30 GGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000112997859 1412253564 /nfs/dbraw/zinc/25/35/64/1412253564.db2.gz UOPFTFHBIHVTBO-OKILXGFUSA-N 1 1 392.525 3.278 20 30 GGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000112997859 1412253572 /nfs/dbraw/zinc/25/35/72/1412253572.db2.gz UOPFTFHBIHVTBO-OKILXGFUSA-N 1 1 392.525 3.278 20 30 GGEDMO COCCCN1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000113333512 1412294160 /nfs/dbraw/zinc/29/41/60/1412294160.db2.gz AGBMZBYSYRANDZ-UHFFFAOYSA-N 1 1 381.524 3.054 20 30 GGEDMO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000113404843 1412303484 /nfs/dbraw/zinc/30/34/84/1412303484.db2.gz OQADKWGQDUXDHZ-QFIPXVFZSA-N 1 1 397.567 3.040 20 30 GGEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000113404843 1412303489 /nfs/dbraw/zinc/30/34/89/1412303489.db2.gz OQADKWGQDUXDHZ-QFIPXVFZSA-N 1 1 397.567 3.040 20 30 GGEDMO CC1(C)CN(C(=O)NCc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000113629665 1412324107 /nfs/dbraw/zinc/32/41/07/1412324107.db2.gz ONVRNXANULUHAH-UHFFFAOYSA-N 1 1 392.503 3.395 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000113945140 1412357534 /nfs/dbraw/zinc/35/75/34/1412357534.db2.gz MOJGWELZTHTKAP-HOTGVXAUSA-N 1 1 395.956 3.487 20 30 GGEDMO C[NH+](C)C1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CCOCC1 ZINC000113959920 1412358969 /nfs/dbraw/zinc/35/89/69/1412358969.db2.gz RFKYFZICZOBLDT-UHFFFAOYSA-N 1 1 379.504 3.338 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000113971868 1412360747 /nfs/dbraw/zinc/36/07/47/1412360747.db2.gz MDZUPUQCVIUPFF-SFHVURJKSA-N 1 1 398.532 3.287 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000113971868 1412360754 /nfs/dbraw/zinc/36/07/54/1412360754.db2.gz MDZUPUQCVIUPFF-SFHVURJKSA-N 1 1 398.532 3.287 20 30 GGEDMO C[NH+](C)CCCOc1cccc(NS(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000114054066 1412377858 /nfs/dbraw/zinc/37/78/58/1412377858.db2.gz BIRDKPGIAAPXEO-UHFFFAOYSA-N 1 1 393.896 3.343 20 30 GGEDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000114186950 1412388751 /nfs/dbraw/zinc/38/87/51/1412388751.db2.gz RIEJWDYTXDBCIR-IAGOWNOFSA-N 1 1 375.538 3.453 20 30 GGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000114186950 1412388757 /nfs/dbraw/zinc/38/87/57/1412388757.db2.gz RIEJWDYTXDBCIR-IAGOWNOFSA-N 1 1 375.538 3.453 20 30 GGEDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000114186949 1412388798 /nfs/dbraw/zinc/38/87/98/1412388798.db2.gz RIEJWDYTXDBCIR-SJORKVTESA-N 1 1 375.538 3.453 20 30 GGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000114186949 1412388805 /nfs/dbraw/zinc/38/88/05/1412388805.db2.gz RIEJWDYTXDBCIR-SJORKVTESA-N 1 1 375.538 3.453 20 30 GGEDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000114187213 1412389714 /nfs/dbraw/zinc/38/97/14/1412389714.db2.gz QPDIEYSYTYJDTH-WOJBJXKFSA-N 1 1 398.507 3.182 20 30 GGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000114187213 1412389721 /nfs/dbraw/zinc/38/97/21/1412389721.db2.gz QPDIEYSYTYJDTH-WOJBJXKFSA-N 1 1 398.507 3.182 20 30 GGEDMO N#CCCN(C(=O)C[N@H+](CCO)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000114193302 1412391696 /nfs/dbraw/zinc/39/16/96/1412391696.db2.gz ZITXIBPWKUNYCW-QFIPXVFZSA-N 1 1 377.488 3.305 20 30 GGEDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000114368445 1412420351 /nfs/dbraw/zinc/42/03/51/1412420351.db2.gz QAVXVXXUWQLACP-INIZCTEOSA-N 1 1 397.450 3.330 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)CC(C)(C)O ZINC000114487321 1412442639 /nfs/dbraw/zinc/44/26/39/1412442639.db2.gz VJGSKCRASBLGMI-UHFFFAOYSA-N 1 1 398.507 3.006 20 30 GGEDMO N#Cc1ccccc1OCc1cccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000114680819 1412495768 /nfs/dbraw/zinc/49/57/68/1412495768.db2.gz YVMHWNLUYAXAKK-SFHVURJKSA-N 1 1 375.472 3.351 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000114738582 1412514783 /nfs/dbraw/zinc/51/47/83/1412514783.db2.gz LEFDQTKXDHPRLT-KRWDZBQOSA-N 1 1 389.546 3.119 20 30 GGEDMO N#CCOc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000114790986 1412526230 /nfs/dbraw/zinc/52/62/30/1412526230.db2.gz JHFVLDOVTHUBBC-FQEVSTJZSA-N 1 1 378.476 3.053 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000114850186 1412541439 /nfs/dbraw/zinc/54/14/39/1412541439.db2.gz QNGOUPGTOIUZSJ-MRXNPFEDSA-N 1 1 385.489 3.061 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177265222 1428661224 /nfs/dbraw/zinc/66/12/24/1428661224.db2.gz VPHJSCWDHUSLHV-XJKSGUPXSA-N 1 1 390.553 3.192 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177265222 1428661237 /nfs/dbraw/zinc/66/12/37/1428661237.db2.gz VPHJSCWDHUSLHV-XJKSGUPXSA-N 1 1 390.553 3.192 20 30 GGEDMO C=CCn1c(=S)n(CN2CC[NH+](Cc3ccsc3)CC2)nc1C1CC1 ZINC000115285553 1412633796 /nfs/dbraw/zinc/63/37/96/1412633796.db2.gz UIYQWIVSHCTBPO-UHFFFAOYSA-N 1 1 375.567 3.314 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000115323736 1412647632 /nfs/dbraw/zinc/64/76/32/1412647632.db2.gz ZVIQIFBHSIVSTA-QHCPKHFHSA-N 1 1 389.499 3.297 20 30 GGEDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177276830 1428667673 /nfs/dbraw/zinc/66/76/73/1428667673.db2.gz XXEXYOSIYHYCJM-CQSZACIVSA-N 1 1 396.434 3.397 20 30 GGEDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177276830 1428667675 /nfs/dbraw/zinc/66/76/75/1428667675.db2.gz XXEXYOSIYHYCJM-CQSZACIVSA-N 1 1 396.434 3.397 20 30 GGEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000115433507 1412674524 /nfs/dbraw/zinc/67/45/24/1412674524.db2.gz OJXBLCNMFMQUGU-LJQANCHMSA-N 1 1 393.535 3.494 20 30 GGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000115512109 1412697516 /nfs/dbraw/zinc/69/75/16/1412697516.db2.gz NGQARUJMFKCSLA-UTKZUKDTSA-N 1 1 388.471 3.158 20 30 GGEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000115512928 1412699011 /nfs/dbraw/zinc/69/90/11/1412699011.db2.gz OMULPKXATVQNSI-LAUBAEHRSA-N 1 1 388.471 3.158 20 30 GGEDMO CC(C)c1ccc(C[NH+]2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000115532056 1412702292 /nfs/dbraw/zinc/70/22/92/1412702292.db2.gz GQXUPBNIIZLHPL-JOCHJYFZSA-N 1 1 376.504 3.026 20 30 GGEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115543516 1412704667 /nfs/dbraw/zinc/70/46/67/1412704667.db2.gz QPBYDPKREXVUNL-OAQYLSRUSA-N 1 1 391.450 3.178 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597141 1412724791 /nfs/dbraw/zinc/72/47/91/1412724791.db2.gz CKICFBRSHNIYBE-IXFSTUDKSA-N 1 1 390.531 3.352 20 30 GGEDMO N#Cc1ccc([C@H]([NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)C(N)=O)cc1 ZINC000115596836 1412725316 /nfs/dbraw/zinc/72/53/16/1412725316.db2.gz IBSVKOJZRGTAHW-DEOSSOPVSA-N 1 1 396.494 3.437 20 30 GGEDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000115598299 1412727170 /nfs/dbraw/zinc/72/71/70/1412727170.db2.gz QWSYIDMMUIPYJX-SJKOYZFVSA-N 1 1 377.366 3.377 20 30 GGEDMO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C(N)=O)cc1 ZINC000115598409 1412727643 /nfs/dbraw/zinc/72/76/43/1412727643.db2.gz PSAMGFXNEAFIIB-GOSISDBHSA-N 1 1 399.376 3.079 20 30 GGEDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000115612121 1412733254 /nfs/dbraw/zinc/73/32/54/1412733254.db2.gz KLBFMRIEMQDISV-ZDUSSCGKSA-N 1 1 391.518 3.045 20 30 GGEDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000115612121 1412733265 /nfs/dbraw/zinc/73/32/65/1412733265.db2.gz KLBFMRIEMQDISV-ZDUSSCGKSA-N 1 1 391.518 3.045 20 30 GGEDMO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000115704334 1412767410 /nfs/dbraw/zinc/76/74/10/1412767410.db2.gz HUALARMSZLLAJX-WIYYLYMNSA-N 1 1 389.515 3.108 20 30 GGEDMO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177295123 1428675854 /nfs/dbraw/zinc/67/58/54/1428675854.db2.gz QHHYBABFGYHYGB-UHFFFAOYSA-N 1 1 389.971 3.108 20 30 GGEDMO COc1ccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccc(F)cc2)cc1 ZINC000115886685 1412810056 /nfs/dbraw/zinc/81/00/56/1412810056.db2.gz BIMKDLQNHLQKOC-YADHBBJMSA-N 1 1 381.451 3.322 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000116453171 1412862345 /nfs/dbraw/zinc/86/23/45/1412862345.db2.gz INIHLSNUCMJQDI-QZTJIDSGSA-N 1 1 377.488 3.026 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000116498763 1412868937 /nfs/dbraw/zinc/86/89/37/1412868937.db2.gz ONNAFJBCUUHPCY-DLBZAZTESA-N 1 1 392.544 3.097 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000116498763 1412868939 /nfs/dbraw/zinc/86/89/39/1412868939.db2.gz ONNAFJBCUUHPCY-DLBZAZTESA-N 1 1 392.544 3.097 20 30 GGEDMO COCC[N@@H+](C)CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116745985 1412914496 /nfs/dbraw/zinc/91/44/96/1412914496.db2.gz CBMGZVKBHDNPNN-UHFFFAOYSA-N 1 1 387.867 3.312 20 30 GGEDMO COCC[N@@H+](C)CCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000116745969 1412915179 /nfs/dbraw/zinc/91/51/79/1412915179.db2.gz GKZAERGMTLINOD-UHFFFAOYSA-N 1 1 387.867 3.312 20 30 GGEDMO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116877297 1412947164 /nfs/dbraw/zinc/94/71/64/1412947164.db2.gz YTYBYTTUHIYFTN-FQEVSTJZSA-N 1 1 393.487 3.246 20 30 GGEDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116877297 1412947172 /nfs/dbraw/zinc/94/71/72/1412947172.db2.gz YTYBYTTUHIYFTN-FQEVSTJZSA-N 1 1 393.487 3.246 20 30 GGEDMO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116877301 1412947419 /nfs/dbraw/zinc/94/74/19/1412947419.db2.gz YTYBYTTUHIYFTN-HXUWFJFHSA-N 1 1 393.487 3.246 20 30 GGEDMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116877301 1412947424 /nfs/dbraw/zinc/94/74/24/1412947424.db2.gz YTYBYTTUHIYFTN-HXUWFJFHSA-N 1 1 393.487 3.246 20 30 GGEDMO COCCOC1CC[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000116884161 1412949458 /nfs/dbraw/zinc/94/94/58/1412949458.db2.gz BBZZJHQNAVXVJL-UHFFFAOYSA-N 1 1 393.915 3.023 20 30 GGEDMO N#Cc1ccccc1COc1cccc(CNCCC[NH+]2CCC(O)CC2)c1 ZINC000116914779 1412955581 /nfs/dbraw/zinc/95/55/81/1412955581.db2.gz SLNXEPMNAWWYJR-UHFFFAOYSA-N 1 1 379.504 3.074 20 30 GGEDMO CS[C@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000117507328 1413044515 /nfs/dbraw/zinc/04/45/15/1413044515.db2.gz KBUGIGMHMUSFLK-PMACEKPBSA-N 1 1 386.565 3.450 20 30 GGEDMO N#CCCn1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000117718302 1413070793 /nfs/dbraw/zinc/07/07/93/1413070793.db2.gz UMJSVOGCPDQMEM-SFHVURJKSA-N 1 1 391.397 3.190 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000117892549 1413086608 /nfs/dbraw/zinc/08/66/08/1413086608.db2.gz QBYXZPIALDSSHR-IBGZPJMESA-N 1 1 379.460 3.357 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000117892549 1413086617 /nfs/dbraw/zinc/08/66/17/1413086617.db2.gz QBYXZPIALDSSHR-IBGZPJMESA-N 1 1 379.460 3.357 20 30 GGEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000118125165 1413114142 /nfs/dbraw/zinc/11/41/42/1413114142.db2.gz QELLNJGUICPNHU-HOTGVXAUSA-N 1 1 388.537 3.010 20 30 GGEDMO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391124 1413158425 /nfs/dbraw/zinc/15/84/25/1413158425.db2.gz RNIHBSAIHDBVIB-IBGZPJMESA-N 1 1 376.504 3.492 20 30 GGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000118397823 1413158506 /nfs/dbraw/zinc/15/85/06/1413158506.db2.gz WLEMNPWPNUFTNB-BEFAXECRSA-N 1 1 387.480 3.201 20 30 GGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000118397823 1413158519 /nfs/dbraw/zinc/15/85/19/1413158519.db2.gz WLEMNPWPNUFTNB-BEFAXECRSA-N 1 1 387.480 3.201 20 30 GGEDMO CC[N@H+]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000118826414 1413235010 /nfs/dbraw/zinc/23/50/10/1413235010.db2.gz BEHZGJCJYJNLAS-UHFFFAOYSA-N 1 1 397.498 3.071 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2C(C)(C)O)c1C#N ZINC000118994993 1413296704 /nfs/dbraw/zinc/29/67/04/1413296704.db2.gz RLJBKXWNCVKYAI-IBGZPJMESA-N 1 1 380.492 3.140 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000119139763 1413352812 /nfs/dbraw/zinc/35/28/12/1413352812.db2.gz WGNLZKMZDBPYPG-QHCPKHFHSA-N 1 1 386.499 3.484 20 30 GGEDMO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000119208334 1413375976 /nfs/dbraw/zinc/37/59/76/1413375976.db2.gz ANUFFIYLGQTGEF-QGZVFWFLSA-N 1 1 383.467 3.443 20 30 GGEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000119473916 1413459585 /nfs/dbraw/zinc/45/95/85/1413459585.db2.gz SEMIAQWQJIAZHL-HNNXBMFYSA-N 1 1 390.505 3.100 20 30 GGEDMO C[C@H]1CN(c2ccc(NC(=O)CO[NH+]=C(N)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000119763927 1413559641 /nfs/dbraw/zinc/55/96/41/1413559641.db2.gz RIIHRENVPRZKOM-HOTGVXAUSA-N 1 1 388.512 3.108 20 30 GGEDMO N#Cc1csc(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000177440088 1428737400 /nfs/dbraw/zinc/73/74/00/1428737400.db2.gz NEGMNGUGJYPKCG-UHFFFAOYSA-N 1 1 388.924 3.215 20 30 GGEDMO C#Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000119835317 1413587044 /nfs/dbraw/zinc/58/70/44/1413587044.db2.gz MHWZNLFMUCIWSS-YADHBBJMSA-N 1 1 382.552 3.469 20 30 GGEDMO COc1ccc(CN2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)cc1F ZINC000119916112 1413615927 /nfs/dbraw/zinc/61/59/27/1413615927.db2.gz BIAIFTPYXMERKA-QGZVFWFLSA-N 1 1 383.467 3.443 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000120034352 1413661961 /nfs/dbraw/zinc/66/19/61/1413661961.db2.gz GSOCZEYWEZJYIB-INIZCTEOSA-N 1 1 398.536 3.146 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1C#N ZINC000120039505 1413664215 /nfs/dbraw/zinc/66/42/15/1413664215.db2.gz GGQXPYBVAQLYOW-QGZVFWFLSA-N 1 1 386.496 3.481 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1C#N ZINC000120039505 1413664219 /nfs/dbraw/zinc/66/42/19/1413664219.db2.gz GGQXPYBVAQLYOW-QGZVFWFLSA-N 1 1 386.496 3.481 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C#N)s2)C(C)C)cc1 ZINC000120110405 1413691860 /nfs/dbraw/zinc/69/18/60/1413691860.db2.gz YOIOOKBVOSBUBF-KRWDZBQOSA-N 1 1 387.505 3.228 20 30 GGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000120122780 1413696446 /nfs/dbraw/zinc/69/64/46/1413696446.db2.gz RCLOJAYEPVQUEZ-UHFFFAOYSA-N 1 1 393.553 3.006 20 30 GGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000120122780 1413696450 /nfs/dbraw/zinc/69/64/50/1413696450.db2.gz RCLOJAYEPVQUEZ-UHFFFAOYSA-N 1 1 393.553 3.006 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cc(Cl)cn2C)c(OC)c1 ZINC000120245641 1413749347 /nfs/dbraw/zinc/74/93/47/1413749347.db2.gz MOSUNXYQJKZVSD-SFHVURJKSA-N 1 1 378.900 3.287 20 30 GGEDMO Cn1ccnc1[C@@H](O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000120533095 1413837932 /nfs/dbraw/zinc/83/79/32/1413837932.db2.gz XKEFRANTWQSMGM-SFHVURJKSA-N 1 1 393.409 3.116 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1C#N ZINC000120603940 1413853067 /nfs/dbraw/zinc/85/30/67/1413853067.db2.gz JUTACZZNPIWJFP-UYAOXDASSA-N 1 1 394.519 3.056 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1C#N ZINC000120603940 1413853069 /nfs/dbraw/zinc/85/30/69/1413853069.db2.gz JUTACZZNPIWJFP-UYAOXDASSA-N 1 1 394.519 3.056 20 30 GGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(OCC#N)c1 ZINC000120706655 1413880271 /nfs/dbraw/zinc/88/02/71/1413880271.db2.gz OSSHUTDXSOORPM-NRFANRHFSA-N 1 1 377.488 3.112 20 30 GGEDMO COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000120752875 1413892505 /nfs/dbraw/zinc/89/25/05/1413892505.db2.gz JLALDPGTDOQTOM-QGZVFWFLSA-N 1 1 399.516 3.024 20 30 GGEDMO COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000120752875 1413892507 /nfs/dbraw/zinc/89/25/07/1413892507.db2.gz JLALDPGTDOQTOM-QGZVFWFLSA-N 1 1 399.516 3.024 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000120808710 1413909819 /nfs/dbraw/zinc/90/98/19/1413909819.db2.gz VISUTMFAMSACRM-AVRDEDQJSA-N 1 1 377.488 3.158 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCc4occc43)CC2)cc1 ZINC000120908625 1413944964 /nfs/dbraw/zinc/94/49/64/1413944964.db2.gz ZNBOOEPXSSIOTD-HXUWFJFHSA-N 1 1 378.476 3.446 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCc4occc43)CC2)cc1 ZINC000120908797 1413945014 /nfs/dbraw/zinc/94/50/14/1413945014.db2.gz ZNBOOEPXSSIOTD-FQEVSTJZSA-N 1 1 378.476 3.446 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000121176734 1414033836 /nfs/dbraw/zinc/03/38/36/1414033836.db2.gz ZZKAZURBADFMSL-BUVFEPMLSA-N 1 1 375.472 3.469 20 30 GGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1 ZINC000121247461 1414057504 /nfs/dbraw/zinc/05/75/04/1414057504.db2.gz ZVRGGVLZGDWZGH-UHFFFAOYSA-N 1 1 376.504 3.385 20 30 GGEDMO CC(C)C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](O)c1ccc(F)cc1 ZINC000121295639 1414075429 /nfs/dbraw/zinc/07/54/29/1414075429.db2.gz VZGLYDOVWZSOJL-IBGZPJMESA-N 1 1 375.488 3.160 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000121412229 1414113032 /nfs/dbraw/zinc/11/30/32/1414113032.db2.gz MZGWJQXQIZOGAB-UHFFFAOYSA-N 1 1 388.475 3.180 20 30 GGEDMO Cc1cc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)nc(-c2ccc(Cl)cc2)n1 ZINC000121412052 1414113235 /nfs/dbraw/zinc/11/32/35/1414113235.db2.gz CHOOLYDHQVHLDB-UHFFFAOYSA-N 1 1 395.898 3.347 20 30 GGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H]3C(=O)NC3CC3)c2)c1 ZINC000121494351 1414149062 /nfs/dbraw/zinc/14/90/62/1414149062.db2.gz GJMVGKYVRIDMDQ-JOCHJYFZSA-N 1 1 375.472 3.380 20 30 GGEDMO C[C@H](c1cn(-c2ccccc2)nn1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000121621545 1414203378 /nfs/dbraw/zinc/20/33/78/1414203378.db2.gz FCHNPVMCVXCPJU-LJQANCHMSA-N 1 1 386.503 3.408 20 30 GGEDMO N#CCOc1cccc(CC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000121889433 1414292353 /nfs/dbraw/zinc/29/23/53/1414292353.db2.gz YXPKROSGMIOAEW-UHFFFAOYSA-N 1 1 381.501 3.319 20 30 GGEDMO CCC[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1CCOC ZINC000121925041 1414309710 /nfs/dbraw/zinc/30/97/10/1414309710.db2.gz WSFMNKQKZNYQEI-SFHVURJKSA-N 1 1 384.442 3.369 20 30 GGEDMO NC(CCCc1ccccc1)=[NH+]OCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000177576867 1428800976 /nfs/dbraw/zinc/80/09/76/1428800976.db2.gz WWUNVQXIWDGFLB-UHFFFAOYSA-N 1 1 382.432 3.495 20 30 GGEDMO N#CCCn1cc(C[N@H+](CCC(N)=O)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000122082166 1414357875 /nfs/dbraw/zinc/35/78/75/1414357875.db2.gz IWGSODVXGWARKQ-UHFFFAOYSA-N 1 1 387.487 3.341 20 30 GGEDMO CC[C@@H](NC(=O)c1cccc(CC#N)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177608492 1428809651 /nfs/dbraw/zinc/80/96/51/1428809651.db2.gz OUIKIZUEAGEUHB-YADHBBJMSA-N 1 1 377.488 3.162 20 30 GGEDMO CC[C@@H](NC(=O)c1cccc(CC#N)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177608492 1428809655 /nfs/dbraw/zinc/80/96/55/1428809655.db2.gz OUIKIZUEAGEUHB-YADHBBJMSA-N 1 1 377.488 3.162 20 30 GGEDMO N#Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000122485539 1414477782 /nfs/dbraw/zinc/47/77/82/1414477782.db2.gz KZLPNLCRTPJXSS-IRLDBZIGSA-N 1 1 395.528 3.233 20 30 GGEDMO COc1cc(OC)c(OC)cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122822929 1414573896 /nfs/dbraw/zinc/57/38/96/1414573896.db2.gz CRWIKHGNOMKQAZ-UHFFFAOYSA-N 1 1 395.503 3.292 20 30 GGEDMO Cn1c(Cl)nc(Cl)c1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122829796 1414575175 /nfs/dbraw/zinc/57/51/75/1414575175.db2.gz YKLURCCUMIFCIK-UHFFFAOYSA-N 1 1 378.307 3.306 20 30 GGEDMO C=CCOc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000122895027 1414591329 /nfs/dbraw/zinc/59/13/29/1414591329.db2.gz NHJMEQVVWLLACZ-KNQAVFIVSA-N 1 1 395.503 3.256 20 30 GGEDMO CC(=O)Oc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000123012105 1414619147 /nfs/dbraw/zinc/61/91/47/1414619147.db2.gz WFIIFDBETIVUKB-UHFFFAOYSA-N 1 1 386.455 3.354 20 30 GGEDMO C=CCCCCCN(C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000123351653 1414703779 /nfs/dbraw/zinc/70/37/79/1414703779.db2.gz YRCIISHXXINSRC-GOSISDBHSA-N 1 1 387.524 3.223 20 30 GGEDMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000123536250 1414766278 /nfs/dbraw/zinc/76/62/78/1414766278.db2.gz VLJXGHXEMSONBI-KRWDZBQOSA-N 1 1 391.899 3.091 20 30 GGEDMO CC(C)c1[nH+]ccn1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000123632477 1414800721 /nfs/dbraw/zinc/80/07/21/1414800721.db2.gz OOTCDQFAYWRHSB-INIZCTEOSA-N 1 1 395.507 3.376 20 30 GGEDMO C#CCCCCNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000123726511 1414816294 /nfs/dbraw/zinc/81/62/94/1414816294.db2.gz KXEUQVVWZCHBGW-UHFFFAOYSA-N 1 1 380.492 3.409 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000123831388 1414831572 /nfs/dbraw/zinc/83/15/72/1414831572.db2.gz CZGQJIMWNVRCCI-LJQANCHMSA-N 1 1 389.499 3.016 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000123845988 1414833695 /nfs/dbraw/zinc/83/36/95/1414833695.db2.gz LTPDAOZXAAZJKE-UHFFFAOYSA-N 1 1 391.431 3.254 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCCCNC2=O)cc1OC ZINC000123917286 1414849332 /nfs/dbraw/zinc/84/93/32/1414849332.db2.gz LFCGEOXGUPVYTL-HNNXBMFYSA-N 1 1 397.313 3.123 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCCCNC2=O)cc1OC ZINC000123917286 1414849334 /nfs/dbraw/zinc/84/93/34/1414849334.db2.gz LFCGEOXGUPVYTL-HNNXBMFYSA-N 1 1 397.313 3.123 20 30 GGEDMO C=CCOc1cccc(CNc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)c1 ZINC000124004209 1414867503 /nfs/dbraw/zinc/86/75/03/1414867503.db2.gz LKUUAEYTELGZET-UHFFFAOYSA-N 1 1 395.503 3.260 20 30 GGEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000124150647 1414896187 /nfs/dbraw/zinc/89/61/87/1414896187.db2.gz VHFJTOFCMJIJFM-SFHVURJKSA-N 1 1 384.524 3.151 20 30 GGEDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000124217364 1414911359 /nfs/dbraw/zinc/91/13/59/1414911359.db2.gz WFMNCEMUSHEDSP-UHFFFAOYSA-N 1 1 379.464 3.010 20 30 GGEDMO C=CCc1ccc(OCC(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)c(OC)c1 ZINC000124413867 1414962563 /nfs/dbraw/zinc/96/25/63/1414962563.db2.gz OGYWMEHDVSZJTI-UHFFFAOYSA-N 1 1 378.432 3.330 20 30 GGEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1ccc(CC#N)cc1 ZINC000124494913 1414981367 /nfs/dbraw/zinc/98/13/67/1414981367.db2.gz OTHSKSDDRCPQPF-GOSISDBHSA-N 1 1 377.492 3.085 20 30 GGEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Nc1ccc(CC#N)cc1 ZINC000124494725 1414981554 /nfs/dbraw/zinc/98/15/54/1414981554.db2.gz OTHSKSDDRCPQPF-SFHVURJKSA-N 1 1 377.492 3.085 20 30 GGEDMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000125203421 1415129977 /nfs/dbraw/zinc/12/99/77/1415129977.db2.gz IQZOMQLOKCLMKW-INIZCTEOSA-N 1 1 397.450 3.379 20 30 GGEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000125203421 1415129984 /nfs/dbraw/zinc/12/99/84/1415129984.db2.gz IQZOMQLOKCLMKW-INIZCTEOSA-N 1 1 397.450 3.379 20 30 GGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000125247445 1415140078 /nfs/dbraw/zinc/14/00/78/1415140078.db2.gz LAGYWUWTDVTDJD-HXUWFJFHSA-N 1 1 398.894 3.485 20 30 GGEDMO N#Cc1cc(F)c(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)c(F)c1 ZINC000125618960 1415239457 /nfs/dbraw/zinc/23/94/57/1415239457.db2.gz LSWWYIXRQGWZJI-UHFFFAOYSA-N 1 1 391.443 3.128 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(F)cc3C#N)c2)CCO1 ZINC000177894954 1428885804 /nfs/dbraw/zinc/88/58/04/1428885804.db2.gz NVSTYUFOEKHMAC-OAHLLOKOSA-N 1 1 382.439 3.240 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(F)cc3C#N)c2)CCO1 ZINC000177894954 1428885807 /nfs/dbraw/zinc/88/58/07/1428885807.db2.gz NVSTYUFOEKHMAC-OAHLLOKOSA-N 1 1 382.439 3.240 20 30 GGEDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000125826788 1415291235 /nfs/dbraw/zinc/29/12/35/1415291235.db2.gz JOVWZYGPCMMKKA-DNVCBOLYSA-N 1 1 387.480 3.029 20 30 GGEDMO Cc1cccc(NC(=O)N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000125991282 1415331318 /nfs/dbraw/zinc/33/13/18/1415331318.db2.gz PFYMLPFIUAXDBQ-UHFFFAOYSA-N 1 1 378.476 3.485 20 30 GGEDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000125993191 1415332251 /nfs/dbraw/zinc/33/22/51/1415332251.db2.gz YPUWCLJRDBOYLI-UGKGYDQZSA-N 1 1 392.503 3.434 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCCO2)c1C#N ZINC000126072693 1415350419 /nfs/dbraw/zinc/35/04/19/1415350419.db2.gz IXGKIEPZYAXPBU-FQEVSTJZSA-N 1 1 394.519 3.464 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCCO2)c1C#N ZINC000126072693 1415350425 /nfs/dbraw/zinc/35/04/25/1415350425.db2.gz IXGKIEPZYAXPBU-FQEVSTJZSA-N 1 1 394.519 3.464 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000126230640 1415389525 /nfs/dbraw/zinc/38/95/25/1415389525.db2.gz JXRWKWFDUXLREN-LJQANCHMSA-N 1 1 377.488 3.254 20 30 GGEDMO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126427638 1415450261 /nfs/dbraw/zinc/45/02/61/1415450261.db2.gz YUJVOVSZRLYEHI-GHTZIAJQSA-N 1 1 394.519 3.142 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000177996906 1428922827 /nfs/dbraw/zinc/92/28/27/1428922827.db2.gz OEMPQJUIASYSHE-RTWAWAEBSA-N 1 1 382.508 3.011 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126498145 1415470742 /nfs/dbraw/zinc/47/07/42/1415470742.db2.gz SLGKFYKNEVJCDH-OAHLLOKOSA-N 1 1 395.290 3.102 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126498145 1415470746 /nfs/dbraw/zinc/47/07/46/1415470746.db2.gz SLGKFYKNEVJCDH-OAHLLOKOSA-N 1 1 395.290 3.102 20 30 GGEDMO Cc1nc(SCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C#N)c(C)c1C ZINC000126645074 1415515660 /nfs/dbraw/zinc/51/56/60/1415515660.db2.gz SVGLNOZZXCSMRI-XLIONFOSSA-N 1 1 398.576 3.446 20 30 GGEDMO N#Cc1ccc([C@H](O)C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000126664990 1415521121 /nfs/dbraw/zinc/52/11/21/1415521121.db2.gz UFVGYGCLGYFFFE-HXUWFJFHSA-N 1 1 389.421 3.428 20 30 GGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000178043103 1428953240 /nfs/dbraw/zinc/95/32/40/1428953240.db2.gz VICYXIDCLPZGEI-IBGZPJMESA-N 1 1 390.487 3.029 20 30 GGEDMO C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000126975846 1415622848 /nfs/dbraw/zinc/62/28/48/1415622848.db2.gz XGDWTWPSWCBZNE-QAPCUYQASA-N 1 1 381.501 3.158 20 30 GGEDMO C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000126975846 1415622856 /nfs/dbraw/zinc/62/28/56/1415622856.db2.gz XGDWTWPSWCBZNE-QAPCUYQASA-N 1 1 381.501 3.158 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178063748 1428964486 /nfs/dbraw/zinc/96/44/86/1428964486.db2.gz UMKSFPHYWJGANH-GOSISDBHSA-N 1 1 390.487 3.029 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3noc(-c4ccsc4)n3)CC2)cc1 ZINC000127271856 1415711487 /nfs/dbraw/zinc/71/14/87/1415711487.db2.gz IOMBKBPAHKONDQ-UHFFFAOYSA-N 1 1 379.489 3.378 20 30 GGEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCC[NH+]2CCSCC2)cc1C ZINC000127288129 1415720587 /nfs/dbraw/zinc/72/05/87/1415720587.db2.gz MJEZCJVXXAKUGJ-UHFFFAOYSA-N 1 1 398.532 3.286 20 30 GGEDMO C#CC[N@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@H]1CCc2ccccc21 ZINC000127532421 1415805753 /nfs/dbraw/zinc/80/57/53/1415805753.db2.gz VNKPNJZIEPESOT-IBGZPJMESA-N 1 1 398.890 3.335 20 30 GGEDMO CC[N@@H+](C)[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1ccccc1 ZINC000127565808 1415811199 /nfs/dbraw/zinc/81/11/99/1415811199.db2.gz FNJYALRRSKZTKI-QFIPXVFZSA-N 1 1 392.503 3.151 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(C)c2NC(=O)c2ccccc2F)CC1 ZINC000127874608 1415868062 /nfs/dbraw/zinc/86/80/62/1415868062.db2.gz XOJLWMSFLOXXLA-UHFFFAOYSA-N 1 1 393.462 3.168 20 30 GGEDMO Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000128225375 1415943814 /nfs/dbraw/zinc/94/38/14/1415943814.db2.gz ZSKPRXQSIFBMJO-INIZCTEOSA-N 1 1 395.507 3.012 20 30 GGEDMO CN1CC[NH+](CCOc2ccc(NC(=O)c3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000128279756 1415953732 /nfs/dbraw/zinc/95/37/32/1415953732.db2.gz HUJOOSFHAKVYKT-UHFFFAOYSA-N 1 1 398.894 3.090 20 30 GGEDMO CCS[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000178248412 1429031822 /nfs/dbraw/zinc/03/18/22/1429031822.db2.gz YPSYHVDUVXZAHH-INIZCTEOSA-N 1 1 385.537 3.463 20 30 GGEDMO CCS[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000178248424 1429032290 /nfs/dbraw/zinc/03/22/90/1429032290.db2.gz YPSYHVDUVXZAHH-MRXNPFEDSA-N 1 1 385.537 3.463 20 30 GGEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000178257691 1429035100 /nfs/dbraw/zinc/03/51/00/1429035100.db2.gz HBJUMDXCCBYODN-KDURUIRLSA-N 1 1 383.536 3.229 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000128680549 1416041161 /nfs/dbraw/zinc/04/11/61/1416041161.db2.gz PIOSJDIAFVNOJD-PKOBYXMFSA-N 1 1 386.879 3.299 20 30 GGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000128793575 1416070438 /nfs/dbraw/zinc/07/04/38/1416070438.db2.gz UEGRVMIMOGGAAB-UHFFFAOYSA-N 1 1 392.503 3.194 20 30 GGEDMO Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccc(C#N)cc3F)CC2)cc1 ZINC000178342719 1429056092 /nfs/dbraw/zinc/05/60/92/1429056092.db2.gz OXECFLLKLFBDOX-UHFFFAOYSA-N 1 1 381.451 3.119 20 30 GGEDMO C=CCOc1cc(OC)ccc1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000128902274 1416097649 /nfs/dbraw/zinc/09/76/49/1416097649.db2.gz DREDVVJSTVVXPM-UHFFFAOYSA-N 1 1 396.491 3.066 20 30 GGEDMO C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1 ZINC000128955418 1416112830 /nfs/dbraw/zinc/11/28/30/1416112830.db2.gz KKOGDKDIJJQSOP-HNNXBMFYSA-N 1 1 383.517 3.340 20 30 GGEDMO C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000128955418 1416112838 /nfs/dbraw/zinc/11/28/38/1416112838.db2.gz KKOGDKDIJJQSOP-HNNXBMFYSA-N 1 1 383.517 3.340 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000128995964 1416122232 /nfs/dbraw/zinc/12/22/32/1416122232.db2.gz SWDRUVSNRDVCNU-KRWDZBQOSA-N 1 1 381.451 3.465 20 30 GGEDMO C=C(C)COc1cc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)ccc1OC ZINC000128999187 1416122836 /nfs/dbraw/zinc/12/28/36/1416122836.db2.gz LFTVZOHBDWHRPJ-QGZVFWFLSA-N 1 1 398.467 3.305 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000129046093 1416132981 /nfs/dbraw/zinc/13/29/81/1416132981.db2.gz XWEKRQCGOYTWJO-SNXQWQLTSA-N 1 1 382.508 3.173 20 30 GGEDMO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000129618894 1416237839 /nfs/dbraw/zinc/23/78/39/1416237839.db2.gz XOYXOCAQHUHLQN-CYBMUJFWSA-N 1 1 377.510 3.099 20 30 GGEDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000129618894 1416237844 /nfs/dbraw/zinc/23/78/44/1416237844.db2.gz XOYXOCAQHUHLQN-CYBMUJFWSA-N 1 1 377.510 3.099 20 30 GGEDMO C=CCc1cc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C)cc(OC)c1OC ZINC000129624439 1416239327 /nfs/dbraw/zinc/23/93/27/1416239327.db2.gz LAAMNKVQBMMBGE-UHFFFAOYSA-N 1 1 392.459 3.251 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129757919 1416259078 /nfs/dbraw/zinc/25/90/78/1416259078.db2.gz MXPKYARSJJZKDT-ZWOKBUDYSA-N 1 1 383.471 3.240 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3ccc(O)cc3)CC2)cc1 ZINC000129763548 1416259934 /nfs/dbraw/zinc/25/99/34/1416259934.db2.gz UXJQPWHWVOKIHH-UHFFFAOYSA-N 1 1 381.501 3.090 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3ccc(O)cc3)CC2)cc1 ZINC000129763548 1416259939 /nfs/dbraw/zinc/25/99/39/1416259939.db2.gz UXJQPWHWVOKIHH-UHFFFAOYSA-N 1 1 381.501 3.090 20 30 GGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000129763213 1416260085 /nfs/dbraw/zinc/26/00/85/1416260085.db2.gz YMZFZQHFASTACR-UHFFFAOYSA-N 1 1 379.451 3.047 20 30 GGEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000130051817 1416308662 /nfs/dbraw/zinc/30/86/62/1416308662.db2.gz MLTIGIJULSUFFA-QGZVFWFLSA-N 1 1 398.850 3.315 20 30 GGEDMO CCOC(=O)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000130342033 1416361349 /nfs/dbraw/zinc/36/13/49/1416361349.db2.gz LDQCLIMZYXOQPV-ZDUSSCGKSA-N 1 1 377.872 3.204 20 30 GGEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000130619935 1416411860 /nfs/dbraw/zinc/41/18/60/1416411860.db2.gz PKQNLCPREIVOQZ-LEWJYISDSA-N 1 1 392.503 3.245 20 30 GGEDMO N#Cc1cccc(OCC[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000130820374 1416458952 /nfs/dbraw/zinc/45/89/52/1416458952.db2.gz CUSPOWVYELIKCM-UHFFFAOYSA-N 1 1 383.455 3.179 20 30 GGEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130819973 1416459207 /nfs/dbraw/zinc/45/92/07/1416459207.db2.gz PXNLQJIFPFOJPJ-HXUWFJFHSA-N 1 1 381.432 3.065 20 30 GGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000130826479 1416461248 /nfs/dbraw/zinc/46/12/48/1416461248.db2.gz YTRSXFWAIWXIKO-NRFANRHFSA-N 1 1 376.435 3.101 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCOCC3CC3)sc2C1 ZINC000130886767 1416475900 /nfs/dbraw/zinc/47/59/00/1416475900.db2.gz VRKRUPMMKCUKCA-AWEZNQCLSA-N 1 1 375.538 3.432 20 30 GGEDMO CCOc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000131170025 1416518948 /nfs/dbraw/zinc/51/89/48/1416518948.db2.gz WXYJBFMDPQCGGT-KRWDZBQOSA-N 1 1 395.503 3.444 20 30 GGEDMO COc1cc(C[N@@H+](CC(N)=O)C(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000131205840 1416523628 /nfs/dbraw/zinc/52/36/28/1416523628.db2.gz SDZUTPOZCFITQV-UHFFFAOYSA-N 1 1 381.476 3.232 20 30 GGEDMO C=CCOc1cccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000131305170 1416537408 /nfs/dbraw/zinc/53/74/08/1416537408.db2.gz ODOFYPSVYBXXIK-VQTJNVASSA-N 1 1 381.476 3.008 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131324875 1416540460 /nfs/dbraw/zinc/54/04/60/1416540460.db2.gz JKHHZMKMPMKPAH-QZTJIDSGSA-N 1 1 397.498 3.149 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131329143 1416540674 /nfs/dbraw/zinc/54/06/74/1416540674.db2.gz NVYPYWRRKCKPBV-ZWKOTPCHSA-N 1 1 386.565 3.339 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000178561193 1429106648 /nfs/dbraw/zinc/10/66/48/1429106648.db2.gz FPLUXTDXRFKKBE-INIZCTEOSA-N 1 1 378.476 3.409 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000178561193 1429106655 /nfs/dbraw/zinc/10/66/55/1429106655.db2.gz FPLUXTDXRFKKBE-INIZCTEOSA-N 1 1 378.476 3.409 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131696130 1416598796 /nfs/dbraw/zinc/59/87/96/1416598796.db2.gz PGNLDBVHRGJMBC-JXFKEZNVSA-N 1 1 382.439 3.009 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131696130 1416598803 /nfs/dbraw/zinc/59/88/03/1416598803.db2.gz PGNLDBVHRGJMBC-JXFKEZNVSA-N 1 1 382.439 3.009 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131750174 1416611204 /nfs/dbraw/zinc/61/12/04/1416611204.db2.gz OPNLKRGWEIUNEU-HUUCEWRRSA-N 1 1 391.899 3.056 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1C ZINC000131821957 1416628994 /nfs/dbraw/zinc/62/89/94/1416628994.db2.gz XKJGOMTUCYAUCW-FQEVSTJZSA-N 1 1 399.535 3.068 20 30 GGEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000131874757 1416639443 /nfs/dbraw/zinc/63/94/43/1416639443.db2.gz PVPUQFGMNZYFCJ-RTWAWAEBSA-N 1 1 379.504 3.223 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1Cl ZINC000131887176 1416641735 /nfs/dbraw/zinc/64/17/35/1416641735.db2.gz HXUCJYSQEWFGEN-LJQANCHMSA-N 1 1 398.894 3.443 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1Cl ZINC000131887176 1416641754 /nfs/dbraw/zinc/64/17/54/1416641754.db2.gz HXUCJYSQEWFGEN-LJQANCHMSA-N 1 1 398.894 3.443 20 30 GGEDMO CC(C)C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000178593235 1429115601 /nfs/dbraw/zinc/11/56/01/1429115601.db2.gz QCHQXPLFAQXMST-SFHVURJKSA-N 1 1 398.551 3.476 20 30 GGEDMO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132226462 1416720285 /nfs/dbraw/zinc/72/02/85/1416720285.db2.gz SBGHXIZBCSMBHQ-WIYYLYMNSA-N 1 1 377.488 3.449 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000132234628 1416721548 /nfs/dbraw/zinc/72/15/48/1416721548.db2.gz IGHADWVXJYQZKD-IRXDYDNUSA-N 1 1 388.537 3.124 20 30 GGEDMO COc1cc(NC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000132370492 1416747557 /nfs/dbraw/zinc/74/75/57/1416747557.db2.gz JMPOKRVFXUZXMV-UHFFFAOYSA-N 1 1 394.475 3.090 20 30 GGEDMO O=C(Nc1ccccc1C#Cc1ccccc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000132653810 1416800473 /nfs/dbraw/zinc/80/04/73/1416800473.db2.gz GMRYWIIIDPPIRQ-OAQYLSRUSA-N 1 1 389.499 3.272 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)CC1 ZINC000132733346 1416809434 /nfs/dbraw/zinc/80/94/34/1416809434.db2.gz PJPYAJRKSRMQCH-UHFFFAOYSA-N 1 1 386.883 3.201 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000133216095 1416865850 /nfs/dbraw/zinc/86/58/50/1416865850.db2.gz HYSPFTBNZBXDPF-REWPJTCUSA-N 1 1 393.531 3.089 20 30 GGEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000133216095 1416865851 /nfs/dbraw/zinc/86/58/51/1416865851.db2.gz HYSPFTBNZBXDPF-REWPJTCUSA-N 1 1 393.531 3.089 20 30 GGEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000133216095 1416865854 /nfs/dbraw/zinc/86/58/54/1416865854.db2.gz HYSPFTBNZBXDPF-REWPJTCUSA-N 1 1 393.531 3.089 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000133215896 1416865871 /nfs/dbraw/zinc/86/58/71/1416865871.db2.gz HYSPFTBNZBXDPF-OFNKIYASSA-N 1 1 393.531 3.089 20 30 GGEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000133215896 1416865872 /nfs/dbraw/zinc/86/58/72/1416865872.db2.gz HYSPFTBNZBXDPF-OFNKIYASSA-N 1 1 393.531 3.089 20 30 GGEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000133215896 1416865873 /nfs/dbraw/zinc/86/58/73/1416865873.db2.gz HYSPFTBNZBXDPF-OFNKIYASSA-N 1 1 393.531 3.089 20 30 GGEDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000133425362 1416888572 /nfs/dbraw/zinc/88/85/72/1416888572.db2.gz LCPMZXXRHOQIJF-LJQANCHMSA-N 1 1 384.524 3.295 20 30 GGEDMO CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000133424931 1416888644 /nfs/dbraw/zinc/88/86/44/1416888644.db2.gz BODWXXMIOYCHEY-TZIWHRDSSA-N 1 1 396.535 3.072 20 30 GGEDMO C[N@@H+](CCCNC(=O)CCCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000133635208 1416926177 /nfs/dbraw/zinc/92/61/77/1416926177.db2.gz YCSGDBYFOCMVLU-UHFFFAOYSA-N 1 1 392.503 3.305 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000133803866 1416966562 /nfs/dbraw/zinc/96/65/62/1416966562.db2.gz WIFOPRBMNXBAEY-RDJZCZTQSA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000133803866 1416966566 /nfs/dbraw/zinc/96/65/66/1416966566.db2.gz WIFOPRBMNXBAEY-RDJZCZTQSA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000133803660 1416966873 /nfs/dbraw/zinc/96/68/73/1416966873.db2.gz WIFOPRBMNXBAEY-NVXWUHKLSA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000133803660 1416966881 /nfs/dbraw/zinc/96/68/81/1416966881.db2.gz WIFOPRBMNXBAEY-NVXWUHKLSA-N 1 1 386.496 3.122 20 30 GGEDMO C[N@@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@H](c2ccccc2)C1 ZINC000134001882 1417008269 /nfs/dbraw/zinc/00/82/69/1417008269.db2.gz JZPOTVZKGYMIEJ-NRFANRHFSA-N 1 1 390.487 3.182 20 30 GGEDMO C[N@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@H](c2ccccc2)C1 ZINC000134001882 1417008271 /nfs/dbraw/zinc/00/82/71/1417008271.db2.gz JZPOTVZKGYMIEJ-NRFANRHFSA-N 1 1 390.487 3.182 20 30 GGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000178726713 1429153091 /nfs/dbraw/zinc/15/30/91/1429153091.db2.gz NNGBUWCOMYQWGH-KURKYZTESA-N 1 1 398.551 3.476 20 30 GGEDMO CC(C)(CNC(=O)Cc1cccc(OCC#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000134456531 1417071269 /nfs/dbraw/zinc/07/12/69/1417071269.db2.gz NWZGSTZEVRYQDA-UHFFFAOYSA-N 1 1 377.488 3.085 20 30 GGEDMO CS[C@@H]1CCCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000134557950 1417087187 /nfs/dbraw/zinc/08/71/87/1417087187.db2.gz YQPZKMDXDLOHNJ-QGZVFWFLSA-N 1 1 384.467 3.391 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000134649686 1417105364 /nfs/dbraw/zinc/10/53/64/1417105364.db2.gz JHSFHJBPROQJKN-IRXDYDNUSA-N 1 1 392.544 3.049 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000134649686 1417105366 /nfs/dbraw/zinc/10/53/66/1417105366.db2.gz JHSFHJBPROQJKN-IRXDYDNUSA-N 1 1 392.544 3.049 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000134664461 1417109520 /nfs/dbraw/zinc/10/95/20/1417109520.db2.gz AIPHNKOXCLBBMU-PBHICJAKSA-N 1 1 397.479 3.486 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000134664461 1417109524 /nfs/dbraw/zinc/10/95/24/1417109524.db2.gz AIPHNKOXCLBBMU-PBHICJAKSA-N 1 1 397.479 3.486 20 30 GGEDMO NC(=[NH+]OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2c(c1)CCO2 ZINC000134747528 1417120217 /nfs/dbraw/zinc/12/02/17/1417120217.db2.gz FEIUTMQWXSWGOH-UHFFFAOYSA-N 1 1 380.360 3.022 20 30 GGEDMO C=C(Br)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000178745119 1429159895 /nfs/dbraw/zinc/15/98/95/1429159895.db2.gz AMJUBGVTKVVAQV-ZDUSSCGKSA-N 1 1 375.332 3.276 20 30 GGEDMO CN(C(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000134798023 1417127125 /nfs/dbraw/zinc/12/71/25/1417127125.db2.gz UYCQEVMSMXPURF-UXHICEINSA-N 1 1 387.499 3.398 20 30 GGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134805028 1417129168 /nfs/dbraw/zinc/12/91/68/1417129168.db2.gz CBXUSRJKEPMKOC-XPNTWCBSSA-N 1 1 398.478 3.220 20 30 GGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134876711 1417137965 /nfs/dbraw/zinc/13/79/65/1417137965.db2.gz JSJQOPFTCBUGOF-SPYBWZPUSA-N 1 1 398.576 3.384 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CCN1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)CCC2 ZINC000134888629 1417140094 /nfs/dbraw/zinc/14/00/94/1417140094.db2.gz WRWZQRJGXUHLQN-DNVCBOLYSA-N 1 1 398.576 3.386 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H]3[C@H](CCCN3C3CC3)C1)CCC2 ZINC000134888629 1417140105 /nfs/dbraw/zinc/14/01/05/1417140105.db2.gz WRWZQRJGXUHLQN-DNVCBOLYSA-N 1 1 398.576 3.386 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@@H]3[C@H](CCCN3C3CC3)C1)CCC2 ZINC000134888629 1417140110 /nfs/dbraw/zinc/14/01/10/1417140110.db2.gz WRWZQRJGXUHLQN-DNVCBOLYSA-N 1 1 398.576 3.386 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000134901095 1417141919 /nfs/dbraw/zinc/14/19/19/1417141919.db2.gz YEFDFDVBJQXAII-OFNKIYASSA-N 1 1 394.563 3.499 20 30 GGEDMO C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000134985340 1417156879 /nfs/dbraw/zinc/15/68/79/1417156879.db2.gz NWWGINAFTXCVPH-OXQOHEQNSA-N 1 1 395.528 3.299 20 30 GGEDMO C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000134985340 1417156886 /nfs/dbraw/zinc/15/68/86/1417156886.db2.gz NWWGINAFTXCVPH-OXQOHEQNSA-N 1 1 395.528 3.299 20 30 GGEDMO C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000134985322 1417157107 /nfs/dbraw/zinc/15/71/07/1417157107.db2.gz NWWGINAFTXCVPH-OXJNMPFZSA-N 1 1 395.528 3.299 20 30 GGEDMO C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000134985322 1417157119 /nfs/dbraw/zinc/15/71/19/1417157119.db2.gz NWWGINAFTXCVPH-OXJNMPFZSA-N 1 1 395.528 3.299 20 30 GGEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000135113524 1417172987 /nfs/dbraw/zinc/17/29/87/1417172987.db2.gz QRQMWNPSQXLBLX-UHFFFAOYSA-N 1 1 376.504 3.244 20 30 GGEDMO N#CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000135252436 1417197476 /nfs/dbraw/zinc/19/74/76/1417197476.db2.gz QDIJKCVFJUAABG-SFHVURJKSA-N 1 1 396.466 3.414 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(F)cc1OCC#N ZINC000135285079 1417202704 /nfs/dbraw/zinc/20/27/04/1417202704.db2.gz KVUJDXXRVOABOG-MRXNPFEDSA-N 1 1 382.439 3.466 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(F)cc1OCC#N ZINC000135285079 1417202711 /nfs/dbraw/zinc/20/27/11/1417202711.db2.gz KVUJDXXRVOABOG-MRXNPFEDSA-N 1 1 382.439 3.466 20 30 GGEDMO N#CCOc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000135287862 1417203555 /nfs/dbraw/zinc/20/35/55/1417203555.db2.gz MPRFKGYYOTZLND-UHFFFAOYSA-N 1 1 382.439 3.468 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@H]2CCOC2)c1C#N ZINC000178787321 1429169867 /nfs/dbraw/zinc/16/98/67/1429169867.db2.gz XZZNCIHXKDVRPS-MRXNPFEDSA-N 1 1 384.455 3.012 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)ccc1Cl ZINC000135527355 1417233359 /nfs/dbraw/zinc/23/33/59/1417233359.db2.gz UVOAJMGMCPDFHO-ROUUACIJSA-N 1 1 393.940 3.101 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)ccc1Cl ZINC000135527355 1417233364 /nfs/dbraw/zinc/23/33/64/1417233364.db2.gz UVOAJMGMCPDFHO-ROUUACIJSA-N 1 1 393.940 3.101 20 30 GGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCS[C@H]3COCC[C@@H]32)sc2c1CCCC2 ZINC000135535050 1417234495 /nfs/dbraw/zinc/23/44/95/1417234495.db2.gz PDIGUDYXNPFHMF-RDJZCZTQSA-N 1 1 391.562 3.033 20 30 GGEDMO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C[C@@H]1CCOC1 ZINC000178783616 1429169166 /nfs/dbraw/zinc/16/91/66/1429169166.db2.gz SVNYXDWNOYBVSZ-KRWDZBQOSA-N 1 1 392.503 3.135 20 30 GGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1 ZINC000135720190 1417261881 /nfs/dbraw/zinc/26/18/81/1417261881.db2.gz SISQKCHTXNFENB-OAQYLSRUSA-N 1 1 395.528 3.225 20 30 GGEDMO C=CCNc1ncc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)s1 ZINC000136059420 1417288949 /nfs/dbraw/zinc/28/89/49/1417288949.db2.gz HYAJWJPAXKONKP-INIZCTEOSA-N 1 1 386.521 3.317 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000136656307 1417335960 /nfs/dbraw/zinc/33/59/60/1417335960.db2.gz CPRRRQUYHYNSPG-WMZOPIPTSA-N 1 1 379.426 3.183 20 30 GGEDMO N#Cc1ccc(CC(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000178813849 1429179188 /nfs/dbraw/zinc/17/91/88/1429179188.db2.gz ZFBXTOXSDNUQQM-OAQYLSRUSA-N 1 1 385.471 3.383 20 30 GGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)CCSC)cc1 ZINC000138250547 1417409083 /nfs/dbraw/zinc/40/90/83/1417409083.db2.gz WBKSYJDFAAZMGF-UHFFFAOYSA-N 1 1 386.521 3.208 20 30 GGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)CCSC)cc1 ZINC000138250547 1417409097 /nfs/dbraw/zinc/40/90/97/1417409097.db2.gz WBKSYJDFAAZMGF-UHFFFAOYSA-N 1 1 386.521 3.208 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000138713833 1417435565 /nfs/dbraw/zinc/43/55/65/1417435565.db2.gz BXKPARHKZGDYNL-IBGZPJMESA-N 1 1 386.565 3.272 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000139574889 1417464536 /nfs/dbraw/zinc/46/45/36/1417464536.db2.gz SALHKBYPLQKJMJ-MSOLQXFVSA-N 1 1 382.508 3.068 20 30 GGEDMO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)N1CCc2ccccc21 ZINC000139613581 1417467057 /nfs/dbraw/zinc/46/70/57/1417467057.db2.gz SQTWYVVNADPRSB-IBGZPJMESA-N 1 1 388.515 3.044 20 30 GGEDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)N1CCc2ccccc21 ZINC000139613581 1417467065 /nfs/dbraw/zinc/46/70/65/1417467065.db2.gz SQTWYVVNADPRSB-IBGZPJMESA-N 1 1 388.515 3.044 20 30 GGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C#N ZINC000140053856 1417486717 /nfs/dbraw/zinc/48/67/17/1417486717.db2.gz RSYDGFGYZDVPHT-WIYYLYMNSA-N 1 1 397.567 3.446 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)CC[C@@H]21 ZINC000140081518 1417487404 /nfs/dbraw/zinc/48/74/04/1417487404.db2.gz UDEBQSPFUOTZKV-HAMDTZRPSA-N 1 1 396.535 3.374 20 30 GGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140219305 1417492538 /nfs/dbraw/zinc/49/25/38/1417492538.db2.gz WAHCIYRVHPVEQI-SJLPKXTDSA-N 1 1 383.517 3.415 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000140572010 1417508652 /nfs/dbraw/zinc/50/86/52/1417508652.db2.gz QBUJQJBQABPQKZ-IBGZPJMESA-N 1 1 393.491 3.103 20 30 GGEDMO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000141329841 1417533922 /nfs/dbraw/zinc/53/39/22/1417533922.db2.gz VEFLPHKPKFEGPD-OAQYLSRUSA-N 1 1 375.472 3.448 20 30 GGEDMO C=CCc1cc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c(O)c(OC)c1 ZINC000178858266 1429199578 /nfs/dbraw/zinc/19/95/78/1429199578.db2.gz JDPWDKHMLYAISG-UHFFFAOYSA-N 1 1 380.488 3.016 20 30 GGEDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000144709697 1417670558 /nfs/dbraw/zinc/67/05/58/1417670558.db2.gz ICXIHXHGSDKNRV-ZBFHGGJFSA-N 1 1 390.915 3.167 20 30 GGEDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000144709697 1417670560 /nfs/dbraw/zinc/67/05/60/1417670560.db2.gz ICXIHXHGSDKNRV-ZBFHGGJFSA-N 1 1 390.915 3.167 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000144765821 1417671782 /nfs/dbraw/zinc/67/17/82/1417671782.db2.gz YDBWONRWQYMRRI-LJQANCHMSA-N 1 1 398.532 3.418 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000144765821 1417671785 /nfs/dbraw/zinc/67/17/85/1417671785.db2.gz YDBWONRWQYMRRI-LJQANCHMSA-N 1 1 398.532 3.418 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000151112933 1417874733 /nfs/dbraw/zinc/87/47/33/1417874733.db2.gz HKQQNXUCUMCJKC-FPOVZHCZSA-N 1 1 381.520 3.292 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)NCc2cccc(OCC#N)c2)C[N@H+]1Cc1ccccc1 ZINC000151120503 1417876225 /nfs/dbraw/zinc/87/62/25/1417876225.db2.gz BVNKKHFGGUEVAC-PXNSSMCTSA-N 1 1 378.476 3.051 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000178918531 1429219983 /nfs/dbraw/zinc/21/99/83/1429219983.db2.gz ISLJXCLNNPASDV-LJQANCHMSA-N 1 1 390.405 3.161 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000178918531 1429219996 /nfs/dbraw/zinc/21/99/96/1429219996.db2.gz ISLJXCLNNPASDV-LJQANCHMSA-N 1 1 390.405 3.161 20 30 GGEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000151189148 1417890580 /nfs/dbraw/zinc/89/05/80/1417890580.db2.gz FFBCXMCORDJZHU-LJQANCHMSA-N 1 1 379.508 3.247 20 30 GGEDMO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000178921107 1429220663 /nfs/dbraw/zinc/22/06/63/1429220663.db2.gz XRQUSBXBFFMVQJ-UHFFFAOYSA-N 1 1 378.476 3.231 20 30 GGEDMO NC(=[NH+]OCC(=O)NCc1cccc(OCC(F)(F)F)c1)C1CCCCC1 ZINC000151306163 1417921432 /nfs/dbraw/zinc/92/14/32/1417921432.db2.gz BFIZGSZKGHHHFO-UHFFFAOYSA-N 1 1 387.402 3.113 20 30 GGEDMO CC[C@@H](NC(=O)CCc1ccc(C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151371858 1417939941 /nfs/dbraw/zinc/93/99/41/1417939941.db2.gz VDTMAFVPCHTOHB-DHIUTWEWSA-N 1 1 391.515 3.287 20 30 GGEDMO CC[C@@H](NC(=O)CCc1ccc(C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151371858 1417939948 /nfs/dbraw/zinc/93/99/48/1417939948.db2.gz VDTMAFVPCHTOHB-DHIUTWEWSA-N 1 1 391.515 3.287 20 30 GGEDMO CC(C)(C)C[C@@H](NC(=O)CO[NH+]=C(N)C1CCOCC1)c1ccc(F)cc1 ZINC000151616099 1418041198 /nfs/dbraw/zinc/04/11/98/1418041198.db2.gz UCIUCZYSXBYVFJ-QGZVFWFLSA-N 1 1 379.476 3.135 20 30 GGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CC1(O)CCCC1 ZINC000152005273 1418117865 /nfs/dbraw/zinc/11/78/65/1418117865.db2.gz DPSIPTKIVJCZSX-CQSZACIVSA-N 1 1 375.538 3.453 20 30 GGEDMO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000152054646 1418131775 /nfs/dbraw/zinc/13/17/75/1418131775.db2.gz RTMHCOZQSPVICH-LJQANCHMSA-N 1 1 382.508 3.048 20 30 GGEDMO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000152070405 1418137146 /nfs/dbraw/zinc/13/71/46/1418137146.db2.gz GZACNEDLXSOZGC-IBGZPJMESA-N 1 1 399.466 3.176 20 30 GGEDMO COC(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000179147656 1429277988 /nfs/dbraw/zinc/27/79/88/1429277988.db2.gz HPSRLJBMVGCSHP-CQSZACIVSA-N 1 1 389.521 3.245 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000179197468 1429291898 /nfs/dbraw/zinc/29/18/98/1429291898.db2.gz WBZASMSKUODCLU-INIZCTEOSA-N 1 1 397.306 3.158 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1OCCCC#N ZINC000179344194 1429336288 /nfs/dbraw/zinc/33/62/88/1429336288.db2.gz UEJFXIHHIQZCJH-IBGZPJMESA-N 1 1 385.508 3.116 20 30 GGEDMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1cccc(C#N)c1 ZINC000179389223 1429354510 /nfs/dbraw/zinc/35/45/10/1429354510.db2.gz YTJZGGJRCYAMCG-UHFFFAOYSA-N 1 1 377.492 3.130 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000179470546 1429386259 /nfs/dbraw/zinc/38/62/59/1429386259.db2.gz YYAUBPQQLAKJOH-LEWJYISDSA-N 1 1 393.487 3.142 20 30 GGEDMO Cc1nn(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179544199 1429420552 /nfs/dbraw/zinc/42/05/52/1429420552.db2.gz IOJZSQLDIQJEIX-UHFFFAOYSA-N 1 1 390.447 3.294 20 30 GGEDMO Cc1nn(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000179544199 1429420572 /nfs/dbraw/zinc/42/05/72/1429420572.db2.gz IOJZSQLDIQJEIX-UHFFFAOYSA-N 1 1 390.447 3.294 20 30 GGEDMO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1Cl ZINC000179563185 1429435425 /nfs/dbraw/zinc/43/54/25/1429435425.db2.gz DAALDSQKVKDBDX-IBGZPJMESA-N 1 1 396.878 3.103 20 30 GGEDMO Cc1sc(NC(=O)C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c(C#N)c1C ZINC000179563585 1429435659 /nfs/dbraw/zinc/43/56/59/1429435659.db2.gz TZDRNEMFIZICTO-GOSISDBHSA-N 1 1 396.516 3.128 20 30 GGEDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000152322035 1422072176 /nfs/dbraw/zinc/07/21/76/1422072176.db2.gz VIIIULRLHWEUGP-UHFFFAOYSA-N 1 1 385.439 3.188 20 30 GGEDMO C#CCOc1ccccc1CNc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000152425368 1422099860 /nfs/dbraw/zinc/09/98/60/1422099860.db2.gz LWLVFWDQYUGPIH-UHFFFAOYSA-N 1 1 391.515 3.017 20 30 GGEDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000152575901 1422149778 /nfs/dbraw/zinc/14/97/78/1422149778.db2.gz IJKNRQIOKGFUKW-KKUMJFAQSA-N 1 1 375.538 3.451 20 30 GGEDMO C[C@H](O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000152575901 1422149779 /nfs/dbraw/zinc/14/97/79/1422149779.db2.gz IJKNRQIOKGFUKW-KKUMJFAQSA-N 1 1 375.538 3.451 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1C#N ZINC000152576879 1422150656 /nfs/dbraw/zinc/15/06/56/1422150656.db2.gz ZKHCYDBKHJGVLU-KDOFPFPSSA-N 1 1 398.482 3.279 20 30 GGEDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(=O)/C=C1/N(C)c3ccccc3C1(C)C)CC2 ZINC000152757588 1422238311 /nfs/dbraw/zinc/23/83/11/1422238311.db2.gz SUTWDJLUBQEEKS-QAASUXMZSA-N 1 1 398.547 3.119 20 30 GGEDMO N#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)[nH]1 ZINC000153301260 1422453252 /nfs/dbraw/zinc/45/32/52/1422453252.db2.gz TZGYBMVESOCHTJ-UHFFFAOYSA-N 1 1 376.382 3.253 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153315560 1422463343 /nfs/dbraw/zinc/46/33/43/1422463343.db2.gz YAIDVHXHUGYDTQ-FQEVSTJZSA-N 1 1 381.432 3.065 20 30 GGEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153315676 1422463912 /nfs/dbraw/zinc/46/39/12/1422463912.db2.gz YAIDVHXHUGYDTQ-HXUWFJFHSA-N 1 1 381.432 3.065 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153341030 1422479398 /nfs/dbraw/zinc/47/93/98/1422479398.db2.gz KWVSKNHAWAVJTI-JTQLQIEISA-N 1 1 395.294 3.062 20 30 GGEDMO COc1cc(/C=C/C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1OCC#N ZINC000153376445 1422505069 /nfs/dbraw/zinc/50/50/69/1422505069.db2.gz WLBLKFXDYHCVMZ-BYFYMVKISA-N 1 1 395.503 3.086 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ncccc3C(F)(F)F)CC2)cc1 ZINC000179788848 1429564417 /nfs/dbraw/zinc/56/44/17/1429564417.db2.gz JNFODHSOJFPDAW-UHFFFAOYSA-N 1 1 388.393 3.320 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ncccc3C(F)(F)F)CC2)cc1 ZINC000179788848 1429564431 /nfs/dbraw/zinc/56/44/31/1429564431.db2.gz JNFODHSOJFPDAW-UHFFFAOYSA-N 1 1 388.393 3.320 20 30 GGEDMO N#Cc1ccccc1S(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000153523302 1422584556 /nfs/dbraw/zinc/58/45/56/1422584556.db2.gz ZIZRHNDBCTVLHH-UHFFFAOYSA-N 1 1 389.908 3.155 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153598401 1422639171 /nfs/dbraw/zinc/63/91/71/1422639171.db2.gz LDDFYPVRCIZNEJ-QHCPKHFHSA-N 1 1 392.503 3.076 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153598401 1422639188 /nfs/dbraw/zinc/63/91/88/1422639188.db2.gz LDDFYPVRCIZNEJ-QHCPKHFHSA-N 1 1 392.503 3.076 20 30 GGEDMO COC(=O)[C@H](C)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000153753168 1422737421 /nfs/dbraw/zinc/73/74/21/1422737421.db2.gz PSADPLYMYRQFJF-CYBMUJFWSA-N 1 1 389.521 3.101 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000154002143 1422824004 /nfs/dbraw/zinc/82/40/04/1422824004.db2.gz UHGUBZKCDAMIMU-JKSUJKDBSA-N 1 1 376.526 3.171 20 30 GGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000154098222 1422840104 /nfs/dbraw/zinc/84/01/04/1422840104.db2.gz UYLORPKABMAEMO-IBGZPJMESA-N 1 1 384.524 3.294 20 30 GGEDMO Cc1cc(NC(=O)CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)n(C(C)(C)C)n1 ZINC000154477782 1422894225 /nfs/dbraw/zinc/89/42/25/1422894225.db2.gz DBEVTIBTYHFGBU-UHFFFAOYSA-N 1 1 387.528 3.390 20 30 GGEDMO Cc1oc(NC(=O)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c(C#N)c1C ZINC000154612432 1422962415 /nfs/dbraw/zinc/96/24/15/1422962415.db2.gz ZSKBRZAWNSHSSR-FQEVSTJZSA-N 1 1 381.476 3.469 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154766311 1423025785 /nfs/dbraw/zinc/02/57/85/1423025785.db2.gz HDNYURWEOVUIDG-PZJWPPBQSA-N 1 1 385.533 3.338 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154766311 1423025796 /nfs/dbraw/zinc/02/57/96/1423025796.db2.gz HDNYURWEOVUIDG-PZJWPPBQSA-N 1 1 385.533 3.338 20 30 GGEDMO COc1ccc(OCC[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000179887352 1429625452 /nfs/dbraw/zinc/62/54/52/1429625452.db2.gz SWFCJUWMFUTIAZ-UHFFFAOYSA-N 1 1 376.460 3.478 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1C#N ZINC000155486630 1423383305 /nfs/dbraw/zinc/38/33/05/1423383305.db2.gz XXFODWRUHLUBNV-YLJYHZDGSA-N 1 1 396.491 3.057 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1C#N ZINC000155486630 1423383315 /nfs/dbraw/zinc/38/33/15/1423383315.db2.gz XXFODWRUHLUBNV-YLJYHZDGSA-N 1 1 396.491 3.057 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1 ZINC000155493080 1423385209 /nfs/dbraw/zinc/38/52/09/1423385209.db2.gz NVKRPEHAZCELQU-UHFFFAOYSA-N 1 1 386.540 3.081 20 30 GGEDMO CC(C)(C)OC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000179918759 1429640764 /nfs/dbraw/zinc/64/07/64/1429640764.db2.gz HQGMDXXVIIUHGS-UHFFFAOYSA-N 1 1 378.476 3.231 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000155720632 1423503355 /nfs/dbraw/zinc/50/33/55/1423503355.db2.gz UPBQHTVBFVBZTB-AWEZNQCLSA-N 1 1 391.397 3.000 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000155720632 1423503366 /nfs/dbraw/zinc/50/33/66/1423503366.db2.gz UPBQHTVBFVBZTB-AWEZNQCLSA-N 1 1 391.397 3.000 20 30 GGEDMO N#Cc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1Cl ZINC000155721427 1423504448 /nfs/dbraw/zinc/50/44/48/1423504448.db2.gz BRWBTULNKCUMOY-QGZVFWFLSA-N 1 1 396.878 3.161 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1Cl ZINC000155802577 1423540842 /nfs/dbraw/zinc/54/08/42/1423540842.db2.gz QLQMLXWNGZKKKO-HNNXBMFYSA-N 1 1 394.866 3.072 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1Cl ZINC000155802577 1423540850 /nfs/dbraw/zinc/54/08/50/1423540850.db2.gz QLQMLXWNGZKKKO-HNNXBMFYSA-N 1 1 394.866 3.072 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1Cl ZINC000155802461 1423541471 /nfs/dbraw/zinc/54/14/71/1423541471.db2.gz QLQMLXWNGZKKKO-OAHLLOKOSA-N 1 1 394.866 3.072 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1Cl ZINC000155802461 1423541482 /nfs/dbraw/zinc/54/14/82/1423541482.db2.gz QLQMLXWNGZKKKO-OAHLLOKOSA-N 1 1 394.866 3.072 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1Cl ZINC000155922986 1423595693 /nfs/dbraw/zinc/59/56/93/1423595693.db2.gz MAMYQMYHOOLGAJ-HXUWFJFHSA-N 1 1 383.879 3.423 20 30 GGEDMO Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c(C#N)c1C ZINC000155979358 1423618229 /nfs/dbraw/zinc/61/82/29/1423618229.db2.gz KMMAARRAHZRBKP-LJQANCHMSA-N 1 1 383.517 3.448 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000156022146 1423637437 /nfs/dbraw/zinc/63/74/37/1423637437.db2.gz QWQHUWPIDXRKQW-DYESRHJHSA-N 1 1 397.519 3.055 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC3CCOCC3)sc2C1 ZINC000156163393 1423701819 /nfs/dbraw/zinc/70/18/19/1423701819.db2.gz KOVARMSTJQZTQU-CQSZACIVSA-N 1 1 375.538 3.432 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)C2CCC(CO)CC2)c1C#N ZINC000156270508 1423752049 /nfs/dbraw/zinc/75/20/49/1423752049.db2.gz GIMGDERJNUFRAT-UHFFFAOYSA-N 1 1 394.519 3.387 20 30 GGEDMO CCOC(=O)COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000156485777 1423817050 /nfs/dbraw/zinc/81/70/50/1423817050.db2.gz MRJWFHWHFRCAEL-JOCHJYFZSA-N 1 1 393.487 3.011 20 30 GGEDMO Cn1cc(C[N@H+]2CCCN(c3nccs3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179984624 1429674750 /nfs/dbraw/zinc/67/47/50/1429674750.db2.gz QHRKLXQODKTNIS-UHFFFAOYSA-N 1 1 378.505 3.128 20 30 GGEDMO CC(C)[C@H](CC[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000156653599 1423841758 /nfs/dbraw/zinc/84/17/58/1423841758.db2.gz HPASJDSRBPVADK-OALUTQOASA-N 1 1 375.513 3.463 20 30 GGEDMO N#Cc1cccc(OCCC[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000156668248 1423844610 /nfs/dbraw/zinc/84/46/10/1423844610.db2.gz BMKRWSQFABAIRH-UHFFFAOYSA-N 1 1 391.515 3.494 20 30 GGEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)ccc1O ZINC000156846618 1423874747 /nfs/dbraw/zinc/87/47/47/1423874747.db2.gz HYEBYWWRUXDBQI-KRWDZBQOSA-N 1 1 381.476 3.476 20 30 GGEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)ccc1O ZINC000156846618 1423874750 /nfs/dbraw/zinc/87/47/50/1423874750.db2.gz HYEBYWWRUXDBQI-KRWDZBQOSA-N 1 1 381.476 3.476 20 30 GGEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1O ZINC000156918387 1423885871 /nfs/dbraw/zinc/88/58/71/1423885871.db2.gz GYRGFFPBZAOTRO-HNNXBMFYSA-N 1 1 385.439 3.307 20 30 GGEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)ccc1O ZINC000156918387 1423885874 /nfs/dbraw/zinc/88/58/74/1423885874.db2.gz GYRGFFPBZAOTRO-HNNXBMFYSA-N 1 1 385.439 3.307 20 30 GGEDMO C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000156921089 1423885942 /nfs/dbraw/zinc/88/59/42/1423885942.db2.gz LEDDAXIMSVXUJK-VBKZILBWSA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000156921089 1423885947 /nfs/dbraw/zinc/88/59/47/1423885947.db2.gz LEDDAXIMSVXUJK-VBKZILBWSA-N 1 1 399.878 3.453 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000156997332 1423899423 /nfs/dbraw/zinc/89/94/23/1423899423.db2.gz HGYBOMXUSNPIEF-SJORKVTESA-N 1 1 377.916 3.439 20 30 GGEDMO C#CCCOc1ccc(CNc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000157133413 1423933407 /nfs/dbraw/zinc/93/34/07/1423933407.db2.gz AYJCOYMGVJOINJ-UHFFFAOYSA-N 1 1 391.515 3.017 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3nc(C4CC4)cs3)CC2)cc1 ZINC000157176209 1423945801 /nfs/dbraw/zinc/94/58/01/1423945801.db2.gz RXADNVAQAMHMHR-UHFFFAOYSA-N 1 1 395.532 3.310 20 30 GGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000157320893 1423983994 /nfs/dbraw/zinc/98/39/94/1423983994.db2.gz YHABEIQFQXWWIV-JOCHJYFZSA-N 1 1 392.522 3.106 20 30 GGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000157320893 1423984000 /nfs/dbraw/zinc/98/40/00/1423984000.db2.gz YHABEIQFQXWWIV-JOCHJYFZSA-N 1 1 392.522 3.106 20 30 GGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000157479828 1424019586 /nfs/dbraw/zinc/01/95/86/1424019586.db2.gz RODZCRNZUUONTO-UHFFFAOYSA-N 1 1 376.504 3.341 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180015407 1429692354 /nfs/dbraw/zinc/69/23/54/1429692354.db2.gz UFIPWQXQZDSMIO-SFHVURJKSA-N 1 1 381.480 3.058 20 30 GGEDMO Cc1cccc(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C#N ZINC000157560341 1424038105 /nfs/dbraw/zinc/03/81/05/1424038105.db2.gz GSGORUZRVQHOPQ-ROUUACIJSA-N 1 1 375.538 3.142 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180017356 1429694675 /nfs/dbraw/zinc/69/46/75/1429694675.db2.gz CQFQLRVRPADQJM-SFHVURJKSA-N 1 1 379.508 3.087 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157706383 1424069769 /nfs/dbraw/zinc/06/97/69/1424069769.db2.gz CHJIIHWVDXAPIM-SFHVURJKSA-N 1 1 396.535 3.308 20 30 GGEDMO C#Cc1cccc(NC(=O)C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000157714348 1424071819 /nfs/dbraw/zinc/07/18/19/1424071819.db2.gz MCRGIBCQBOOLDZ-GOSISDBHSA-N 1 1 381.520 3.110 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000157726433 1424075110 /nfs/dbraw/zinc/07/51/10/1424075110.db2.gz LODXRHYRVSFZSH-SFHVURJKSA-N 1 1 382.504 3.270 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000180022799 1429699107 /nfs/dbraw/zinc/69/91/07/1429699107.db2.gz PGQFIOLFVONMFZ-KRWDZBQOSA-N 1 1 394.475 3.131 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000180024448 1429699931 /nfs/dbraw/zinc/69/99/31/1429699931.db2.gz IXSJRCIWYHYVPT-SFHVURJKSA-N 1 1 378.476 3.370 20 30 GGEDMO C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000157972588 1424132180 /nfs/dbraw/zinc/13/21/80/1424132180.db2.gz ZIPAJTJAKMJZFN-XOBRGWDASA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157972588 1424132187 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375.538 3.453 20 30 GGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000163016784 1424923681 /nfs/dbraw/zinc/92/36/81/1424923681.db2.gz VONQPIWVFUQNQG-NRFANRHFSA-N 1 1 391.515 3.396 20 30 GGEDMO C=CCc1cc(C[NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)c(O)c(OC)c1 ZINC000163911795 1425056850 /nfs/dbraw/zinc/05/68/50/1425056850.db2.gz ROGLXKKNOADROT-UHFFFAOYSA-N 1 1 396.487 3.096 20 30 GGEDMO C=CCc1cc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)c(O)c(OC)c1 ZINC000164216243 1425088404 /nfs/dbraw/zinc/08/84/04/1425088404.db2.gz HCQUIPUXBHKGJU-UHFFFAOYSA-N 1 1 398.478 3.155 20 30 GGEDMO COc1cccc(OCC[NH+]2CCN(CC#Cc3ccc(Cl)cc3)CC2)c1 ZINC000164445785 1425113666 /nfs/dbraw/zinc/11/36/66/1425113666.db2.gz PKXFERNMLANARS-UHFFFAOYSA-N 1 1 384.907 3.397 20 30 GGEDMO C=CCn1c(-c2ccncc2)nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1=S ZINC000164659391 1425132670 /nfs/dbraw/zinc/13/26/70/1425132670.db2.gz GBFUFKVXRIDQNL-ROUUACIJSA-N 1 1 384.553 3.036 20 30 GGEDMO 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ZINC000173338020 1426518279 /nfs/dbraw/zinc/51/82/79/1426518279.db2.gz QQGCASMYELEMIS-PKOBYXMFSA-N 1 1 380.496 3.314 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1SCC#N ZINC000173378622 1426551384 /nfs/dbraw/zinc/55/13/84/1426551384.db2.gz ANSAKEOSRVCXJV-GOSISDBHSA-N 1 1 394.544 3.447 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000173447277 1426626895 /nfs/dbraw/zinc/62/68/95/1426626895.db2.gz ZGNXLFAUSMRXMJ-IBGZPJMESA-N 1 1 396.535 3.046 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000173447353 1426627277 /nfs/dbraw/zinc/62/72/77/1426627277.db2.gz WSASTBQXTNJGCZ-UHFFFAOYSA-N 1 1 398.470 3.188 20 30 GGEDMO COc1ccc(N2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000173553278 1426726134 /nfs/dbraw/zinc/72/61/34/1426726134.db2.gz HALNLWKVZKGMMT-UHFFFAOYSA-N 1 1 389.459 3.329 20 30 GGEDMO COc1ccc(N2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000173553278 1426726142 /nfs/dbraw/zinc/72/61/42/1426726142.db2.gz HALNLWKVZKGMMT-UHFFFAOYSA-N 1 1 389.459 3.329 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173591104 1426755065 /nfs/dbraw/zinc/75/50/65/1426755065.db2.gz KOPSRZAZJCGYOF-MAUKXSAKSA-N 1 1 381.480 3.125 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173591104 1426755073 /nfs/dbraw/zinc/75/50/73/1426755073.db2.gz KOPSRZAZJCGYOF-MAUKXSAKSA-N 1 1 381.480 3.125 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173699604 1426824588 /nfs/dbraw/zinc/82/45/88/1426824588.db2.gz KJYGWKURWCBGEO-FQEVSTJZSA-N 1 1 393.487 3.069 20 30 GGEDMO CN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173704526 1426826739 /nfs/dbraw/zinc/82/67/39/1426826739.db2.gz FGSNMGVHLWNCCK-NRFANRHFSA-N 1 1 377.488 3.254 20 30 GGEDMO C[C@H]([NH2+]CC=CC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000824585807 1426836844 /nfs/dbraw/zinc/83/68/44/1426836844.db2.gz UJOPCBNDIIYSLZ-RYTMFUSVSA-N 1 1 387.491 3.296 20 30 GGEDMO C[N@@H+](CCc1cccs1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000173754004 1426840649 /nfs/dbraw/zinc/84/06/49/1426840649.db2.gz FTAWHLMASAHTQA-UHFFFAOYSA-N 1 1 380.435 3.409 20 30 GGEDMO C[C@H](CCc1cccn1C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000173826742 1426861902 /nfs/dbraw/zinc/86/19/02/1426861902.db2.gz DTXXOOYESMRWBA-LJQANCHMSA-N 1 1 393.535 3.135 20 30 GGEDMO Cc1nc(C(C)(C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)sc1C ZINC000173961244 1426911275 /nfs/dbraw/zinc/91/12/75/1426911275.db2.gz MDFKSPNLHKWUIY-UHFFFAOYSA-N 1 1 394.504 3.281 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978679 1426922366 /nfs/dbraw/zinc/92/23/66/1426922366.db2.gz KKVUAEHRYWALKN-FYYLOGMGSA-N 1 1 388.515 3.117 20 30 GGEDMO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000174088616 1426996217 /nfs/dbraw/zinc/99/62/17/1426996217.db2.gz RCECONKELVJRHO-BETUJISGSA-N 1 1 384.402 3.198 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCOC2)c1C#N ZINC000174141480 1427019134 /nfs/dbraw/zinc/01/91/34/1427019134.db2.gz DZUWDSVRTVLXGI-SFHVURJKSA-N 1 1 380.492 3.263 20 30 GGEDMO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174194514 1427044119 /nfs/dbraw/zinc/04/41/19/1427044119.db2.gz WASCVKIWCHCPRC-GOSISDBHSA-N 1 1 375.472 3.020 20 30 GGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174196291 1427044904 /nfs/dbraw/zinc/04/49/04/1427044904.db2.gz JYTYKZDVTVPRIK-OAHLLOKOSA-N 1 1 398.425 3.065 20 30 GGEDMO CN(C(=O)NCc1ccc(OCC#N)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174235167 1427062971 /nfs/dbraw/zinc/06/29/71/1427062971.db2.gz RRBPKZXAUKRYGJ-NRFANRHFSA-N 1 1 392.503 3.395 20 30 GGEDMO COc1ccc(C[NH2+]CCCN2CCN(C)C[C@H]2c2ccccc2)cc1C#N ZINC000174264472 1427074890 /nfs/dbraw/zinc/07/48/90/1427074890.db2.gz MAVDDTZFWOLTBI-QFIPXVFZSA-N 1 1 378.520 3.035 20 30 GGEDMO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cc(Br)ccc1O ZINC000174423696 1427151017 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YFWFRZVZUOWBQK-UHFFFAOYSA-N 1 1 386.471 3.071 20 30 GGEDMO CCc1nnc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C#N)c1CC ZINC000181135237 1430221699 /nfs/dbraw/zinc/22/16/99/1430221699.db2.gz RUKFBUKJEOGACF-GOSISDBHSA-N 1 1 379.508 3.042 20 30 GGEDMO N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c[nH]1 ZINC000181215830 1430249850 /nfs/dbraw/zinc/24/98/50/1430249850.db2.gz LIINMEWEUJYMCB-IBGZPJMESA-N 1 1 376.485 3.477 20 30 GGEDMO N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c[nH]1 ZINC000181215830 1430249852 /nfs/dbraw/zinc/24/98/52/1430249852.db2.gz LIINMEWEUJYMCB-IBGZPJMESA-N 1 1 376.485 3.477 20 30 GGEDMO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(F)c(F)c1 ZINC000181427578 1430296336 /nfs/dbraw/zinc/29/63/36/1430296336.db2.gz NWKNDYIYAWBWAA-KRWDZBQOSA-N 1 1 379.794 3.406 20 30 GGEDMO COC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000181437333 1430299067 /nfs/dbraw/zinc/29/90/67/1430299067.db2.gz XSEQDQFHBFDJBC-KRWDZBQOSA-N 1 1 379.794 3.406 20 30 GGEDMO C[C@H]([NH2+]CCCN1CCN(Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181478451 1430307652 /nfs/dbraw/zinc/30/76/52/1430307652.db2.gz XDDGZAUBLFEVON-NRFANRHFSA-N 1 1 392.547 3.447 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)ccc1Cl ZINC000181485218 1430308726 /nfs/dbraw/zinc/30/87/26/1430308726.db2.gz DLBVKEOQSSCOSS-APWZRJJASA-N 1 1 377.916 3.378 20 30 GGEDMO N#CC1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCOCC1 ZINC000181494011 1430310057 /nfs/dbraw/zinc/31/00/57/1430310057.db2.gz JWUTZBVUOQVLBY-UHFFFAOYSA-N 1 1 396.318 3.394 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](Cc3ccccc3)C1)CCC2 ZINC000181534153 1430316696 /nfs/dbraw/zinc/31/66/96/1430316696.db2.gz XNWKLMYTKQBIJK-KRWDZBQOSA-N 1 1 395.528 3.381 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](Cc3ccccc3)C1)CCC2 ZINC000181534153 1430316698 /nfs/dbraw/zinc/31/66/98/1430316698.db2.gz XNWKLMYTKQBIJK-KRWDZBQOSA-N 1 1 395.528 3.381 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1F ZINC000181585656 1430323881 /nfs/dbraw/zinc/32/38/81/1430323881.db2.gz ZXZMPRKEMHUMMQ-CYBMUJFWSA-N 1 1 381.386 3.311 20 30 GGEDMO Cc1csc([C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2CC2)n1 ZINC000181600999 1430325930 /nfs/dbraw/zinc/32/59/30/1430325930.db2.gz ALPYBOTWVBCZDW-GOSISDBHSA-N 1 1 392.488 3.188 20 30 GGEDMO CCOc1ccc(NC(=O)CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181605463 1430326741 /nfs/dbraw/zinc/32/67/41/1430326741.db2.gz GALZAAWQXOANPE-UHFFFAOYSA-N 1 1 392.503 3.150 20 30 GGEDMO N#Cc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000181621454 1430329395 /nfs/dbraw/zinc/32/93/95/1430329395.db2.gz USSODCHBMIBWKW-SFHVURJKSA-N 1 1 384.867 3.100 20 30 GGEDMO CC(C)C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000181943651 1430386486 /nfs/dbraw/zinc/38/64/86/1430386486.db2.gz UUWXFEAUVHSVDQ-XJKSGUPXSA-N 1 1 381.440 3.023 20 30 GGEDMO C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000181981092 1430391462 /nfs/dbraw/zinc/39/14/62/1430391462.db2.gz AOCJBZZQGLXNEP-KRWDZBQOSA-N 1 1 379.460 3.049 20 30 GGEDMO C[N@@H+](CCCO)C1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000182006354 1430395104 /nfs/dbraw/zinc/39/51/04/1430395104.db2.gz VPMBXZRRELFPCG-UHFFFAOYSA-N 1 1 391.515 3.397 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(NCc3cccc4c3OCCCO4)CC2)cc1 ZINC000182039529 1430400142 /nfs/dbraw/zinc/40/01/42/1430400142.db2.gz PLFQHFXSGIUWHY-UHFFFAOYSA-N 1 1 377.488 3.474 20 30 GGEDMO COc1cc(/C=C/C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)ccc1OCC#N ZINC000182073223 1430406338 /nfs/dbraw/zinc/40/63/38/1430406338.db2.gz RDWQGQFJKAICAY-KSEUIEODSA-N 1 1 393.487 3.247 20 30 GGEDMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000182199848 1430428872 /nfs/dbraw/zinc/42/88/72/1430428872.db2.gz JUMUASAMHWCFGQ-UHFFFAOYSA-N 1 1 390.443 3.241 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182229075 1430433689 /nfs/dbraw/zinc/43/36/89/1430433689.db2.gz SYLZSFCZVUGZHN-KRWDZBQOSA-N 1 1 386.458 3.113 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182229075 1430433691 /nfs/dbraw/zinc/43/36/91/1430433691.db2.gz SYLZSFCZVUGZHN-KRWDZBQOSA-N 1 1 386.458 3.113 20 30 GGEDMO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1cccs1 ZINC000182619114 1430503784 /nfs/dbraw/zinc/50/37/84/1430503784.db2.gz UZINHZPWLJRYAX-QGZVFWFLSA-N 1 1 388.562 3.041 20 30 GGEDMO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1cccs1 ZINC000182619114 1430503789 /nfs/dbraw/zinc/50/37/89/1430503789.db2.gz UZINHZPWLJRYAX-QGZVFWFLSA-N 1 1 388.562 3.041 20 30 GGEDMO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCc2ccccc21 ZINC000182625179 1430504672 /nfs/dbraw/zinc/50/46/72/1430504672.db2.gz BQLKKKBXNWTLRG-WOJBJXKFSA-N 1 1 394.544 3.076 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCCN(c4ccccc4C#N)CC3)C2=O)cc1 ZINC000182654630 1430511076 /nfs/dbraw/zinc/51/10/76/1430511076.db2.gz SXMHETRLGMIXGA-HSZRJFAPSA-N 1 1 399.498 3.138 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC2)nc1 ZINC000182698494 1430520599 /nfs/dbraw/zinc/52/05/99/1430520599.db2.gz ZLQMIFHXCGZNNI-UHFFFAOYSA-N 1 1 398.894 3.133 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(cccc3OC)C2)c(OC)c1 ZINC000182715953 1430525481 /nfs/dbraw/zinc/52/54/81/1430525481.db2.gz ZXNDQLPFHZYXLR-IBGZPJMESA-N 1 1 383.488 3.230 20 30 GGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182770099 1430537038 /nfs/dbraw/zinc/53/70/38/1430537038.db2.gz PLPNAYQTGMDAOT-XLIONFOSSA-N 1 1 394.544 3.076 20 30 GGEDMO N#CCc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182880708 1430560957 /nfs/dbraw/zinc/56/09/57/1430560957.db2.gz AQZIUQOTHJUHHN-OAQYLSRUSA-N 1 1 378.476 3.031 20 30 GGEDMO N#Cc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000182882030 1430561277 /nfs/dbraw/zinc/56/12/77/1430561277.db2.gz JTTXICUQFXUXJZ-IBGZPJMESA-N 1 1 398.894 3.490 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182890907 1430563727 /nfs/dbraw/zinc/56/37/27/1430563727.db2.gz YESXBJMHVOSCER-WIYYLYMNSA-N 1 1 398.551 3.369 20 30 GGEDMO C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182892672 1430563911 /nfs/dbraw/zinc/56/39/11/1430563911.db2.gz UOOUDGAORYEVPK-NRFANRHFSA-N 1 1 397.494 3.290 20 30 GGEDMO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182899432 1430566051 /nfs/dbraw/zinc/56/60/51/1430566051.db2.gz ZTTRWQFJMOSODC-QFIPXVFZSA-N 1 1 379.504 3.151 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182921728 1430572028 /nfs/dbraw/zinc/57/20/28/1430572028.db2.gz CNDWPGCSXVWNNJ-AEFFLSMTSA-N 1 1 384.524 3.377 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182921709 1430572056 /nfs/dbraw/zinc/57/20/56/1430572056.db2.gz CNDWPGCSXVWNNJ-WMZOPIPTSA-N 1 1 384.524 3.377 20 30 GGEDMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(OCC#N)cc1 ZINC000183013013 1430592478 /nfs/dbraw/zinc/59/24/78/1430592478.db2.gz VHISMZPHMYLRQY-IIBYNOLFSA-N 1 1 378.476 3.212 20 30 GGEDMO C[C@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000183090974 1430610728 /nfs/dbraw/zinc/61/07/28/1430610728.db2.gz MOJHJFIEKZULSN-ZXOPWPEBSA-N 1 1 389.908 3.248 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1C ZINC000183104489 1430614222 /nfs/dbraw/zinc/61/42/22/1430614222.db2.gz MKFAYTHMCZHEPL-KMRXNPHXSA-N 1 1 397.544 3.260 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1C ZINC000183104528 1430614275 /nfs/dbraw/zinc/61/42/75/1430614275.db2.gz MKFAYTHMCZHEPL-RBTNQOKQSA-N 1 1 397.544 3.260 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1C ZINC000183104507 1430614350 /nfs/dbraw/zinc/61/43/50/1430614350.db2.gz MKFAYTHMCZHEPL-PIKZIKFNSA-N 1 1 397.544 3.260 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000183111588 1430616686 /nfs/dbraw/zinc/61/66/86/1430616686.db2.gz CSWYJDZKYTZVTQ-LYZGTLIUSA-N 1 1 397.544 3.260 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000183111522 1430616961 /nfs/dbraw/zinc/61/69/61/1430616961.db2.gz CSWYJDZKYTZVTQ-KMRXNPHXSA-N 1 1 397.544 3.260 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1C ZINC000183157396 1430632154 /nfs/dbraw/zinc/63/21/54/1430632154.db2.gz RBZCWIJIVAEALP-NGOKVRLYSA-N 1 1 397.544 3.260 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183171058 1430637874 /nfs/dbraw/zinc/63/78/74/1430637874.db2.gz KKIRTTLNVUUOLW-WJBUYEAWSA-N 1 1 397.544 3.340 20 30 GGEDMO CC1([C@@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)OCCO1 ZINC000183243321 1430658256 /nfs/dbraw/zinc/65/82/56/1430658256.db2.gz HLUKRTKGQDSECI-HXUWFJFHSA-N 1 1 380.492 3.439 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183747336 1430785950 /nfs/dbraw/zinc/78/59/50/1430785950.db2.gz DEIBMQSHYCYZGY-OAQYLSRUSA-N 1 1 376.504 3.483 20 30 GGEDMO CCN(CCC(=O)Nc1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183747336 1430785953 /nfs/dbraw/zinc/78/59/53/1430785953.db2.gz DEIBMQSHYCYZGY-OAQYLSRUSA-N 1 1 376.504 3.483 20 30 GGEDMO CCN(CCC(=O)Nc1ccccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183747336 1430785957 /nfs/dbraw/zinc/78/59/57/1430785957.db2.gz DEIBMQSHYCYZGY-OAQYLSRUSA-N 1 1 376.504 3.483 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(N[C@H](CC(N)=O)c3cccc(Cl)c3)CC2)cc1 ZINC000183966975 1430819845 /nfs/dbraw/zinc/81/98/45/1430819845.db2.gz RGHCBSSQOCPLSX-OAQYLSRUSA-N 1 1 396.922 3.382 20 30 GGEDMO C[C@H](C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nccs1 ZINC000184003692 1430827419 /nfs/dbraw/zinc/82/74/19/1430827419.db2.gz CGXMESWWUFIPJI-CQSZACIVSA-N 1 1 395.450 3.365 20 30 GGEDMO C[C@H](C[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nccs1 ZINC000184003692 1430827420 /nfs/dbraw/zinc/82/74/20/1430827420.db2.gz CGXMESWWUFIPJI-CQSZACIVSA-N 1 1 395.450 3.365 20 30 GGEDMO C[C@@H](C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nccs1 ZINC000184003672 1430827484 /nfs/dbraw/zinc/82/74/84/1430827484.db2.gz CGXMESWWUFIPJI-AWEZNQCLSA-N 1 1 395.450 3.365 20 30 GGEDMO C[C@@H](C[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1nccs1 ZINC000184003672 1430827486 /nfs/dbraw/zinc/82/74/86/1430827486.db2.gz CGXMESWWUFIPJI-AWEZNQCLSA-N 1 1 395.450 3.365 20 30 GGEDMO CCSCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000184036555 1430832453 /nfs/dbraw/zinc/83/24/53/1430832453.db2.gz SVCCVTQGROYCBW-UHFFFAOYSA-N 1 1 384.505 3.147 20 30 GGEDMO CCSCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000184036555 1430832455 /nfs/dbraw/zinc/83/24/55/1430832455.db2.gz SVCCVTQGROYCBW-UHFFFAOYSA-N 1 1 384.505 3.147 20 30 GGEDMO CC(C)(C)OCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000184036286 1430832533 /nfs/dbraw/zinc/83/25/33/1430832533.db2.gz SVGRXUGEHDJELN-UHFFFAOYSA-N 1 1 396.491 3.209 20 30 GGEDMO CC(C)(C)OCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000184036286 1430832536 /nfs/dbraw/zinc/83/25/36/1430832536.db2.gz SVGRXUGEHDJELN-UHFFFAOYSA-N 1 1 396.491 3.209 20 30 GGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184299574 1430870591 /nfs/dbraw/zinc/87/05/91/1430870591.db2.gz OVXQHLVASWLVQN-HNNXBMFYSA-N 1 1 399.457 3.026 20 30 GGEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000184321566 1430873050 /nfs/dbraw/zinc/87/30/50/1430873050.db2.gz HNSUYOJEJFQHDW-DLBZAZTESA-N 1 1 389.569 3.086 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)[C@H](C)C1 ZINC000184330890 1430874023 /nfs/dbraw/zinc/87/40/23/1430874023.db2.gz BMELENCQHIHDSY-SQNIBIBYSA-N 1 1 388.512 3.236 20 30 GGEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000184332642 1430874196 /nfs/dbraw/zinc/87/41/96/1430874196.db2.gz NCBLGJYSIYDBNQ-KRWDZBQOSA-N 1 1 397.422 3.158 20 30 GGEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000184331982 1430874204 /nfs/dbraw/zinc/87/42/04/1430874204.db2.gz VOCYGQMJTKKWRW-KRWDZBQOSA-N 1 1 397.422 3.158 20 30 GGEDMO COc1cc(CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc(OC)c1OC ZINC000184342642 1430875469 /nfs/dbraw/zinc/87/54/69/1430875469.db2.gz UDFYFJSEZBXMPA-QGZVFWFLSA-N 1 1 395.503 3.463 20 30 GGEDMO CC#CCCCC(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000184353663 1430877076 /nfs/dbraw/zinc/87/70/76/1430877076.db2.gz JAJIWTDLNGFGIX-UHFFFAOYSA-N 1 1 394.519 3.315 20 30 GGEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000184450609 1430889184 /nfs/dbraw/zinc/88/91/84/1430889184.db2.gz NNFDQNSRTONOMJ-UYAOXDASSA-N 1 1 383.492 3.107 20 30 GGEDMO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000184450609 1430889187 /nfs/dbraw/zinc/88/91/87/1430889187.db2.gz NNFDQNSRTONOMJ-UYAOXDASSA-N 1 1 383.492 3.107 20 30 GGEDMO Cc1cnc([C@@H](C)CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000184459890 1430890098 /nfs/dbraw/zinc/89/00/98/1430890098.db2.gz HVPNQIIQKOXNTJ-INIZCTEOSA-N 1 1 397.548 3.344 20 30 GGEDMO CCN(C(=O)NCc1ccc(OCC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184610944 1430918957 /nfs/dbraw/zinc/91/89/57/1430918957.db2.gz WAHFJEWJETZLIT-NRFANRHFSA-N 1 1 392.503 3.395 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000184619454 1430921638 /nfs/dbraw/zinc/92/16/38/1430921638.db2.gz DYRSTPXSBFSDQO-XLIONFOSSA-N 1 1 398.507 3.064 20 30 GGEDMO CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000184946418 1431027741 /nfs/dbraw/zinc/02/77/41/1431027741.db2.gz QKZMCRIFNDJDCF-JOCHJYFZSA-N 1 1 378.520 3.189 20 30 GGEDMO COc1cccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3ccc(C#N)cc3)n2)c1 ZINC000185109770 1431063075 /nfs/dbraw/zinc/06/30/75/1431063075.db2.gz SKFAEYALKCPDHG-CQSZACIVSA-N 1 1 391.431 3.296 20 30 GGEDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCOc3ccc(C#N)cc3OC)n2)c1 ZINC000185117299 1431064552 /nfs/dbraw/zinc/06/45/52/1431064552.db2.gz WDIKOCVDWVNVOF-AWEZNQCLSA-N 1 1 394.431 3.355 20 30 GGEDMO CC[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000185332710 1431117178 /nfs/dbraw/zinc/11/71/78/1431117178.db2.gz WAVXEHNJBPMXCO-OAQYLSRUSA-N 1 1 377.488 3.254 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185463575 1431150707 /nfs/dbraw/zinc/15/07/07/1431150707.db2.gz YZDNNRZTPMBEIV-YLJYHZDGSA-N 1 1 378.476 3.086 20 30 GGEDMO Cc1cccc(NC(=O)C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1C#N ZINC000185592800 1431178918 /nfs/dbraw/zinc/17/89/18/1431178918.db2.gz PZYLSCXXSCKHMY-OAQYLSRUSA-N 1 1 392.503 3.078 20 30 GGEDMO C=C(C)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000185831463 1431246434 /nfs/dbraw/zinc/24/64/34/1431246434.db2.gz NEVVJDQKQRDLFU-FQEVSTJZSA-N 1 1 394.510 3.249 20 30 GGEDMO C=C(C)[C@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000185831463 1431246439 /nfs/dbraw/zinc/24/64/39/1431246439.db2.gz NEVVJDQKQRDLFU-FQEVSTJZSA-N 1 1 394.510 3.249 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000185833971 1431246854 /nfs/dbraw/zinc/24/68/54/1431246854.db2.gz NSELEZCBKVULTO-MGPUTAFESA-N 1 1 393.478 3.477 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N1CC[NH+](CCOC(C)C)CC1)c1ccc(F)c(F)c1 ZINC000185849604 1431251615 /nfs/dbraw/zinc/25/16/15/1431251615.db2.gz POTCTZRCNXYVDJ-LJQANCHMSA-N 1 1 381.467 3.334 20 30 GGEDMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000185863159 1431255470 /nfs/dbraw/zinc/25/54/70/1431255470.db2.gz ACOKBAHNVFWWEC-HXUWFJFHSA-N 1 1 392.547 3.253 20 30 GGEDMO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186164605 1431344873 /nfs/dbraw/zinc/34/48/73/1431344873.db2.gz KXVBHZQVENNDQA-UHFFFAOYSA-N 1 1 376.504 3.185 20 30 GGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000186192365 1431349850 /nfs/dbraw/zinc/34/98/50/1431349850.db2.gz QTJCJHXLRWPINA-JOCHJYFZSA-N 1 1 389.547 3.296 20 30 GGEDMO Cc1cc(C#N)ccc1CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000186192365 1431349858 /nfs/dbraw/zinc/34/98/58/1431349858.db2.gz QTJCJHXLRWPINA-JOCHJYFZSA-N 1 1 389.547 3.296 20 30 GGEDMO COc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc(OC)c1OC ZINC000186251895 1431363436 /nfs/dbraw/zinc/36/34/36/1431363436.db2.gz OUEYWFPGXXOQHD-UHFFFAOYSA-N 1 1 395.503 3.210 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000186278300 1431370000 /nfs/dbraw/zinc/37/00/00/1431370000.db2.gz OBPGYLOCZJKBEZ-KRWDZBQOSA-N 1 1 399.516 3.170 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC000186286274 1431372102 /nfs/dbraw/zinc/37/21/02/1431372102.db2.gz MCVZNVRFGRVSGO-HXUWFJFHSA-N 1 1 397.544 3.366 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000186302244 1431376017 /nfs/dbraw/zinc/37/60/17/1431376017.db2.gz JEEDOBYPWJSUBT-OAHLLOKOSA-N 1 1 387.480 3.430 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000186302244 1431376023 /nfs/dbraw/zinc/37/60/23/1431376023.db2.gz JEEDOBYPWJSUBT-OAHLLOKOSA-N 1 1 387.480 3.430 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000186303876 1431376415 /nfs/dbraw/zinc/37/64/15/1431376415.db2.gz LOKLBSFVFRPTCT-QGZVFWFLSA-N 1 1 399.516 3.170 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000186305123 1431376981 /nfs/dbraw/zinc/37/69/81/1431376981.db2.gz JBUHIASTASRMDE-OAHLLOKOSA-N 1 1 387.480 3.430 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC[C@@H]3CCCCO3)CC2)cc1 ZINC000186629055 1431474132 /nfs/dbraw/zinc/47/41/32/1431474132.db2.gz GKZFITBYZQHSDH-NRFANRHFSA-N 1 1 384.524 3.125 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000186680846 1431490634 /nfs/dbraw/zinc/49/06/34/1431490634.db2.gz GFDFJRIQSSENKM-RDTXWAMCSA-N 1 1 381.467 3.069 20 30 GGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCSC3(CCOCC3)C2)c2ccccc21 ZINC000186810098 1431523565 /nfs/dbraw/zinc/52/35/65/1431523565.db2.gz GKUJKKJEUHIXIK-UHFFFAOYSA-N 1 1 383.517 3.336 20 30 GGEDMO N#CCCn1cc(C(=O)C[N@H+]2CCSC3(CCOCC3)C2)c2ccccc21 ZINC000186810098 1431523568 /nfs/dbraw/zinc/52/35/68/1431523568.db2.gz GKUJKKJEUHIXIK-UHFFFAOYSA-N 1 1 383.517 3.336 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186837187 1431533653 /nfs/dbraw/zinc/53/36/53/1431533653.db2.gz SFGPADIPVKZHOR-MRXNPFEDSA-N 1 1 391.512 3.059 20 30 GGEDMO CN1c2ccc(C[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000186860782 1431544460 /nfs/dbraw/zinc/54/44/60/1431544460.db2.gz MVYKXNDELAMZNO-UHFFFAOYSA-N 1 1 388.515 3.175 20 30 GGEDMO CN1c2ccc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000186860782 1431544468 /nfs/dbraw/zinc/54/44/68/1431544468.db2.gz MVYKXNDELAMZNO-UHFFFAOYSA-N 1 1 388.515 3.175 20 30 GGEDMO CN1c2ccc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000186860782 1431544477 /nfs/dbraw/zinc/54/44/77/1431544477.db2.gz MVYKXNDELAMZNO-UHFFFAOYSA-N 1 1 388.515 3.175 20 30 GGEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@]3(C#N)CCc4ccccc4C3)CC2)cs1 ZINC000186886178 1431555327 /nfs/dbraw/zinc/55/53/27/1431555327.db2.gz NPYMDMOUWUHCIQ-QFIPXVFZSA-N 1 1 394.544 3.231 20 30 GGEDMO C=CC[C@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000187077589 1431607389 /nfs/dbraw/zinc/60/73/89/1431607389.db2.gz SCXLWIUWDPGLQI-NRFANRHFSA-N 1 1 377.488 3.373 20 30 GGEDMO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000187102413 1431616001 /nfs/dbraw/zinc/61/60/01/1431616001.db2.gz BFFXMQFNIJUTLV-UHFFFAOYSA-N 1 1 385.489 3.354 20 30 GGEDMO C=C(C)[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000187272404 1431676700 /nfs/dbraw/zinc/67/67/00/1431676700.db2.gz WMOQAQVPTPBGSV-ZRGWGRIASA-N 1 1 381.467 3.381 20 30 GGEDMO N#Cc1c(F)cccc1C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000187314500 1431693581 /nfs/dbraw/zinc/69/35/81/1431693581.db2.gz RMLFBZSLXURYND-UHFFFAOYSA-N 1 1 392.434 3.237 20 30 GGEDMO C=C(C)[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCOCC1)c1ccc(F)c(F)c1 ZINC000187370004 1431711698 /nfs/dbraw/zinc/71/16/98/1431711698.db2.gz WVCDZEPAELOZTD-IBGZPJMESA-N 1 1 376.451 3.250 20 30 GGEDMO CC[C@@]1(CO)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000187523244 1431755707 /nfs/dbraw/zinc/75/57/07/1431755707.db2.gz GCBMRIWATDXVSA-HXUWFJFHSA-N 1 1 375.538 3.312 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2ccccc2NCC#Cc2ccc(Cl)cc2)CC1 ZINC000187535837 1431759907 /nfs/dbraw/zinc/75/99/07/1431759907.db2.gz QFQYMHHECUGJPA-UHFFFAOYSA-N 1 1 381.907 3.468 20 30 GGEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1CCC(C(=O)OCC)CC1)c1ccc(F)c(F)c1 ZINC000187756633 1431809105 /nfs/dbraw/zinc/80/91/05/1431809105.db2.gz HGEKWUFRUCUHLR-KUHUBIRLSA-N 1 1 394.462 3.362 20 30 GGEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(F)c(F)c1 ZINC000187759804 1431809320 /nfs/dbraw/zinc/80/93/20/1431809320.db2.gz OAFDSYKVVOMNRO-LJQANCHMSA-N 1 1 399.397 3.036 20 30 GGEDMO C=C(C)[C@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)c1ccc(F)c(F)c1 ZINC000187761265 1431809564 /nfs/dbraw/zinc/80/95/64/1431809564.db2.gz RPLPJWPUCLCVEH-NRFANRHFSA-N 1 1 393.478 3.081 20 30 GGEDMO C=CC[C@@H](C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000187785279 1431812122 /nfs/dbraw/zinc/81/21/22/1431812122.db2.gz OZYJPKPNBYOMSG-JOCHJYFZSA-N 1 1 397.563 3.139 20 30 GGEDMO C#CCOc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000188034710 1431838406 /nfs/dbraw/zinc/83/84/06/1431838406.db2.gz WREQOHHEYZDHJL-HXUWFJFHSA-N 1 1 377.488 3.385 20 30 GGEDMO N#Cc1cccc(Oc2ccc(NC(=O)NCC[N@H+]3CCCOCC3)cc2)c1 ZINC000188170416 1431856302 /nfs/dbraw/zinc/85/63/02/1431856302.db2.gz KTMISIHVFPNFCQ-UHFFFAOYSA-N 1 1 380.448 3.194 20 30 GGEDMO C=C(C)[C@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000188301590 1431871078 /nfs/dbraw/zinc/87/10/78/1431871078.db2.gz AWUHNUJOBQNSPT-UXHICEINSA-N 1 1 394.510 3.153 20 30 GGEDMO N#Cc1c(F)cccc1C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000188423535 1431883095 /nfs/dbraw/zinc/88/30/95/1431883095.db2.gz DCQRMBGODIXIFX-UHFFFAOYSA-N 1 1 394.494 3.025 20 30 GGEDMO CC[C@H](NC(=O)c1cccc(F)c1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000188588363 1431897902 /nfs/dbraw/zinc/89/79/02/1431897902.db2.gz PLCHUTDYFKPLME-LEWJYISDSA-N 1 1 381.451 3.107 20 30 GGEDMO CC[C@H](NC(=O)c1cccc(F)c1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000188588363 1431897903 /nfs/dbraw/zinc/89/79/03/1431897903.db2.gz PLCHUTDYFKPLME-LEWJYISDSA-N 1 1 381.451 3.107 20 30 GGEDMO CC[C@@H](NC(=O)c1cccc(F)c1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000188588343 1431897971 /nfs/dbraw/zinc/89/79/71/1431897971.db2.gz PLCHUTDYFKPLME-RTWAWAEBSA-N 1 1 381.451 3.107 20 30 GGEDMO CC[C@@H](NC(=O)c1cccc(F)c1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000188588343 1431897972 /nfs/dbraw/zinc/89/79/72/1431897972.db2.gz PLCHUTDYFKPLME-RTWAWAEBSA-N 1 1 381.451 3.107 20 30 GGEDMO CC[C@@H](NC(=O)c1cccc(F)c1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000188588381 1431897993 /nfs/dbraw/zinc/89/79/93/1431897993.db2.gz PLCHUTDYFKPLME-NHCUHLMSSA-N 1 1 381.451 3.107 20 30 GGEDMO CC[C@@H](NC(=O)c1cccc(F)c1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000188588381 1431897994 /nfs/dbraw/zinc/89/79/94/1431897994.db2.gz PLCHUTDYFKPLME-NHCUHLMSSA-N 1 1 381.451 3.107 20 30 GGEDMO C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC[N@H+]1CC(C)(C)O ZINC000188629215 1431910203 /nfs/dbraw/zinc/91/02/03/1431910203.db2.gz BHDUCFFSJSALBJ-QGZVFWFLSA-N 1 1 377.488 3.142 20 30 GGEDMO CC[N@H+](CCOCC(F)(F)C(F)(F)F)CC(=O)Nc1c(F)cccc1F ZINC000188659055 1431923359 /nfs/dbraw/zinc/92/33/59/1431923359.db2.gz RONDTGHXOCXLQR-UHFFFAOYSA-N 1 1 390.299 3.439 20 30 GGEDMO CC[N@@H+](CCOCC(F)(F)C(F)(F)F)CC(=O)Nc1c(F)cccc1F ZINC000188659055 1431923366 /nfs/dbraw/zinc/92/33/66/1431923366.db2.gz RONDTGHXOCXLQR-UHFFFAOYSA-N 1 1 390.299 3.439 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000188730841 1431949110 /nfs/dbraw/zinc/94/91/10/1431949110.db2.gz BYMXVTOKEYUDGG-HKUYNNGSSA-N 1 1 393.491 3.406 20 30 GGEDMO N#CCCCOc1cccnc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000188732097 1431950478 /nfs/dbraw/zinc/95/04/78/1431950478.db2.gz QOBXXQQFLCXORH-UHFFFAOYSA-N 1 1 393.491 3.156 20 30 GGEDMO C=CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188964069 1432017572 /nfs/dbraw/zinc/01/75/72/1432017572.db2.gz UIVOSBCDVREZGE-QGZVFWFLSA-N 1 1 385.430 3.124 20 30 GGEDMO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)c(O)c1 ZINC000189027320 1432029435 /nfs/dbraw/zinc/02/94/35/1432029435.db2.gz RXVOEHGZYDIADG-LJQANCHMSA-N 1 1 379.460 3.096 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)c(O)c1 ZINC000189027320 1432029439 /nfs/dbraw/zinc/02/94/39/1432029439.db2.gz RXVOEHGZYDIADG-LJQANCHMSA-N 1 1 379.460 3.096 20 30 GGEDMO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000189029044 1432029814 /nfs/dbraw/zinc/02/98/14/1432029814.db2.gz AEHSIZXJFMRZDL-SIKLNZKXSA-N 1 1 387.524 3.020 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189240529 1432069600 /nfs/dbraw/zinc/06/96/00/1432069600.db2.gz YNZBPZBRCYABQS-PXNSSMCTSA-N 1 1 385.508 3.221 20 30 GGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cccc(F)c3C#N)CC2)cs1 ZINC000189414933 1432103323 /nfs/dbraw/zinc/10/33/23/1432103323.db2.gz RYCXKWPGAIMNOO-UHFFFAOYSA-N 1 1 386.496 3.358 20 30 GGEDMO N#Cc1ccccc1Sc1ccccc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189420060 1432104133 /nfs/dbraw/zinc/10/41/33/1432104133.db2.gz VEXLTORSAPUREI-UHFFFAOYSA-N 1 1 381.501 3.162 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000189443211 1432113313 /nfs/dbraw/zinc/11/33/13/1432113313.db2.gz OFZATIZHHOFUDV-SFHVURJKSA-N 1 1 392.503 3.254 20 30 GGEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189478068 1432128531 /nfs/dbraw/zinc/12/85/31/1432128531.db2.gz CBNZUKCIRIRYLP-KRWDZBQOSA-N 1 1 393.491 3.108 20 30 GGEDMO COCCc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000189510596 1432141429 /nfs/dbraw/zinc/14/14/29/1432141429.db2.gz IXFYLYUNHGTWJY-UHFFFAOYSA-N 1 1 392.503 3.487 20 30 GGEDMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000189564044 1432160596 /nfs/dbraw/zinc/16/05/96/1432160596.db2.gz VPDDZFXTKYEVKF-DYESRHJHSA-N 1 1 390.487 3.008 20 30 GGEDMO CC#CCNC(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000189866613 1432257529 /nfs/dbraw/zinc/25/75/29/1432257529.db2.gz AOPQPHDTTJMLMU-UHFFFAOYSA-N 1 1 393.487 3.407 20 30 GGEDMO CC#CCNC(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000189866613 1432257530 /nfs/dbraw/zinc/25/75/30/1432257530.db2.gz AOPQPHDTTJMLMU-UHFFFAOYSA-N 1 1 393.487 3.407 20 30 GGEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000190108205 1432320982 /nfs/dbraw/zinc/32/09/82/1432320982.db2.gz IFIDYYQWCKFURD-MDZRGWNJSA-N 1 1 394.437 3.157 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000190186676 1432336104 /nfs/dbraw/zinc/33/61/04/1432336104.db2.gz GOMRKJKWXQZOSV-HOTGVXAUSA-N 1 1 390.553 3.247 20 30 GGEDMO C=CCc1cc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314511 1432359182 /nfs/dbraw/zinc/35/91/82/1432359182.db2.gz VPSCKPKVALJRKT-DEOSSOPVSA-N 1 1 396.531 3.198 20 30 GGEDMO C=CCc1cc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000190314511 1432359186 /nfs/dbraw/zinc/35/91/86/1432359186.db2.gz VPSCKPKVALJRKT-DEOSSOPVSA-N 1 1 396.531 3.198 20 30 GGEDMO C=CCc1cc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000190314511 1432359190 /nfs/dbraw/zinc/35/91/90/1432359190.db2.gz VPSCKPKVALJRKT-DEOSSOPVSA-N 1 1 396.531 3.198 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000190468890 1432387669 /nfs/dbraw/zinc/38/76/69/1432387669.db2.gz VVQCYDFDYXEWBW-AWEZNQCLSA-N 1 1 386.521 3.241 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000190468890 1432387673 /nfs/dbraw/zinc/38/76/73/1432387673.db2.gz VVQCYDFDYXEWBW-AWEZNQCLSA-N 1 1 386.521 3.241 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCSC[C@H](C)C2)c1C#N ZINC000190468870 1432387686 /nfs/dbraw/zinc/38/76/86/1432387686.db2.gz VVQCYDFDYXEWBW-CQSZACIVSA-N 1 1 386.521 3.241 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCSC[C@H](C)C2)c1C#N ZINC000190468870 1432387689 /nfs/dbraw/zinc/38/76/89/1432387689.db2.gz VVQCYDFDYXEWBW-CQSZACIVSA-N 1 1 386.521 3.241 20 30 GGEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc2c(s1)CCCC2 ZINC000190614604 1432420867 /nfs/dbraw/zinc/42/08/67/1432420867.db2.gz RSYJOEJCOZOSBA-KBXCAEBGSA-N 1 1 380.517 3.345 20 30 GGEDMO COc1ccccc1[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+]1CCCCC1 ZINC000190777030 1432475466 /nfs/dbraw/zinc/47/54/66/1432475466.db2.gz VIJSHHAKQBWRGV-LJQANCHMSA-N 1 1 379.460 3.229 20 30 GGEDMO COc1ccccc1[C@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+]1CCCCC1 ZINC000190777050 1432475497 /nfs/dbraw/zinc/47/54/97/1432475497.db2.gz VIJSHHAKQBWRGV-IBGZPJMESA-N 1 1 379.460 3.229 20 30 GGEDMO C=CCOc1ccccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190967772 1432539814 /nfs/dbraw/zinc/53/98/14/1432539814.db2.gz USXBFPFKKABWQQ-FQEVSTJZSA-N 1 1 380.488 3.272 20 30 GGEDMO C[N@H+]1CC[C@@H](CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)C1 ZINC000191049480 1432557151 /nfs/dbraw/zinc/55/71/51/1432557151.db2.gz MNWYPOMQBHPOTF-MRXNPFEDSA-N 1 1 376.485 3.301 20 30 GGEDMO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000191081367 1432563866 /nfs/dbraw/zinc/56/38/66/1432563866.db2.gz FEAPFMJHZAPRAZ-AWEZNQCLSA-N 1 1 375.398 3.386 20 30 GGEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000191081367 1432563871 /nfs/dbraw/zinc/56/38/71/1432563871.db2.gz FEAPFMJHZAPRAZ-AWEZNQCLSA-N 1 1 375.398 3.386 20 30 GGEDMO Cn1cc([C@@H]2CSCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000191175257 1432582890 /nfs/dbraw/zinc/58/28/90/1432582890.db2.gz NCHGGNRZOZZDMB-KRWDZBQOSA-N 1 1 389.912 3.064 20 30 GGEDMO Cn1cc([C@@H]2CSCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000191175257 1432582894 /nfs/dbraw/zinc/58/28/94/1432582894.db2.gz NCHGGNRZOZZDMB-KRWDZBQOSA-N 1 1 389.912 3.064 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1C#N ZINC000191195571 1432588175 /nfs/dbraw/zinc/58/81/75/1432588175.db2.gz WMNLBJSVMLCZPM-CQSZACIVSA-N 1 1 388.397 3.338 20 30 GGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191303497 1432625875 /nfs/dbraw/zinc/62/58/75/1432625875.db2.gz XNPKKDQAJQOCMA-UHFFFAOYSA-N 1 1 397.426 3.149 20 30 GGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191303497 1432625882 /nfs/dbraw/zinc/62/58/82/1432625882.db2.gz XNPKKDQAJQOCMA-UHFFFAOYSA-N 1 1 397.426 3.149 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191877357 1432745266 /nfs/dbraw/zinc/74/52/66/1432745266.db2.gz KUIFCEVYPSGZSW-FQEVSTJZSA-N 1 1 378.476 3.279 20 30 GGEDMO C#CCOc1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191939229 1432760756 /nfs/dbraw/zinc/76/07/56/1432760756.db2.gz ZHTAZXSPSCWVSV-FQEVSTJZSA-N 1 1 393.487 3.111 20 30 GGEDMO CCC[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000191938299 1432761345 /nfs/dbraw/zinc/76/13/45/1432761345.db2.gz MVNKXFCPWRFDKI-UHFFFAOYSA-N 1 1 385.533 3.232 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1F ZINC000191975492 1432772843 /nfs/dbraw/zinc/77/28/43/1432772843.db2.gz XBDFRWAHFLTGQG-FQEVSTJZSA-N 1 1 393.510 3.127 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1F ZINC000191975492 1432772848 /nfs/dbraw/zinc/77/28/48/1432772848.db2.gz XBDFRWAHFLTGQG-FQEVSTJZSA-N 1 1 393.510 3.127 20 30 GGEDMO O=C(NCC(F)(F)C(F)F)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000192020141 1432780675 /nfs/dbraw/zinc/78/06/75/1432780675.db2.gz NSASRSMSWLCGFQ-CQSZACIVSA-N 1 1 386.311 3.458 20 30 GGEDMO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192221674 1432818973 /nfs/dbraw/zinc/81/89/73/1432818973.db2.gz MKKBYCZFUQITPD-JOCHJYFZSA-N 1 1 380.488 3.272 20 30 GGEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1 ZINC000192241434 1432821474 /nfs/dbraw/zinc/82/14/74/1432821474.db2.gz LSZIYVRNWUHWNU-SFHVURJKSA-N 1 1 384.823 3.011 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000192530399 1432855536 /nfs/dbraw/zinc/85/55/36/1432855536.db2.gz FLPHDCZZIOPAIV-QFIPXVFZSA-N 1 1 394.515 3.003 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000192554895 1432859316 /nfs/dbraw/zinc/85/93/16/1432859316.db2.gz USBLUWLMUOYSHL-YFVAEKQCSA-N 1 1 396.535 3.070 20 30 GGEDMO COc1cc(C[N@H+](C2CC2)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1O ZINC000192710590 1432878362 /nfs/dbraw/zinc/87/83/62/1432878362.db2.gz ALTFQNTYAOTJKK-FQEVSTJZSA-N 1 1 391.471 3.432 20 30 GGEDMO COc1cc(C[N@@H+](C2CC2)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1O ZINC000192710590 1432878363 /nfs/dbraw/zinc/87/83/63/1432878363.db2.gz ALTFQNTYAOTJKK-FQEVSTJZSA-N 1 1 391.471 3.432 20 30 GGEDMO C[C@H](CCO)[N@@H+](Cc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192720305 1432879878 /nfs/dbraw/zinc/87/98/78/1432879878.db2.gz SLHGWRRMQUJTPV-XMSQKQJNSA-N 1 1 377.488 3.327 20 30 GGEDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000192945360 1432911362 /nfs/dbraw/zinc/91/13/62/1432911362.db2.gz YVTJSDHFXLKXAJ-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000192945360 1432911364 /nfs/dbraw/zinc/91/13/64/1432911364.db2.gz YVTJSDHFXLKXAJ-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000192988301 1432917836 /nfs/dbraw/zinc/91/78/36/1432917836.db2.gz BAOXPCLTVLVRIN-INIZCTEOSA-N 1 1 389.908 3.012 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193088668 1432934430 /nfs/dbraw/zinc/93/44/30/1432934430.db2.gz UHGASTZFLGARDM-HDICACEKSA-N 1 1 398.551 3.301 20 30 GGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)c2C1 ZINC000193116528 1432938458 /nfs/dbraw/zinc/93/84/58/1432938458.db2.gz XNRVVHDFLIOCKI-UHFFFAOYSA-N 1 1 393.491 3.435 20 30 GGEDMO CCC[N@H+]1Cc2cccc(NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)c2C1 ZINC000193116528 1432938465 /nfs/dbraw/zinc/93/84/65/1432938465.db2.gz XNRVVHDFLIOCKI-UHFFFAOYSA-N 1 1 393.491 3.435 20 30 GGEDMO Cc1ccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)[nH]n2)o1 ZINC000193181431 1432952768 /nfs/dbraw/zinc/95/27/68/1432952768.db2.gz KYTFKKRNUVRCEZ-UHFFFAOYSA-N 1 1 389.459 3.198 20 30 GGEDMO Cc1ccc(-c2cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)[nH]n2)o1 ZINC000193181431 1432952773 /nfs/dbraw/zinc/95/27/73/1432952773.db2.gz KYTFKKRNUVRCEZ-UHFFFAOYSA-N 1 1 389.459 3.198 20 30 GGEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000193587405 1433024512 /nfs/dbraw/zinc/02/45/12/1433024512.db2.gz MYRXJYMLCVKALC-HNNXBMFYSA-N 1 1 378.432 3.301 20 30 GGEDMO CC[N@@H+](CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000193757473 1433053831 /nfs/dbraw/zinc/05/38/31/1433053831.db2.gz UZYPPXGKLGEJQG-GOSISDBHSA-N 1 1 398.551 3.047 20 30 GGEDMO C=CCc1ccc(OCC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000193808784 1433064316 /nfs/dbraw/zinc/06/43/16/1433064316.db2.gz GTDUSJYWIFGNBZ-NRFANRHFSA-N 1 1 394.515 3.441 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)nc1 ZINC000193852763 1433073245 /nfs/dbraw/zinc/07/32/45/1433073245.db2.gz XZDFJFYAPVRUNX-UHFFFAOYSA-N 1 1 385.471 3.249 20 30 GGEDMO N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193880659 1433077547 /nfs/dbraw/zinc/07/75/47/1433077547.db2.gz CHJHVMDUSANFRX-IBGZPJMESA-N 1 1 393.491 3.408 20 30 GGEDMO COC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1 ZINC000194192609 1433135777 /nfs/dbraw/zinc/13/57/77/1433135777.db2.gz SMEOGSUVGPTXKK-WOJBJXKFSA-N 1 1 383.879 3.290 20 30 GGEDMO C=CCSCCNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000194565703 1433198388 /nfs/dbraw/zinc/19/83/88/1433198388.db2.gz QOTBTPVQTADZTO-CALCHBBNSA-N 1 1 377.554 3.014 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1OCCCC#N ZINC000194933478 1433267498 /nfs/dbraw/zinc/26/74/98/1433267498.db2.gz WKQIZZFLPOBLEK-QGZVFWFLSA-N 1 1 399.495 3.206 20 30 GGEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)ccc1OC ZINC000194936218 1433268106 /nfs/dbraw/zinc/26/81/06/1433268106.db2.gz UQWYADAHBUOXML-KRWDZBQOSA-N 1 1 386.496 3.479 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)cc1 ZINC000194960804 1433272709 /nfs/dbraw/zinc/27/27/09/1433272709.db2.gz VAKVKVIHWFQOMI-UHFFFAOYSA-N 1 1 376.416 3.020 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)cc1 ZINC000194960804 1433272713 /nfs/dbraw/zinc/27/27/13/1433272713.db2.gz VAKVKVIHWFQOMI-UHFFFAOYSA-N 1 1 376.416 3.020 20 30 GGEDMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194963857 1433273341 /nfs/dbraw/zinc/27/33/41/1433273341.db2.gz HEHCACMSTYWCIW-MRXNPFEDSA-N 1 1 393.487 3.417 20 30 GGEDMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194963857 1433273343 /nfs/dbraw/zinc/27/33/43/1433273343.db2.gz HEHCACMSTYWCIW-MRXNPFEDSA-N 1 1 393.487 3.417 20 30 GGEDMO Cc1ccc(NC(=O)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)c1 ZINC000194966763 1433274012 /nfs/dbraw/zinc/27/40/12/1433274012.db2.gz KXJDXPKQQCKYRQ-UHFFFAOYSA-N 1 1 376.460 3.488 20 30 GGEDMO Cc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)c1 ZINC000194966763 1433274016 /nfs/dbraw/zinc/27/40/16/1433274016.db2.gz KXJDXPKQQCKYRQ-UHFFFAOYSA-N 1 1 376.460 3.488 20 30 GGEDMO C[NH+](C)[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccccc1 ZINC000195455134 1433331689 /nfs/dbraw/zinc/33/16/89/1433331689.db2.gz MGDIYJFQIRQPGT-HSZRJFAPSA-N 1 1 399.498 3.058 20 30 GGEDMO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000195604853 1433341284 /nfs/dbraw/zinc/34/12/84/1433341284.db2.gz MSAGXZHRPOXGEN-CVEARBPZSA-N 1 1 381.442 3.477 20 30 GGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000195600774 1433341311 /nfs/dbraw/zinc/34/13/11/1433341311.db2.gz XPPQHLLFBPMWFD-JKSUJKDBSA-N 1 1 392.931 3.199 20 30 GGEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000195662762 1433343754 /nfs/dbraw/zinc/34/37/54/1433343754.db2.gz GRAOGTPWROPBAN-UHFFFAOYSA-N 1 1 395.482 3.157 20 30 GGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000216166942 1433363117 /nfs/dbraw/zinc/36/31/17/1433363117.db2.gz ATPQRLUWZCBNBE-QGZVFWFLSA-N 1 1 393.553 3.086 20 30 GGEDMO Cc1sc(NC(=O)CN2CC[NH+](Cc3ccccc3C)CC2)c(C#N)c1C ZINC000216666292 1433364156 /nfs/dbraw/zinc/36/41/56/1433364156.db2.gz OAAZYFVACLRPCC-UHFFFAOYSA-N 1 1 382.533 3.301 20 30 GGEDMO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[NH+]2CCC3(CCCCC3)CC2)C1=O ZINC000216630807 1433364215 /nfs/dbraw/zinc/36/42/15/1433364215.db2.gz FQKSCOLGFQBNAT-NRFANRHFSA-N 1 1 380.492 3.329 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000245460550 1433472319 /nfs/dbraw/zinc/47/23/19/1433472319.db2.gz VWLZVPWFZMXISU-WOJBJXKFSA-N 1 1 382.552 3.314 20 30 GGEDMO CCc1nccn1[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514420 1433480153 /nfs/dbraw/zinc/48/01/53/1433480153.db2.gz BVDRCODPBPMAFL-PMACEKPBSA-N 1 1 377.492 3.150 20 30 GGEDMO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245536735 1433482299 /nfs/dbraw/zinc/48/22/99/1433482299.db2.gz XUVPUDUSESFJDL-ICSRJNTNSA-N 1 1 383.492 3.109 20 30 GGEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000245563778 1433485673 /nfs/dbraw/zinc/48/56/73/1433485673.db2.gz QBNQQCPCNQPJMS-BEEJXANESA-N 1 1 399.539 3.063 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245603535 1433489639 /nfs/dbraw/zinc/48/96/39/1433489639.db2.gz MXPKYARSJJZKDT-FUHIMQAGSA-N 1 1 383.471 3.240 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245603542 1433489648 /nfs/dbraw/zinc/48/96/48/1433489648.db2.gz MXPKYARSJJZKDT-MBOZVWFJSA-N 1 1 383.471 3.240 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c(OC)c1 ZINC000245601382 1433489728 /nfs/dbraw/zinc/48/97/28/1433489728.db2.gz PCXBPRRHDILIKF-MOPGFXCFSA-N 1 1 385.508 3.340 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000245689709 1433500180 /nfs/dbraw/zinc/50/01/80/1433500180.db2.gz QCTAKSBTELBYMQ-CMKODMSKSA-N 1 1 395.507 3.110 20 30 GGEDMO Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc(C)c1OC(F)F ZINC000245695263 1433501334 /nfs/dbraw/zinc/50/13/34/1433501334.db2.gz BBMSUWATCHWHQY-OAHLLOKOSA-N 1 1 387.434 3.277 20 30 GGEDMO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc(C)c1OC(F)F ZINC000245695263 1433501337 /nfs/dbraw/zinc/50/13/37/1433501337.db2.gz BBMSUWATCHWHQY-OAHLLOKOSA-N 1 1 387.434 3.277 20 30 GGEDMO C=C[C@@H](CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000245696856 1433501634 /nfs/dbraw/zinc/50/16/34/1433501634.db2.gz YIZAOZLRKNCBES-RXVVDRJESA-N 1 1 377.488 3.435 20 30 GGEDMO C=C[C@@H](CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000245696856 1433501638 /nfs/dbraw/zinc/50/16/38/1433501638.db2.gz YIZAOZLRKNCBES-RXVVDRJESA-N 1 1 377.488 3.435 20 30 GGEDMO CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245721707 1433505924 /nfs/dbraw/zinc/50/59/24/1433505924.db2.gz PTVUYSKTPHNFOS-FCHUYYIVSA-N 1 1 382.552 3.162 20 30 GGEDMO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000245793029 1433518536 /nfs/dbraw/zinc/51/85/36/1433518536.db2.gz OCMXJLUOMJORBP-GDBMZVCRSA-N 1 1 383.448 3.257 20 30 GGEDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000245793029 1433518537 /nfs/dbraw/zinc/51/85/37/1433518537.db2.gz OCMXJLUOMJORBP-GDBMZVCRSA-N 1 1 383.448 3.257 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245851780 1433527203 /nfs/dbraw/zinc/52/72/03/1433527203.db2.gz JKHHZMKMPMKPAH-ROUUACIJSA-N 1 1 397.498 3.149 20 30 GGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245863673 1433529885 /nfs/dbraw/zinc/52/98/85/1433529885.db2.gz PLPNAYQTGMDAOT-YLJYHZDGSA-N 1 1 394.544 3.076 20 30 GGEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000245872114 1433530935 /nfs/dbraw/zinc/53/09/35/1433530935.db2.gz ABELXAZJJWMARN-FUHWJXTLSA-N 1 1 379.426 3.183 20 30 GGEDMO C[C@H]([NH2+][C@@H](C[S@@](C)=O)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000245876850 1433532079 /nfs/dbraw/zinc/53/20/79/1433532079.db2.gz MOJHJFIEKZULSN-FOISBLJDSA-N 1 1 389.908 3.248 20 30 GGEDMO C[C@H](C#N)Oc1ccc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000245903697 1433538420 /nfs/dbraw/zinc/53/84/20/1433538420.db2.gz AKABTXBLZHKHRR-YLJYHZDGSA-N 1 1 392.503 3.287 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000245914603 1433541123 /nfs/dbraw/zinc/54/11/23/1433541123.db2.gz FHETXWIBXMZLSS-SESVDKBCSA-N 1 1 386.540 3.468 20 30 GGEDMO O=C1CC[C@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]2N1C1CC1 ZINC000245928566 1433544937 /nfs/dbraw/zinc/54/49/37/1433544937.db2.gz YARAJPOACPPMPE-QFBILLFUSA-N 1 1 392.421 3.412 20 30 GGEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@@H]1C ZINC000245961463 1433551075 /nfs/dbraw/zinc/55/10/75/1433551075.db2.gz UVXIJZJEMBCFDH-FGTMMUONSA-N 1 1 398.551 3.334 20 30 GGEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@@H]1C ZINC000245961463 1433551081 /nfs/dbraw/zinc/55/10/81/1433551081.db2.gz UVXIJZJEMBCFDH-FGTMMUONSA-N 1 1 398.551 3.334 20 30 GGEDMO CCOCCCN1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000245968292 1433551764 /nfs/dbraw/zinc/55/17/64/1433551764.db2.gz ZICYJFLLLSDEMP-RDPSFJRHSA-N 1 1 398.595 3.249 20 30 GGEDMO CC(C)[C@@H](CC[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000245985888 1433553349 /nfs/dbraw/zinc/55/33/49/1433553349.db2.gz HPASJDSRBPVADK-RTBURBONSA-N 1 1 375.513 3.463 20 30 GGEDMO CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(C#N)cc1 ZINC000246052177 1433561732 /nfs/dbraw/zinc/56/17/32/1433561732.db2.gz ALPRSYXDCGHGOI-HNTVYWHESA-N 1 1 389.499 3.359 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246110547 1433570430 /nfs/dbraw/zinc/57/04/30/1433570430.db2.gz CAULYIHFVVJNDI-CEXWTWQISA-N 1 1 398.551 3.097 20 30 GGEDMO CC(C)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000246137704 1433573571 /nfs/dbraw/zinc/57/35/71/1433573571.db2.gz KEESOTHCZOUUBB-IFMALSPDSA-N 1 1 386.467 3.129 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1)C1CC1 ZINC000246198629 1433581179 /nfs/dbraw/zinc/58/11/79/1433581179.db2.gz UISJRIDTWRLMIB-QRWLVFNGSA-N 1 1 375.900 3.239 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1)C1CC1 ZINC000246198629 1433581182 /nfs/dbraw/zinc/58/11/82/1433581182.db2.gz UISJRIDTWRLMIB-QRWLVFNGSA-N 1 1 375.900 3.239 20 30 GGEDMO C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1=S ZINC000246201105 1433581326 /nfs/dbraw/zinc/58/13/26/1433581326.db2.gz ATGCLFCEAJIVSK-ZWKOTPCHSA-N 1 1 384.553 3.036 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000246221042 1433583466 /nfs/dbraw/zinc/58/34/66/1433583466.db2.gz LLVDPNBPYMOORY-WIYYLYMNSA-N 1 1 385.533 3.338 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000246221042 1433583469 /nfs/dbraw/zinc/58/34/69/1433583469.db2.gz LLVDPNBPYMOORY-WIYYLYMNSA-N 1 1 385.533 3.338 20 30 GGEDMO CC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000246230416 1433584659 /nfs/dbraw/zinc/58/46/59/1433584659.db2.gz MMRLVIMGDGTIKH-IAGOWNOFSA-N 1 1 384.524 3.088 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246264966 1433587782 /nfs/dbraw/zinc/58/77/82/1433587782.db2.gz AYSALUVPIDEDGL-VQTJNVASSA-N 1 1 379.460 3.012 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246264966 1433587784 /nfs/dbraw/zinc/58/77/84/1433587784.db2.gz AYSALUVPIDEDGL-VQTJNVASSA-N 1 1 379.460 3.012 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246272101 1433588394 /nfs/dbraw/zinc/58/83/94/1433588394.db2.gz VAFFRVPHDAWCAK-QFBILLFUSA-N 1 1 389.546 3.290 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246279067 1433589017 /nfs/dbraw/zinc/58/90/17/1433589017.db2.gz VNNNNRXNJRFINI-VQIMIIECSA-N 1 1 389.546 3.290 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246286200 1433589619 /nfs/dbraw/zinc/58/96/19/1433589619.db2.gz ARTWYGMSEKQNSG-ZHALLVOQSA-N 1 1 386.565 3.311 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246286192 1433589866 /nfs/dbraw/zinc/58/98/66/1433589866.db2.gz ARTWYGMSEKQNSG-LMMKCTJWSA-N 1 1 386.565 3.311 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)O)c1C#N ZINC000246300471 1433591841 /nfs/dbraw/zinc/59/18/41/1433591841.db2.gz DOMMRPQQCKZDGI-GHTZIAJQSA-N 1 1 394.519 3.199 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)O)c1C#N ZINC000246300471 1433591844 /nfs/dbraw/zinc/59/18/44/1433591844.db2.gz DOMMRPQQCKZDGI-GHTZIAJQSA-N 1 1 394.519 3.199 20 30 GGEDMO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000246308656 1433592780 /nfs/dbraw/zinc/59/27/80/1433592780.db2.gz VYNZVVZPODKEMZ-MRXNPFEDSA-N 1 1 379.508 3.371 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000246315216 1433593435 /nfs/dbraw/zinc/59/34/35/1433593435.db2.gz RSUHBOZAFFDUFB-SJLPKXTDSA-N 1 1 392.507 3.083 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000246315216 1433593439 /nfs/dbraw/zinc/59/34/39/1433593439.db2.gz RSUHBOZAFFDUFB-SJLPKXTDSA-N 1 1 392.507 3.083 20 30 GGEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000246375815 1433602942 /nfs/dbraw/zinc/60/29/42/1433602942.db2.gz MWRCERNUNLRFDK-SJORKVTESA-N 1 1 397.523 3.197 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246375121 1433602998 /nfs/dbraw/zinc/60/29/98/1433602998.db2.gz AOJZSDWIVUEBNE-FXAWDEMLSA-N 1 1 383.517 3.198 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246375135 1433603011 /nfs/dbraw/zinc/60/30/11/1433603011.db2.gz AOJZSDWIVUEBNE-PXNSSMCTSA-N 1 1 383.517 3.198 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000246378288 1433603458 /nfs/dbraw/zinc/60/34/58/1433603458.db2.gz MOJGWELZTHTKAP-HZPDHXFCSA-N 1 1 395.956 3.487 20 30 GGEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246409734 1433608659 /nfs/dbraw/zinc/60/86/59/1433608659.db2.gz QELLNJGUICPNHU-CVEARBPZSA-N 1 1 388.537 3.010 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246429709 1433611700 /nfs/dbraw/zinc/61/17/00/1433611700.db2.gz CNKLEJUEPIWHDH-LSTHTHJFSA-N 1 1 387.499 3.445 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246443497 1433613528 /nfs/dbraw/zinc/61/35/28/1433613528.db2.gz DTJNGLLTSMBNMK-QKLQHJQFSA-N 1 1 377.554 3.471 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246443480 1433613550 /nfs/dbraw/zinc/61/35/50/1433613550.db2.gz DTJNGLLTSMBNMK-HLIPFELVSA-N 1 1 377.554 3.471 20 30 GGEDMO C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000246449488 1433614591 /nfs/dbraw/zinc/61/45/91/1433614591.db2.gz OKYGSGQDQQLMTD-ZWKOTPCHSA-N 1 1 384.524 3.231 20 30 GGEDMO N#CCC[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000246472448 1433618163 /nfs/dbraw/zinc/61/81/63/1433618163.db2.gz GBIOOCZHZRXGIX-FCHUYYIVSA-N 1 1 377.488 3.439 20 30 GGEDMO N#CCC[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000246472448 1433618164 /nfs/dbraw/zinc/61/81/64/1433618164.db2.gz GBIOOCZHZRXGIX-FCHUYYIVSA-N 1 1 377.488 3.439 20 30 GGEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000246480859 1433619217 /nfs/dbraw/zinc/61/92/17/1433619217.db2.gz GNHVRBZIHKXMDY-IZZBFERCSA-N 1 1 384.524 3.315 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000246480859 1433619218 /nfs/dbraw/zinc/61/92/18/1433619218.db2.gz GNHVRBZIHKXMDY-IZZBFERCSA-N 1 1 384.524 3.315 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000246502603 1433622117 /nfs/dbraw/zinc/62/21/17/1433622117.db2.gz FTOVSGBMRQALGQ-LPHOPBHVSA-N 1 1 397.450 3.233 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000246502603 1433622122 /nfs/dbraw/zinc/62/21/22/1433622122.db2.gz FTOVSGBMRQALGQ-LPHOPBHVSA-N 1 1 397.450 3.233 20 30 GGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246524713 1433625254 /nfs/dbraw/zinc/62/52/54/1433625254.db2.gz RNDDJLCIVSMTCX-IFMALSPDSA-N 1 1 377.488 3.226 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246543648 1433628403 /nfs/dbraw/zinc/62/84/03/1433628403.db2.gz QLDHVOJIASTUAE-PXNSSMCTSA-N 1 1 383.517 3.198 20 30 GGEDMO C[C@@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000246625584 1433641385 /nfs/dbraw/zinc/64/13/85/1433641385.db2.gz ZCKDZPACSWTKBA-XLIONFOSSA-N 1 1 394.544 3.321 20 30 GGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246660883 1433646732 /nfs/dbraw/zinc/64/67/32/1433646732.db2.gz AJXDNRMCFHWCLE-HFXUHXBXSA-N 1 1 388.471 3.161 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246668152 1433647507 /nfs/dbraw/zinc/64/75/07/1433647507.db2.gz TXAMNRXDPMJKRK-WSTZPKSXSA-N 1 1 387.524 3.035 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246668152 1433647510 /nfs/dbraw/zinc/64/75/10/1433647510.db2.gz TXAMNRXDPMJKRK-WSTZPKSXSA-N 1 1 387.524 3.035 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1C#N ZINC000246687130 1433649955 /nfs/dbraw/zinc/64/99/55/1433649955.db2.gz MDSYUUTUZOUNTI-KXBFYZLASA-N 1 1 380.492 3.140 20 30 GGEDMO COC[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000246722789 1433655473 /nfs/dbraw/zinc/65/54/73/1433655473.db2.gz KNWMTYYGKWHYAI-HUUCEWRRSA-N 1 1 375.538 3.432 20 30 GGEDMO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000246736393 1433657953 /nfs/dbraw/zinc/65/79/53/1433657953.db2.gz NSROQRXBDPHVQX-FUHWJXTLSA-N 1 1 391.487 3.096 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246790907 1433667156 /nfs/dbraw/zinc/66/71/56/1433667156.db2.gz MIRLTXZTQOZXLF-XQBPLPMBSA-N 1 1 380.536 3.270 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246797057 1433668592 /nfs/dbraw/zinc/66/85/92/1433668592.db2.gz MQHNYNMWDBENHD-NZQKXSOJSA-N 1 1 394.563 3.499 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246797076 1433668639 /nfs/dbraw/zinc/66/86/39/1433668639.db2.gz MQHNYNMWDBENHD-REWPJTCUSA-N 1 1 394.563 3.499 20 30 GGEDMO C[C@H](O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000246805661 1433670302 /nfs/dbraw/zinc/67/03/02/1433670302.db2.gz SYCVCHSPDRABQR-QLFBSQMISA-N 1 1 375.538 3.308 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)C2=O)cc1 ZINC000246814123 1433672438 /nfs/dbraw/zinc/67/24/38/1433672438.db2.gz NKDJKMXRFHEIBA-FDFHNCONSA-N 1 1 393.462 3.391 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000246862962 1433679716 /nfs/dbraw/zinc/67/97/16/1433679716.db2.gz DVNLRCJQGJRKLD-GOSISDBHSA-N 1 1 383.517 3.152 20 30 GGEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246868306 1433680538 /nfs/dbraw/zinc/68/05/38/1433680538.db2.gz WFUPRLWSFRLIOZ-ZBFHGGJFSA-N 1 1 375.469 3.150 20 30 GGEDMO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246868306 1433680540 /nfs/dbraw/zinc/68/05/40/1433680540.db2.gz WFUPRLWSFRLIOZ-ZBFHGGJFSA-N 1 1 375.469 3.150 20 30 GGEDMO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1=S ZINC000246872179 1433680972 /nfs/dbraw/zinc/68/09/72/1433680972.db2.gz DNTRVTBZBFAZCO-RBUKOAKNSA-N 1 1 398.580 3.426 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OCC)[C@@H](C)C1 ZINC000247218316 1433692686 /nfs/dbraw/zinc/69/26/86/1433692686.db2.gz MWEOGVSFJBRQOM-WMZOPIPTSA-N 1 1 388.512 3.215 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247242347 1433695523 /nfs/dbraw/zinc/69/55/23/1433695523.db2.gz TUNQWGGQSJLBJX-KZNAEPCWSA-N 1 1 377.554 3.424 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247295114 1433700980 /nfs/dbraw/zinc/70/09/80/1433700980.db2.gz UJNZOQLNIIONPO-AOIWGVFYSA-N 1 1 386.565 3.435 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247295123 1433701373 /nfs/dbraw/zinc/70/13/73/1433701373.db2.gz UJNZOQLNIIONPO-LMMKCTJWSA-N 1 1 386.565 3.435 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247295137 1433701385 /nfs/dbraw/zinc/70/13/85/1433701385.db2.gz UJNZOQLNIIONPO-ZIFCJYIRSA-N 1 1 386.565 3.435 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247359461 1433712381 /nfs/dbraw/zinc/71/23/81/1433712381.db2.gz YQTDITZQAPDTPU-ONTIZHBOSA-N 1 1 382.552 3.355 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000247359480 1433712843 /nfs/dbraw/zinc/71/28/43/1433712843.db2.gz YQTDITZQAPDTPU-VWPQPMDRSA-N 1 1 382.552 3.355 20 30 GGEDMO C=C(Br)CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247365127 1433713164 /nfs/dbraw/zinc/71/31/64/1433713164.db2.gz KKCHIYOYYJUDNK-HALDLXJZSA-N 1 1 380.330 3.351 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247401631 1433716975 /nfs/dbraw/zinc/71/69/75/1433716975.db2.gz RKUSDEIDITVZLD-WOJBJXKFSA-N 1 1 392.503 3.077 20 30 GGEDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247580803 1433738833 /nfs/dbraw/zinc/73/88/33/1433738833.db2.gz LKLAMZIPSFMWHO-DLBZAZTESA-N 1 1 386.540 3.334 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000247664297 1433745259 /nfs/dbraw/zinc/74/52/59/1433745259.db2.gz VICLMBKQHQNMIE-UHFFFAOYSA-N 1 1 380.536 3.073 20 30 GGEDMO COc1ccc2cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)[nH]c2c1 ZINC000247953884 1433758834 /nfs/dbraw/zinc/75/88/34/1433758834.db2.gz NBEYZZUFIGMWJR-UHFFFAOYSA-N 1 1 388.471 3.396 20 30 GGEDMO COc1ccc2cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)[nH]c2c1 ZINC000247953884 1433758839 /nfs/dbraw/zinc/75/88/39/1433758839.db2.gz NBEYZZUFIGMWJR-UHFFFAOYSA-N 1 1 388.471 3.396 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC[C@H]21 ZINC000247993612 1433762151 /nfs/dbraw/zinc/76/21/51/1433762151.db2.gz JQPWLWWIFGENHG-PKOBYXMFSA-N 1 1 379.460 3.287 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC[C@H]21 ZINC000247993606 1433762223 /nfs/dbraw/zinc/76/22/23/1433762223.db2.gz JQPWLWWIFGENHG-IEBWSBKVSA-N 1 1 379.460 3.287 20 30 GGEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@H]1C ZINC000248333592 1433786891 /nfs/dbraw/zinc/78/68/91/1433786891.db2.gz FUOUHHZYVNDXNX-IXDOHACOSA-N 1 1 384.524 3.086 20 30 GGEDMO CCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000248388944 1433793112 /nfs/dbraw/zinc/79/31/12/1433793112.db2.gz AENILTILUSSHBV-XMSQKQJNSA-N 1 1 378.520 3.360 20 30 GGEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000248394018 1433794655 /nfs/dbraw/zinc/79/46/55/1433794655.db2.gz HFQLGAGFPMXNDI-PDXXHEQOSA-N 1 1 393.531 3.044 20 30 GGEDMO Cc1oc(NC(=O)CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000248394475 1433794809 /nfs/dbraw/zinc/79/48/09/1433794809.db2.gz HZYXYVIEEFKGTJ-BRLLKYFNSA-N 1 1 394.519 3.453 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)N(C)C1(C#N)CCCCC1 ZINC000248399195 1433796542 /nfs/dbraw/zinc/79/65/42/1433796542.db2.gz OLCFUIRMOMMJHV-NPHXMPSESA-N 1 1 396.579 3.417 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000248781627 1433822186 /nfs/dbraw/zinc/82/21/86/1433822186.db2.gz BYMXVTOKEYUDGG-PKOBYXMFSA-N 1 1 393.491 3.406 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248793276 1433822788 /nfs/dbraw/zinc/82/27/88/1433822788.db2.gz YHZAHPOHHLFYSC-JPYJTQIMSA-N 1 1 375.472 3.453 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248793276 1433822790 /nfs/dbraw/zinc/82/27/90/1433822790.db2.gz YHZAHPOHHLFYSC-JPYJTQIMSA-N 1 1 375.472 3.453 20 30 GGEDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248894897 1433828332 /nfs/dbraw/zinc/82/83/32/1433828332.db2.gz IPJYQJRIPBGXHN-IAGOWNOFSA-N 1 1 384.524 3.088 20 30 GGEDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248894897 1433828333 /nfs/dbraw/zinc/82/83/33/1433828333.db2.gz IPJYQJRIPBGXHN-IAGOWNOFSA-N 1 1 384.524 3.088 20 30 GGEDMO C=C(C)[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000249059638 1433833539 /nfs/dbraw/zinc/83/35/39/1433833539.db2.gz GFDFJRIQSSENKM-KDOFPFPSSA-N 1 1 381.467 3.069 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1C#N ZINC000249111879 1433835688 /nfs/dbraw/zinc/83/56/88/1433835688.db2.gz XZWVIBFUFSSBOS-HBCWATKFSA-N 1 1 398.482 3.277 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1C#N ZINC000249111879 1433835690 /nfs/dbraw/zinc/83/56/90/1433835690.db2.gz XZWVIBFUFSSBOS-HBCWATKFSA-N 1 1 398.482 3.277 20 30 GGEDMO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000249114394 1433835936 /nfs/dbraw/zinc/83/59/36/1433835936.db2.gz QFEHLWHHPRREAL-ZCNNSNEGSA-N 1 1 382.552 3.244 20 30 GGEDMO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000249114394 1433835937 /nfs/dbraw/zinc/83/59/37/1433835937.db2.gz QFEHLWHHPRREAL-ZCNNSNEGSA-N 1 1 382.552 3.244 20 30 GGEDMO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000249114394 1433835938 /nfs/dbraw/zinc/83/59/38/1433835938.db2.gz QFEHLWHHPRREAL-ZCNNSNEGSA-N 1 1 382.552 3.244 20 30 GGEDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1C ZINC000249150867 1433837489 /nfs/dbraw/zinc/83/74/89/1433837489.db2.gz XQDNTUPJVAQQSR-QWFCFKBJSA-N 1 1 385.508 3.070 20 30 GGEDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1C ZINC000249150867 1433837490 /nfs/dbraw/zinc/83/74/90/1433837490.db2.gz XQDNTUPJVAQQSR-QWFCFKBJSA-N 1 1 385.508 3.070 20 30 GGEDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000249150865 1433837574 /nfs/dbraw/zinc/83/75/74/1433837574.db2.gz XQDNTUPJVAQQSR-NLWGTHIKSA-N 1 1 385.508 3.070 20 30 GGEDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000249150865 1433837576 /nfs/dbraw/zinc/83/75/76/1433837576.db2.gz XQDNTUPJVAQQSR-NLWGTHIKSA-N 1 1 385.508 3.070 20 30 GGEDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1C ZINC000249150871 1433837596 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RNCBULQZFMNXQB-LJQANCHMSA-N 1 1 376.504 3.402 20 30 GGEDMO C=C(C)[C@H](NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000251682769 1433859701 /nfs/dbraw/zinc/85/97/01/1433859701.db2.gz NSELEZCBKVULTO-QRWLVFNGSA-N 1 1 393.478 3.477 20 30 GGEDMO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)Nc1ccc(F)cc1Cl ZINC000255009102 1433874048 /nfs/dbraw/zinc/87/40/48/1433874048.db2.gz BQDJWOGXIBYJFU-UHFFFAOYSA-N 1 1 391.830 3.305 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C=NOC)cc1 ZINC000255302328 1433879749 /nfs/dbraw/zinc/87/97/49/1433879749.db2.gz WXIVCVDRARWVRL-OAQYLSRUSA-N 1 1 395.503 3.499 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255501125 1433883613 /nfs/dbraw/zinc/88/36/13/1433883613.db2.gz AODXPTCHBOTTBB-IPTXASRGSA-N 1 1 392.543 3.486 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255501124 1433883645 /nfs/dbraw/zinc/88/36/45/1433883645.db2.gz AODXPTCHBOTTBB-AFBAXIAKSA-N 1 1 392.543 3.486 20 30 GGEDMO CC[C@@H](NC(=O)c1ccc(C=NOC)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000255756060 1433889183 /nfs/dbraw/zinc/88/91/83/1433889183.db2.gz PZPZMQIADIEMMX-FGZHOGPDSA-N 1 1 395.503 3.076 20 30 GGEDMO CC[C@@H](NC(=O)c1ccc(C=NOC)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000255756060 1433889184 /nfs/dbraw/zinc/88/91/84/1433889184.db2.gz PZPZMQIADIEMMX-FGZHOGPDSA-N 1 1 395.503 3.076 20 30 GGEDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000255953636 1433892438 /nfs/dbraw/zinc/89/24/38/1433892438.db2.gz IUQSYUMCWPJMCT-QUCCMNQESA-N 1 1 393.487 3.484 20 30 GGEDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000255953636 1433892440 /nfs/dbraw/zinc/89/24/40/1433892440.db2.gz IUQSYUMCWPJMCT-QUCCMNQESA-N 1 1 393.487 3.484 20 30 GGEDMO C[NH+]=C(NCC1(N2CCSCC2)CCCC1)N1CCC(OC(C)(C)C)CC1 ZINC000261815446 1433905488 /nfs/dbraw/zinc/90/54/88/1433905488.db2.gz TWUUEOZRFMDCFG-UHFFFAOYSA-N 1 1 396.645 3.203 20 30 GGEDMO CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000263683330 1434020527 /nfs/dbraw/zinc/02/05/27/1434020527.db2.gz JOSZXHCIULBEIY-IBGZPJMESA-N 1 1 398.551 3.011 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000263698498 1434022547 /nfs/dbraw/zinc/02/25/47/1434022547.db2.gz IEEWLTDCYUDOLT-ROUUACIJSA-N 1 1 391.581 3.280 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263784053 1434033442 /nfs/dbraw/zinc/03/34/42/1434033442.db2.gz ZKGQNWCAEPXXTA-OAHLLOKOSA-N 1 1 394.450 3.375 20 30 GGEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000263794211 1434034671 /nfs/dbraw/zinc/03/46/71/1434034671.db2.gz XYHIUOGPOMPSGE-HUUCEWRRSA-N 1 1 390.915 3.023 20 30 GGEDMO CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000263794211 1434034675 /nfs/dbraw/zinc/03/46/75/1434034675.db2.gz XYHIUOGPOMPSGE-HUUCEWRRSA-N 1 1 390.915 3.023 20 30 GGEDMO COc1cc(NC(=O)CC[N@@H+](C)Cc2cccc(C#N)c2)cc(OC)c1OC ZINC000263811452 1434036761 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395.528 3.187 20 30 GGEDMO N#CCOc1ccc(/C=C/C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000264301701 1434094761 /nfs/dbraw/zinc/09/47/61/1434094761.db2.gz MCGISFZZNUTHEE-NJTIBFSMSA-N 1 1 389.499 3.283 20 30 GGEDMO C[C@H](c1cccc(NCC(=O)Nc2ccc(CC#N)cc2)c1)[NH+]1CCOCC1 ZINC000264362185 1434102384 /nfs/dbraw/zinc/10/23/84/1434102384.db2.gz IYUGDGHMJBRLMT-QGZVFWFLSA-N 1 1 378.476 3.196 20 30 GGEDMO C[C@@H](c1cccc(NCC(=O)N(C)C2(C#N)CCCCC2)c1)[NH+]1CCOCC1 ZINC000264369540 1434103843 /nfs/dbraw/zinc/10/38/43/1434103843.db2.gz LONQXQFZNHKKSP-SFHVURJKSA-N 1 1 384.524 3.177 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000264467098 1434116510 /nfs/dbraw/zinc/11/65/10/1434116510.db2.gz MGASOLKCHDOZAT-JKSUJKDBSA-N 1 1 389.521 3.104 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000264467098 1434116512 /nfs/dbraw/zinc/11/65/12/1434116512.db2.gz MGASOLKCHDOZAT-JKSUJKDBSA-N 1 1 389.521 3.104 20 30 GGEDMO COc1cc(NC(=O)CC[N@@H+](CCC#N)CC(C)(C)C)cc(OC)c1OC ZINC000264607988 1434134344 /nfs/dbraw/zinc/13/43/44/1434134344.db2.gz IHYHNFPFQNPYAF-UHFFFAOYSA-N 1 1 377.485 3.303 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3cccc(OCC#N)c3)CC2)oc1C ZINC000264766453 1434153155 /nfs/dbraw/zinc/15/31/55/1434153155.db2.gz VNZZKRMCOWYLPA-UHFFFAOYSA-N 1 1 397.479 3.228 20 30 GGEDMO COc1cc(F)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000265129347 1434188373 /nfs/dbraw/zinc/18/83/73/1434188373.db2.gz GMFXBAHSRSARID-ACJLOTCBSA-N 1 1 383.423 3.171 20 30 GGEDMO COC(=O)CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000265142196 1434190038 /nfs/dbraw/zinc/19/00/38/1434190038.db2.gz MCZXTFOUYKUTHZ-HNNXBMFYSA-N 1 1 377.510 3.293 20 30 GGEDMO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc2C1 ZINC000265164245 1434192696 /nfs/dbraw/zinc/19/26/96/1434192696.db2.gz SHTFCKULCNJIMT-PKOBYXMFSA-N 1 1 386.455 3.001 20 30 GGEDMO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc2C1 ZINC000265164245 1434192697 /nfs/dbraw/zinc/19/26/97/1434192697.db2.gz SHTFCKULCNJIMT-PKOBYXMFSA-N 1 1 386.455 3.001 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000265250187 1434207267 /nfs/dbraw/zinc/20/72/67/1434207267.db2.gz QQCFKQJSXNPOFL-DENIHFKCSA-N 1 1 398.551 3.393 20 30 GGEDMO N#Cc1c(NC(=O)CN2CCC(c3[nH]cc[nH+]3)CC2)sc2c1CCCCC2 ZINC000265556967 1434245702 /nfs/dbraw/zinc/24/57/02/1434245702.db2.gz ZXKTZPOMEBUHCA-UHFFFAOYSA-N 1 1 383.521 3.430 20 30 GGEDMO Cc1ccc(NCCCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)[nH+]c1 ZINC000265594727 1434249062 /nfs/dbraw/zinc/24/90/62/1434249062.db2.gz KZRXNLYLGUQSCF-UHFFFAOYSA-N 1 1 393.491 3.035 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265848145 1434272262 /nfs/dbraw/zinc/27/22/62/1434272262.db2.gz PEJFNCLNDLHUJV-HLLBOEOZSA-N 1 1 386.496 3.120 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265848145 1434272265 /nfs/dbraw/zinc/27/22/65/1434272265.db2.gz PEJFNCLNDLHUJV-HLLBOEOZSA-N 1 1 386.496 3.120 20 30 GGEDMO COCCCOC1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000265976805 1434291406 /nfs/dbraw/zinc/29/14/06/1434291406.db2.gz CBDIEIZIILGVFO-UHFFFAOYSA-N 1 1 387.524 3.068 20 30 GGEDMO N#C[C@@H](C(=O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000265982387 1434291903 /nfs/dbraw/zinc/29/19/03/1434291903.db2.gz FWWAISUZOVITED-MJGOQNOKSA-N 1 1 386.455 3.076 20 30 GGEDMO N#C[C@@H](C(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000265982387 1434291907 /nfs/dbraw/zinc/29/19/07/1434291907.db2.gz FWWAISUZOVITED-MJGOQNOKSA-N 1 1 386.455 3.076 20 30 GGEDMO COCCCOC1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000265988301 1434293156 /nfs/dbraw/zinc/29/31/56/1434293156.db2.gz IGYXIGXLOVYFJT-UHFFFAOYSA-N 1 1 387.524 3.068 20 30 GGEDMO CC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266046105 1434299331 /nfs/dbraw/zinc/29/93/31/1434299331.db2.gz XMERRLNWJFSFNT-IEBWSBKVSA-N 1 1 388.471 3.465 20 30 GGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266046105 1434299334 /nfs/dbraw/zinc/29/93/34/1434299334.db2.gz XMERRLNWJFSFNT-IEBWSBKVSA-N 1 1 388.471 3.465 20 30 GGEDMO CC(C)Cn1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000266415539 1434333239 /nfs/dbraw/zinc/33/32/39/1434333239.db2.gz SJFFEPUABJNYBA-UHFFFAOYSA-N 1 1 380.496 3.151 20 30 GGEDMO CC(C)Cn1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000266415539 1434333242 /nfs/dbraw/zinc/33/32/42/1434333242.db2.gz SJFFEPUABJNYBA-UHFFFAOYSA-N 1 1 380.496 3.151 20 30 GGEDMO C=CCc1cc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc(OC)c1OC ZINC000266642101 1434357757 /nfs/dbraw/zinc/35/77/57/1434357757.db2.gz LHQSPGFVCKXPQC-UHFFFAOYSA-N 1 1 397.475 3.185 20 30 GGEDMO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000266771581 1434373640 /nfs/dbraw/zinc/37/36/40/1434373640.db2.gz XJRWXBZDHFNGAI-UHFFFAOYSA-N 1 1 397.479 3.345 20 30 GGEDMO C#CC[N@@H+](CC)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000266898825 1434386691 /nfs/dbraw/zinc/38/66/91/1434386691.db2.gz FZXVSEFGQQCQEA-UHFFFAOYSA-N 1 1 379.460 3.231 20 30 GGEDMO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000266952395 1434392140 /nfs/dbraw/zinc/39/21/40/1434392140.db2.gz HJHJUOGBWJERGX-UGKGYDQZSA-N 1 1 395.503 3.256 20 30 GGEDMO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000266952389 1434392280 /nfs/dbraw/zinc/39/22/80/1434392280.db2.gz HJHJUOGBWJERGX-KNQAVFIVSA-N 1 1 395.503 3.256 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000266988574 1434396329 /nfs/dbraw/zinc/39/63/29/1434396329.db2.gz WTYPSAACMAEYBX-XLIONFOSSA-N 1 1 398.894 3.216 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1)CC(F)(F)F ZINC000267103036 1434407710 /nfs/dbraw/zinc/40/77/10/1434407710.db2.gz OXZLXZJJQDTJAB-QGZVFWFLSA-N 1 1 396.457 3.139 20 30 GGEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCCN(CC#N)C2)c1 ZINC000267144414 1434410393 /nfs/dbraw/zinc/41/03/93/1434410393.db2.gz ZLUIYELVASMXAA-QFIPXVFZSA-N 1 1 390.531 3.284 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000267310994 1434421675 /nfs/dbraw/zinc/42/16/75/1434421675.db2.gz IEPYKJPIXVQXPO-PGRDOPGGSA-N 1 1 392.503 3.299 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000267492587 1434440380 /nfs/dbraw/zinc/44/03/80/1434440380.db2.gz WLSNNPKAQUJEAW-AVRDEDQJSA-N 1 1 377.488 3.158 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000267492604 1434440394 /nfs/dbraw/zinc/44/03/94/1434440394.db2.gz WLSNNPKAQUJEAW-PGRDOPGGSA-N 1 1 377.488 3.158 20 30 GGEDMO COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000267549296 1434445379 /nfs/dbraw/zinc/44/53/79/1434445379.db2.gz CLBZMVAQTFZHMP-XHDPSFHLSA-N 1 1 389.452 3.232 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000269128901 1434595476 /nfs/dbraw/zinc/59/54/76/1434595476.db2.gz IJBRKWLWAWEETJ-UHFFFAOYSA-N 1 1 387.487 3.369 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(Cl)c1 ZINC000269146800 1434597244 /nfs/dbraw/zinc/59/72/44/1434597244.db2.gz PPYQBRDESDEMFV-IEBWSBKVSA-N 1 1 398.894 3.216 20 30 GGEDMO N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)c1 ZINC000269695252 1434669905 /nfs/dbraw/zinc/66/99/05/1434669905.db2.gz OTHTYADUBDMROM-OAQYLSRUSA-N 1 1 394.519 3.142 20 30 GGEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)C1 ZINC000269854858 1434681572 /nfs/dbraw/zinc/68/15/72/1434681572.db2.gz SBNCDNHLPZGSDD-OAHLLOKOSA-N 1 1 387.484 3.322 20 30 GGEDMO C#CC[C@@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000270118403 1434705049 /nfs/dbraw/zinc/70/50/49/1434705049.db2.gz JMJKFFONTPXZJG-RTWAWAEBSA-N 1 1 390.487 3.022 20 30 GGEDMO C#CC[C@@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000270118403 1434705050 /nfs/dbraw/zinc/70/50/50/1434705050.db2.gz JMJKFFONTPXZJG-RTWAWAEBSA-N 1 1 390.487 3.022 20 30 GGEDMO C=C[C@@H](CC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1)c1ccccc1 ZINC000270299068 1434720882 /nfs/dbraw/zinc/72/08/82/1434720882.db2.gz NKJBJDMBAZQEPM-QFIPXVFZSA-N 1 1 393.531 3.492 20 30 GGEDMO C#CC[C@@H](NC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccccc1 ZINC000270355565 1434725844 /nfs/dbraw/zinc/72/58/44/1434725844.db2.gz WYMPJXDPVDCXCQ-HXUWFJFHSA-N 1 1 377.492 3.126 20 30 GGEDMO C#CC[C@@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000270411480 1434731266 /nfs/dbraw/zinc/73/12/66/1434731266.db2.gz LMNFFGILEJMMTH-XQBPLPMBSA-N 1 1 383.536 3.282 20 30 GGEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2)C1 ZINC000270531553 1434741738 /nfs/dbraw/zinc/74/17/38/1434741738.db2.gz VQDSCGATKPMMNM-GOSISDBHSA-N 1 1 393.487 3.491 20 30 GGEDMO COc1ccc(CNCc2ccnc(OCC[NH+](C)C)c2)cc1OCCCC#N ZINC000270710543 1434765247 /nfs/dbraw/zinc/76/52/47/1434765247.db2.gz LIFWXNYHYMRNDA-UHFFFAOYSA-N 1 1 398.507 3.003 20 30 GGEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000270821076 1434778536 /nfs/dbraw/zinc/77/85/36/1434778536.db2.gz IEVGNZDNYCRZHI-MZYLBHOOSA-N 1 1 378.516 3.346 20 30 GGEDMO COc1ccc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)cc1OCCCC#N ZINC000271112570 1434802562 /nfs/dbraw/zinc/80/25/62/1434802562.db2.gz AIHVWNSQPGBFEZ-NRFANRHFSA-N 1 1 398.503 3.387 20 30 GGEDMO COc1ccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)cc1OCCCC#N ZINC000271167938 1434805874 /nfs/dbraw/zinc/80/58/74/1434805874.db2.gz CPBLFZLQRSPYBD-UHFFFAOYSA-N 1 1 389.540 3.168 20 30 GGEDMO C[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000271729970 1434846686 /nfs/dbraw/zinc/84/66/86/1434846686.db2.gz ZORZFFPPZSNMMP-SFHVURJKSA-N 1 1 376.504 3.121 20 30 GGEDMO CC(C)C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271981053 1434863280 /nfs/dbraw/zinc/86/32/80/1434863280.db2.gz OWNBDTFJYYIMGM-FGZHOGPDSA-N 1 1 398.551 3.369 20 30 GGEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000271993164 1434864349 /nfs/dbraw/zinc/86/43/49/1434864349.db2.gz FMFJACGKQJWBEC-IBGZPJMESA-N 1 1 377.488 3.447 20 30 GGEDMO Cc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nn1CCC#N ZINC000272007140 1434865203 /nfs/dbraw/zinc/86/52/03/1434865203.db2.gz AAOPKIXMXOBPHL-UHFFFAOYSA-N 1 1 380.496 3.234 20 30 GGEDMO COC(=O)[C@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000272183090 1434876630 /nfs/dbraw/zinc/87/66/30/1434876630.db2.gz ITQOJLVGRACYHT-ZPMCFJSWSA-N 1 1 377.488 3.273 20 30 GGEDMO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000272284178 1434884286 /nfs/dbraw/zinc/88/42/86/1434884286.db2.gz GAEKUTYNDKZZMR-MJGOQNOKSA-N 1 1 393.491 3.440 20 30 GGEDMO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000272284178 1434884288 /nfs/dbraw/zinc/88/42/88/1434884288.db2.gz GAEKUTYNDKZZMR-MJGOQNOKSA-N 1 1 393.491 3.440 20 30 GGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000272300415 1434885600 /nfs/dbraw/zinc/88/56/00/1434885600.db2.gz PPVJWIFRBXAZJZ-UHFFFAOYSA-N 1 1 395.503 3.187 20 30 GGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000272300415 1434885602 /nfs/dbraw/zinc/88/56/02/1434885602.db2.gz PPVJWIFRBXAZJZ-UHFFFAOYSA-N 1 1 395.503 3.187 20 30 GGEDMO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000272309327 1434886157 /nfs/dbraw/zinc/88/61/57/1434886157.db2.gz FSASBCHCXXRXPI-QUCCMNQESA-N 1 1 377.529 3.157 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272363576 1434890669 /nfs/dbraw/zinc/89/06/69/1434890669.db2.gz FSVJRHNYSUTTAU-XLIONFOSSA-N 1 1 382.508 3.059 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000272444826 1434896801 /nfs/dbraw/zinc/89/68/01/1434896801.db2.gz JAIXPEWDNNJIER-ZOBUZTSGSA-N 1 1 386.496 3.120 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000272444826 1434896802 /nfs/dbraw/zinc/89/68/02/1434896802.db2.gz JAIXPEWDNNJIER-ZOBUZTSGSA-N 1 1 386.496 3.120 20 30 GGEDMO Cc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272451177 1434897182 /nfs/dbraw/zinc/89/71/82/1434897182.db2.gz PQFZBSQGKPNJIQ-HKUYNNGSSA-N 1 1 380.496 3.137 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000272489334 1434899994 /nfs/dbraw/zinc/89/99/94/1434899994.db2.gz MYERYLLTXXHGLU-WBVHZDCISA-N 1 1 386.496 3.122 20 30 GGEDMO COCC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccco1 ZINC000272532701 1434904922 /nfs/dbraw/zinc/90/49/22/1434904922.db2.gz ZCXVYDXNYXJOFJ-SJORKVTESA-N 1 1 385.464 3.291 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000272592111 1434911921 /nfs/dbraw/zinc/91/19/21/1434911921.db2.gz XKHCADXZOMPRDS-PBHICJAKSA-N 1 1 397.479 3.343 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000272592111 1434911924 /nfs/dbraw/zinc/91/19/24/1434911924.db2.gz XKHCADXZOMPRDS-PBHICJAKSA-N 1 1 397.479 3.343 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000272592125 1434912062 /nfs/dbraw/zinc/91/20/62/1434912062.db2.gz XKHCADXZOMPRDS-YOEHRIQHSA-N 1 1 397.479 3.343 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000272592125 1434912065 /nfs/dbraw/zinc/91/20/65/1434912065.db2.gz XKHCADXZOMPRDS-YOEHRIQHSA-N 1 1 397.479 3.343 20 30 GGEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(C#N)c1C ZINC000272592770 1434912253 /nfs/dbraw/zinc/91/22/53/1434912253.db2.gz SFCVSTLASZBRLK-AWEZNQCLSA-N 1 1 394.504 3.449 20 30 GGEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(C#N)c1C ZINC000272592770 1434912258 /nfs/dbraw/zinc/91/22/58/1434912258.db2.gz SFCVSTLASZBRLK-AWEZNQCLSA-N 1 1 394.504 3.449 20 30 GGEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnc([C@H]4CCCO4)s3)C2=O)cc1 ZINC000272621351 1434916227 /nfs/dbraw/zinc/91/62/27/1434916227.db2.gz WGAOLBCASVIGTD-ZWKOTPCHSA-N 1 1 382.489 3.151 20 30 GGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000272687576 1434922673 /nfs/dbraw/zinc/92/26/73/1434922673.db2.gz PORLFBHWDNHSPZ-MRXNPFEDSA-N 1 1 384.505 3.431 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(CCCO)CC2)c1C#N ZINC000272888708 1434938790 /nfs/dbraw/zinc/93/87/90/1434938790.db2.gz DLQUEVVFJPFVLP-UHFFFAOYSA-N 1 1 398.507 3.041 20 30 GGEDMO C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1=CC[N@@H+](C)CC1 ZINC000272904749 1434939984 /nfs/dbraw/zinc/93/99/84/1434939984.db2.gz CSOJFRPVMTWZAW-AWEZNQCLSA-N 1 1 381.505 3.377 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3cc(C)[nH]n3)CC2)c(OC)c1 ZINC000273016921 1434950507 /nfs/dbraw/zinc/95/05/07/1434950507.db2.gz RMNZQBCMFRJDRD-IBGZPJMESA-N 1 1 385.508 3.075 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000273024146 1434951590 /nfs/dbraw/zinc/95/15/90/1434951590.db2.gz UFQJXZSSBNFCJC-QGZVFWFLSA-N 1 1 382.508 3.273 20 30 GGEDMO Cc1cc(C2CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)n[nH]1 ZINC000273042954 1434954204 /nfs/dbraw/zinc/95/42/04/1434954204.db2.gz XFESYENAUHRYHJ-UHFFFAOYSA-N 1 1 385.899 3.498 20 30 GGEDMO Cc1cc(C2CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)[nH]n1 ZINC000273042954 1434954207 /nfs/dbraw/zinc/95/42/07/1434954207.db2.gz XFESYENAUHRYHJ-UHFFFAOYSA-N 1 1 385.899 3.498 20 30 GGEDMO N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000273059570 1434956174 /nfs/dbraw/zinc/95/61/74/1434956174.db2.gz CWIZNOSUYMLQPI-INIZCTEOSA-N 1 1 376.382 3.151 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)c2nccs2)c(OC)c1 ZINC000273097824 1434960399 /nfs/dbraw/zinc/96/03/99/1434960399.db2.gz VAABYDMRWGQXPW-DOTOQJQBSA-N 1 1 376.522 3.355 20 30 GGEDMO CC(=O)c1ccc(C#N)c(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000273169075 1434968555 /nfs/dbraw/zinc/96/85/55/1434968555.db2.gz DNJXBPDFQXKQJV-OAQYLSRUSA-N 1 1 390.487 3.070 20 30 GGEDMO Cc1cc(-c2noc([C@H](C)[NH2+]C[C@H](O)COc3ccc(C#N)cc3)n2)ccc1F ZINC000273314231 1434980100 /nfs/dbraw/zinc/98/01/00/1434980100.db2.gz NXGGOBGLDMPDDW-YOEHRIQHSA-N 1 1 396.422 3.146 20 30 GGEDMO Cc1cc(C#N)ccc1-c1nc(-c2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)no1 ZINC000273888387 1435025508 /nfs/dbraw/zinc/02/55/08/1435025508.db2.gz OGAQSYWVXAAYFA-IBGZPJMESA-N 1 1 387.443 3.033 20 30 GGEDMO Cc1oc(NC(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274881112 1435100666 /nfs/dbraw/zinc/10/06/66/1435100666.db2.gz ZRVCNWLYYCXPNT-FOIQADDNSA-N 1 1 380.492 3.207 20 30 GGEDMO COc1ccc(-c2ccncc2)cc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000274932123 1435104338 /nfs/dbraw/zinc/10/43/38/1435104338.db2.gz XXTFGURLJDKERV-UHFFFAOYSA-N 1 1 385.471 3.346 20 30 GGEDMO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc2ccccc2n1C(F)F ZINC000275426321 1435138576 /nfs/dbraw/zinc/13/85/76/1435138576.db2.gz GULZPLIRFKNLLT-ZDUSSCGKSA-N 1 1 375.423 3.425 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc2ccccc2n1C(F)F ZINC000275426317 1435138592 /nfs/dbraw/zinc/13/85/92/1435138592.db2.gz GULZPLIRFKNLLT-CYBMUJFWSA-N 1 1 375.423 3.425 20 30 GGEDMO CCOCCOCC[N@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000276234365 1435199212 /nfs/dbraw/zinc/19/92/12/1435199212.db2.gz LDVFBLCODZKDDG-MRXNPFEDSA-N 1 1 379.526 3.004 20 30 GGEDMO CCOCCOCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000276234365 1435199213 /nfs/dbraw/zinc/19/92/13/1435199213.db2.gz LDVFBLCODZKDDG-MRXNPFEDSA-N 1 1 379.526 3.004 20 30 GGEDMO CCS(=O)(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000276342077 1435205910 /nfs/dbraw/zinc/20/59/10/1435205910.db2.gz SGCJDJSYNPBZOU-UHFFFAOYSA-N 1 1 383.517 3.064 20 30 GGEDMO CCS(=O)(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000276342077 1435205914 /nfs/dbraw/zinc/20/59/14/1435205914.db2.gz SGCJDJSYNPBZOU-UHFFFAOYSA-N 1 1 383.517 3.064 20 30 GGEDMO C=CCC[N@H+](C)CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000276374196 1435207833 /nfs/dbraw/zinc/20/78/33/1435207833.db2.gz HFHDRLFSLGBJAO-UHFFFAOYSA-N 1 1 397.475 3.403 20 30 GGEDMO CCOC1CC(CNc2ccc(C(F)(F)F)c(C#N)c2)([NH+]2CCOCC2)C1 ZINC000277803751 1435331976 /nfs/dbraw/zinc/33/19/76/1435331976.db2.gz HGMWBTACBNOUMU-UHFFFAOYSA-N 1 1 383.414 3.259 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000277976588 1435347162 /nfs/dbraw/zinc/34/71/62/1435347162.db2.gz LYKFILLVYMZUSX-UHFFFAOYSA-N 1 1 394.475 3.381 20 30 GGEDMO Cc1c[nH+]ccc1OC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000278531279 1435397567 /nfs/dbraw/zinc/39/75/67/1435397567.db2.gz FBENUEDUFITUQH-UHFFFAOYSA-N 1 1 384.867 3.397 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000278567309 1435400963 /nfs/dbraw/zinc/40/09/63/1435400963.db2.gz BPAAWFORNSBBLM-UHFFFAOYSA-N 1 1 390.447 3.097 20 30 GGEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000278940191 1435442479 /nfs/dbraw/zinc/44/24/79/1435442479.db2.gz XMQIBOBUMJOWQC-CYBMUJFWSA-N 1 1 396.413 3.294 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCSCC[C@H]2C)c1C#N ZINC000279153533 1435465622 /nfs/dbraw/zinc/46/56/22/1435465622.db2.gz AQTVPKOBTKISAL-CQSZACIVSA-N 1 1 386.521 3.384 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCSCC[C@H]2C)c1C#N ZINC000279153533 1435465623 /nfs/dbraw/zinc/46/56/23/1435465623.db2.gz AQTVPKOBTKISAL-CQSZACIVSA-N 1 1 386.521 3.384 20 30 GGEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000279197144 1435470298 /nfs/dbraw/zinc/47/02/98/1435470298.db2.gz IQNBIALOMGCLOH-IBGZPJMESA-N 1 1 387.915 3.004 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000279198610 1435470566 /nfs/dbraw/zinc/47/05/66/1435470566.db2.gz FULGUGSYGZUALM-OAQYLSRUSA-N 1 1 384.451 3.118 20 30 GGEDMO C[C@H](c1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1)[NH+]1CCOCC1 ZINC000279212869 1435472201 /nfs/dbraw/zinc/47/22/01/1435472201.db2.gz CAOHTAXVELXOTL-DYESRHJHSA-N 1 1 388.471 3.272 20 30 GGEDMO C[C@@H](c1ccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1)[NH+]1CCOCC1 ZINC000279212873 1435472244 /nfs/dbraw/zinc/47/22/44/1435472244.db2.gz CAOHTAXVELXOTL-LAUBAEHRSA-N 1 1 388.471 3.272 20 30 GGEDMO COC(=O)c1ccc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000279325351 1435486690 /nfs/dbraw/zinc/48/66/90/1435486690.db2.gz CCJDCSFZWUWXIS-UHFFFAOYSA-N 1 1 389.459 3.277 20 30 GGEDMO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000279343206 1435489022 /nfs/dbraw/zinc/48/90/22/1435489022.db2.gz FIWUHFKLUKJFJB-UHFFFAOYSA-N 1 1 381.524 3.006 20 30 GGEDMO N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)on2)c1 ZINC000279364018 1435491196 /nfs/dbraw/zinc/49/11/96/1435491196.db2.gz FCIHMNWGJWJDKR-OYRHEFFESA-N 1 1 398.466 3.417 20 30 GGEDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279370722 1435491998 /nfs/dbraw/zinc/49/19/98/1435491998.db2.gz IXFGGOYMGFAXGZ-INIZCTEOSA-N 1 1 398.511 3.204 20 30 GGEDMO C=C[C@](C)(O)CC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279413421 1435496523 /nfs/dbraw/zinc/49/65/23/1435496523.db2.gz KRBGWTCZKWWMIK-HKUYNNGSSA-N 1 1 384.442 3.227 20 30 GGEDMO CN(CC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1)C(=O)OC(C)(C)C ZINC000279478320 1435503603 /nfs/dbraw/zinc/50/36/03/1435503603.db2.gz WMXLBVBTMYTPNR-UHFFFAOYSA-N 1 1 398.511 3.157 20 30 GGEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](CCO)c1ccccc1 ZINC000279503882 1435506823 /nfs/dbraw/zinc/50/68/23/1435506823.db2.gz ZQGONVWAPYSPJH-OAQYLSRUSA-N 1 1 375.476 3.414 20 30 GGEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000279697968 1435531344 /nfs/dbraw/zinc/53/13/44/1435531344.db2.gz JACLVSDCUZKZCJ-PMACEKPBSA-N 1 1 376.460 3.177 20 30 GGEDMO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000279728235 1435535602 /nfs/dbraw/zinc/53/56/02/1435535602.db2.gz NHKOCYJBIBIMTL-ICSRJNTNSA-N 1 1 383.515 3.266 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1C#N ZINC000279742123 1435537102 /nfs/dbraw/zinc/53/71/02/1435537102.db2.gz KQCZIGCPLHTVFZ-YJBOKZPZSA-N 1 1 398.507 3.182 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1C#N ZINC000279742123 1435537103 /nfs/dbraw/zinc/53/71/03/1435537103.db2.gz KQCZIGCPLHTVFZ-YJBOKZPZSA-N 1 1 398.507 3.182 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000279742114 1435537224 /nfs/dbraw/zinc/53/72/24/1435537224.db2.gz KQCZIGCPLHTVFZ-CRAIPNDOSA-N 1 1 398.507 3.182 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000279742114 1435537229 /nfs/dbraw/zinc/53/72/29/1435537229.db2.gz KQCZIGCPLHTVFZ-CRAIPNDOSA-N 1 1 398.507 3.182 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000279781268 1435542256 /nfs/dbraw/zinc/54/22/56/1435542256.db2.gz FOHHEUBZFLNSQL-IRLDBZIGSA-N 1 1 391.515 3.101 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000279781265 1435542284 /nfs/dbraw/zinc/54/22/84/1435542284.db2.gz FOHHEUBZFLNSQL-IFMALSPDSA-N 1 1 391.515 3.101 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000279783300 1435542627 /nfs/dbraw/zinc/54/26/27/1435542627.db2.gz LMXQKJZCESNVQD-KDURUIRLSA-N 1 1 382.552 3.118 20 30 GGEDMO C[NH+](C)[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000279988665 1435573045 /nfs/dbraw/zinc/57/30/45/1435573045.db2.gz OQVKFAYLBBYULT-FXAWDEMLSA-N 1 1 380.879 3.313 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@](C)(O)CC3)sc2C1 ZINC000280086648 1435589686 /nfs/dbraw/zinc/58/96/86/1435589686.db2.gz OFAIAVIBTXDTTN-JLTOFOAXSA-N 1 1 375.538 3.310 20 30 GGEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)sc2C1 ZINC000280119881 1435595386 /nfs/dbraw/zinc/59/53/86/1435595386.db2.gz UMKQXVIGOIWITI-MRXNPFEDSA-N 1 1 379.489 3.102 20 30 GGEDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)sc2C1 ZINC000280119881 1435595393 /nfs/dbraw/zinc/59/53/93/1435595393.db2.gz UMKQXVIGOIWITI-MRXNPFEDSA-N 1 1 379.489 3.102 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000280171913 1435603383 /nfs/dbraw/zinc/60/33/83/1435603383.db2.gz SNYSYFUTJZSEGB-SXSPYAJSSA-N 1 1 386.499 3.410 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)c1C ZINC000280288140 1435627002 /nfs/dbraw/zinc/62/70/02/1435627002.db2.gz DZEWFDOWWKWOMZ-OAQYLSRUSA-N 1 1 392.503 3.099 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)c1C ZINC000280288140 1435627007 /nfs/dbraw/zinc/62/70/07/1435627007.db2.gz DZEWFDOWWKWOMZ-OAQYLSRUSA-N 1 1 392.503 3.099 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355859 1435643078 /nfs/dbraw/zinc/64/30/78/1435643078.db2.gz IQGNLQFGSDQXFV-CVDCTZTESA-N 1 1 386.499 3.364 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC2(CCOCC2)O1 ZINC000280382838 1435649543 /nfs/dbraw/zinc/64/95/43/1435649543.db2.gz FPCWZVMASDLLJZ-SFHVURJKSA-N 1 1 380.492 3.234 20 30 GGEDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](C)O2 ZINC000280462512 1435664931 /nfs/dbraw/zinc/66/49/31/1435664931.db2.gz MJQLJOQLRGGZGK-HMFYCAOWSA-N 1 1 380.492 3.232 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000280472128 1435666570 /nfs/dbraw/zinc/66/65/70/1435666570.db2.gz CRZXEQJELKDMDU-HXUWFJFHSA-N 1 1 390.487 3.190 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000280472128 1435666578 /nfs/dbraw/zinc/66/65/78/1435666578.db2.gz CRZXEQJELKDMDU-HXUWFJFHSA-N 1 1 390.487 3.190 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000280540647 1435676403 /nfs/dbraw/zinc/67/64/03/1435676403.db2.gz JFOOADWHYMBZNY-UHFFFAOYSA-N 1 1 397.441 3.215 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000280554725 1435678808 /nfs/dbraw/zinc/67/88/08/1435678808.db2.gz IZDGJESWLOBXPF-GOSISDBHSA-N 1 1 376.451 3.211 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280709156 1435707467 /nfs/dbraw/zinc/70/74/67/1435707467.db2.gz JCZWLNHAHPNOOH-HOCLYGCPSA-N 1 1 391.821 3.036 20 30 GGEDMO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccc1Cl ZINC000280998520 1435753962 /nfs/dbraw/zinc/75/39/62/1435753962.db2.gz NQOLEDWLEYGAID-KRWDZBQOSA-N 1 1 388.899 3.063 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000281088854 1435772287 /nfs/dbraw/zinc/77/22/87/1435772287.db2.gz PVILIRPGQBJHIZ-LPHOPBHVSA-N 1 1 375.538 3.338 20 30 GGEDMO CN(C(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1)c1ccccc1 ZINC000281162502 1435786771 /nfs/dbraw/zinc/78/67/71/1435786771.db2.gz PVSSHKHISWQUOL-MRXNPFEDSA-N 1 1 396.878 3.135 20 30 GGEDMO CN(C(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1)c1ccccc1 ZINC000281162502 1435786772 /nfs/dbraw/zinc/78/67/72/1435786772.db2.gz PVSSHKHISWQUOL-MRXNPFEDSA-N 1 1 396.878 3.135 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)cc(F)c3N)CC2)cc1 ZINC000281257780 1435801119 /nfs/dbraw/zinc/80/11/19/1435801119.db2.gz VBGKNRXVZMPQPP-UHFFFAOYSA-N 1 1 386.858 3.281 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)cc(F)c3N)CC2)cc1 ZINC000281257780 1435801120 /nfs/dbraw/zinc/80/11/20/1435801120.db2.gz VBGKNRXVZMPQPP-UHFFFAOYSA-N 1 1 386.858 3.281 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000281286566 1435802342 /nfs/dbraw/zinc/80/23/42/1435802342.db2.gz OUCRBLNTENQLKA-QUCCMNQESA-N 1 1 391.519 3.471 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000281286559 1435802361 /nfs/dbraw/zinc/80/23/61/1435802361.db2.gz OUCRBLNTENQLKA-AZUAARDMSA-N 1 1 391.519 3.471 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000281352779 1435805125 /nfs/dbraw/zinc/80/51/25/1435805125.db2.gz WWVYTWSBWKGRDO-RBBKRZOGSA-N 1 1 391.515 3.101 20 30 GGEDMO C=C(C)[C@H]([NH2+]Cc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccc(F)c(F)c1 ZINC000281432934 1435808799 /nfs/dbraw/zinc/80/87/99/1435808799.db2.gz YWNRKUGIJPEWKD-IBGZPJMESA-N 1 1 397.491 3.230 20 30 GGEDMO C[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000281504665 1435811685 /nfs/dbraw/zinc/81/16/85/1435811685.db2.gz WYPXKOUJYBWMMH-SJLPKXTDSA-N 1 1 377.492 3.127 20 30 GGEDMO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281530362 1435812437 /nfs/dbraw/zinc/81/24/37/1435812437.db2.gz TTZZJNIFEYWEIC-UHFFFAOYSA-N 1 1 389.883 3.190 20 30 GGEDMO C[N@H+]1CCN(CCNC(=O)c2ccccc2Oc2ccccc2C#N)CC1(C)C ZINC000281731514 1435819899 /nfs/dbraw/zinc/81/98/99/1435819899.db2.gz JILHOZNARMPVHE-UHFFFAOYSA-N 1 1 392.503 3.106 20 30 GGEDMO N#CC1(CCC[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)CCOCC1 ZINC000281989840 1435829923 /nfs/dbraw/zinc/82/99/23/1435829923.db2.gz MQWAUTJXYKKSFG-UHFFFAOYSA-N 1 1 383.536 3.254 20 30 GGEDMO N#Cc1cccc(-n2ccc(C(=O)N3C[C@H]4CCC[N@H+]4Cc4ccccc43)n2)c1 ZINC000282012481 1435830935 /nfs/dbraw/zinc/83/09/35/1435830935.db2.gz XACJLGFWMSKSAB-HXUWFJFHSA-N 1 1 383.455 3.369 20 30 GGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000282099206 1435834499 /nfs/dbraw/zinc/83/44/99/1435834499.db2.gz VYHIETSVSPRZKQ-SFHVURJKSA-N 1 1 375.900 3.478 20 30 GGEDMO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000282157566 1435836762 /nfs/dbraw/zinc/83/67/62/1435836762.db2.gz CQCKWUDEWHBCTM-GOSISDBHSA-N 1 1 399.539 3.220 20 30 GGEDMO C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000282265477 1435840798 /nfs/dbraw/zinc/84/07/98/1435840798.db2.gz LSZJAKHAPILPTR-LJQANCHMSA-N 1 1 394.523 3.083 20 30 GGEDMO C#CCN(C)C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000282362692 1435844539 /nfs/dbraw/zinc/84/45/39/1435844539.db2.gz BKAXFXAERPXSJP-UHFFFAOYSA-N 1 1 393.487 3.359 20 30 GGEDMO C#CCN(C)C(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000282362692 1435844541 /nfs/dbraw/zinc/84/45/41/1435844541.db2.gz BKAXFXAERPXSJP-UHFFFAOYSA-N 1 1 393.487 3.359 20 30 GGEDMO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000282424472 1435846648 /nfs/dbraw/zinc/84/66/48/1435846648.db2.gz GYSWPAOEQUEJMY-UHFFFAOYSA-N 1 1 393.516 3.159 20 30 GGEDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000282424472 1435846649 /nfs/dbraw/zinc/84/66/49/1435846649.db2.gz GYSWPAOEQUEJMY-UHFFFAOYSA-N 1 1 393.516 3.159 20 30 GGEDMO C=CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000282469191 1435848292 /nfs/dbraw/zinc/84/82/92/1435848292.db2.gz BOESJTNIDMMWIB-KRWDZBQOSA-N 1 1 387.503 3.350 20 30 GGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000282475260 1435848602 /nfs/dbraw/zinc/84/86/02/1435848602.db2.gz DVYXVCXMUOPVBX-NRFANRHFSA-N 1 1 399.498 3.338 20 30 GGEDMO Cc1csc(CCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000282920402 1435866190 /nfs/dbraw/zinc/86/61/90/1435866190.db2.gz ISATVAIINSIJEO-UHFFFAOYSA-N 1 1 382.533 3.380 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283341662 1435885158 /nfs/dbraw/zinc/88/51/58/1435885158.db2.gz AWPWDAMGCNRKQK-HXUWFJFHSA-N 1 1 388.515 3.233 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283341656 1435885207 /nfs/dbraw/zinc/88/52/07/1435885207.db2.gz AWPWDAMGCNRKQK-FQEVSTJZSA-N 1 1 388.515 3.233 20 30 GGEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000283398118 1435888008 /nfs/dbraw/zinc/88/80/08/1435888008.db2.gz WKZTUDBVYCWYAU-AZUAARDMSA-N 1 1 378.524 3.369 20 30 GGEDMO CC(=O)c1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000283428424 1435889304 /nfs/dbraw/zinc/88/93/04/1435889304.db2.gz CBJNWNQAENDEGI-UHFFFAOYSA-N 1 1 378.432 3.381 20 30 GGEDMO CC(=O)c1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000283428424 1435889306 /nfs/dbraw/zinc/88/93/06/1435889306.db2.gz CBJNWNQAENDEGI-UHFFFAOYSA-N 1 1 378.432 3.381 20 30 GGEDMO C=CCc1cc(CNc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc(OC)c1O ZINC000283469264 1435891365 /nfs/dbraw/zinc/89/13/65/1435891365.db2.gz SFVFLKHNJYWUBA-UHFFFAOYSA-N 1 1 395.503 3.129 20 30 GGEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000283581604 1435896595 /nfs/dbraw/zinc/89/65/95/1435896595.db2.gz KJLNLRXJECNKQY-FXAWDEMLSA-N 1 1 378.524 3.369 20 30 GGEDMO C=CCN(CCc1ccccc1)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000283857847 1435938214 /nfs/dbraw/zinc/93/82/14/1435938214.db2.gz BISOUOFYKKOJBI-FQEVSTJZSA-N 1 1 385.552 3.015 20 30 GGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000284385692 1436017930 /nfs/dbraw/zinc/01/79/30/1436017930.db2.gz IBVJIUXTPLEZMC-LJQANCHMSA-N 1 1 398.551 3.066 20 30 GGEDMO CC[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000284560995 1436030571 /nfs/dbraw/zinc/03/05/71/1436030571.db2.gz NLHWLJCKQLSSTR-SFTDATJTSA-N 1 1 378.476 3.336 20 30 GGEDMO CC[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000284560995 1436030575 /nfs/dbraw/zinc/03/05/75/1436030575.db2.gz NLHWLJCKQLSSTR-SFTDATJTSA-N 1 1 378.476 3.336 20 30 GGEDMO Cn1nccc1[C@H]1[C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCC[N@H+]1C ZINC000284574104 1436031405 /nfs/dbraw/zinc/03/14/05/1436031405.db2.gz NIHLXXQLNGWFIZ-OXJNMPFZSA-N 1 1 394.523 3.426 20 30 GGEDMO C[N@H+]1CCN(CC(=O)Nc2ccccc2SCC#N)C[C@@H]1Cc1ccccc1 ZINC000284729912 1436044322 /nfs/dbraw/zinc/04/43/22/1436044322.db2.gz JZKLARKAOOIXGV-IBGZPJMESA-N 1 1 394.544 3.099 20 30 GGEDMO C[N@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1Cc1ccccc1 ZINC000284746914 1436045946 /nfs/dbraw/zinc/04/59/46/1436045946.db2.gz LHPJDMUFNPWBHI-LJQANCHMSA-N 1 1 382.895 3.009 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1C#N ZINC000284801101 1436051084 /nfs/dbraw/zinc/05/10/84/1436051084.db2.gz OPVAZURTZBVUKQ-VQTJNVASSA-N 1 1 396.491 3.200 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1C#N ZINC000284801101 1436051088 /nfs/dbraw/zinc/05/10/88/1436051088.db2.gz OPVAZURTZBVUKQ-VQTJNVASSA-N 1 1 396.491 3.200 20 30 GGEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164649992 719306998 /nfs/dbraw/zinc/30/69/98/719306998.db2.gz YRZVFSPJLRHNAY-UHFFFAOYSA-N 1 1 376.867 3.147 20 30 GGEDMO C[N@H+]1CCO[C@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)C[C@@H]21 ZINC001164667226 719397350 /nfs/dbraw/zinc/39/73/50/719397350.db2.gz NGUIPZXWTBBMTA-ROUUACIJSA-N 1 1 376.485 3.354 20 30 GGEDMO Cc1[nH+]c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ccc1CC#N ZINC001164670254 719525658 /nfs/dbraw/zinc/52/56/58/719525658.db2.gz CFJQXOGQYRPYRJ-UHFFFAOYSA-N 1 1 394.494 3.467 20 30 GGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc(Cl)c2C#N)CC3)cs1 ZINC001164694402 719806122 /nfs/dbraw/zinc/80/61/22/719806122.db2.gz YBHLAKUGXAMPBF-UHFFFAOYSA-N 1 1 388.928 3.402 20 30 GGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc4c(C#N)c[nH]c4n2)CC3)cs1 ZINC001164692805 719812132 /nfs/dbraw/zinc/81/21/32/719812132.db2.gz SBAKNRDYMBZDQC-UHFFFAOYSA-N 1 1 393.520 3.230 20 30 GGEDMO N#Cc1cc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ccc2[nH]1 ZINC001164697699 719897090 /nfs/dbraw/zinc/89/70/90/719897090.db2.gz NTCQZZDZIMTSJA-UHFFFAOYSA-N 1 1 393.516 3.367 20 30 GGEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C)c(C#N)n1)CC2 ZINC001164716946 720114995 /nfs/dbraw/zinc/11/49/95/720114995.db2.gz MBPMJVKMNIWEGK-FQEVSTJZSA-N 1 1 391.519 3.164 20 30 GGEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C#N)c(C)n1)CC2 ZINC001164712063 720128297 /nfs/dbraw/zinc/12/82/97/720128297.db2.gz KIXHWUADIGIIFR-OAQYLSRUSA-N 1 1 391.519 3.164 20 30 GGEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(CC#N)ccn1)CC2 ZINC001164711263 720130091 /nfs/dbraw/zinc/13/00/91/720130091.db2.gz GSMOSADXWAFHPT-NRFANRHFSA-N 1 1 391.519 3.050 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001164819544 720166592 /nfs/dbraw/zinc/16/65/92/720166592.db2.gz XSUOITGAQGSHGH-NZQKXSOJSA-N 1 1 380.536 3.017 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3c(c1C#N)CCCC3)C2 ZINC001164814092 720201790 /nfs/dbraw/zinc/20/17/90/720201790.db2.gz SLAOUILQMULMRY-CVDCTZTESA-N 1 1 380.536 3.017 20 30 GGEDMO N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1Cl ZINC001164721732 720336552 /nfs/dbraw/zinc/33/65/52/720336552.db2.gz DFEJWUMNWCFKAA-CVEARBPZSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1Cl ZINC001164721732 720336555 /nfs/dbraw/zinc/33/65/55/720336555.db2.gz DFEJWUMNWCFKAA-CVEARBPZSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725340 720365194 /nfs/dbraw/zinc/36/51/94/720365194.db2.gz MMFOBSOGMHFGFL-IRXDYDNUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725340 720365199 /nfs/dbraw/zinc/36/51/99/720365199.db2.gz MMFOBSOGMHFGFL-IRXDYDNUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722608 720389774 /nfs/dbraw/zinc/38/97/74/720389774.db2.gz DQHJYJMUUHMGAJ-JKSUJKDBSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722608 720389780 /nfs/dbraw/zinc/38/97/80/720389780.db2.gz DQHJYJMUUHMGAJ-JKSUJKDBSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726458 720391232 /nfs/dbraw/zinc/39/12/32/720391232.db2.gz OMWXDTOTTWNQQV-IRXDYDNUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726458 720391238 /nfs/dbraw/zinc/39/12/38/720391238.db2.gz OMWXDTOTTWNQQV-IRXDYDNUSA-N 1 1 389.837 3.400 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C#N)cc(Cl)n3)CC[C@@H]21 ZINC001164832880 720505041 /nfs/dbraw/zinc/50/50/41/720505041.db2.gz BQTXLAZITIKLBA-SQNIBIBYSA-N 1 1 384.915 3.181 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164837249 720512230 /nfs/dbraw/zinc/51/22/30/720512230.db2.gz OQZSFQIPLXEQHF-ZIFCJYIRSA-N 1 1 398.942 3.489 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)ncc3C#N)CC[C@@H]21 ZINC001164836094 720514014 /nfs/dbraw/zinc/51/40/14/720514014.db2.gz MHYLZAKYSXOUMW-SZMVWBNQSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c(C#N)c[nH]c4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840751 720555955 /nfs/dbraw/zinc/55/59/55/720555955.db2.gz SRQHHVAXYXFLPX-IMFGXOCKSA-N 1 1 389.507 3.009 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(Cl)cc3C#N)CC[C@@H]21 ZINC001164835939 720580428 /nfs/dbraw/zinc/58/04/28/720580428.db2.gz CXTSASFMHOQLGO-NEWSRXKRSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)CC[C@@H]21 ZINC001164835576 720585530 /nfs/dbraw/zinc/58/55/30/720585530.db2.gz BKNGBCPLCOKHQI-KPFFTGBYSA-N 1 1 389.507 3.009 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4[nH]c(C#N)cc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835579 720594872 /nfs/dbraw/zinc/59/48/72/720594872.db2.gz BNDGGYSWJAOADO-DJPFJPOOSA-N 1 1 389.507 3.009 20 30 GGEDMO COc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1C#N ZINC001164837544 720660785 /nfs/dbraw/zinc/66/07/85/720660785.db2.gz CVBRNCZRZKBNAZ-HXUWFJFHSA-N 1 1 392.503 3.222 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164840345 720676666 /nfs/dbraw/zinc/67/66/66/720676666.db2.gz DFGPWWOOYWFJGC-NRFANRHFSA-N 1 1 387.487 3.085 20 30 GGEDMO COc1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164845370 720684154 /nfs/dbraw/zinc/68/41/54/720684154.db2.gz YWWDMIKGBZGDDZ-IBGZPJMESA-N 1 1 392.503 3.222 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(F)c1C#N)CC2 ZINC001164844873 720698238 /nfs/dbraw/zinc/69/82/38/720698238.db2.gz VRQSBHSYIZUSPR-GOSISDBHSA-N 1 1 380.467 3.352 20 30 GGEDMO N#Cc1cc(Cl)c(Cl)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164788878 721410774 /nfs/dbraw/zinc/41/07/74/721410774.db2.gz SIPWSRXXSRMERW-VXGBXAGGSA-N 1 1 380.304 3.285 20 30 GGEDMO N#Cc1ccc(-c2ccncc2)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164782643 721424161 /nfs/dbraw/zinc/42/41/61/721424161.db2.gz HAMHDQQBLDOPPA-ROUUACIJSA-N 1 1 388.500 3.040 20 30 GGEDMO N#Cc1nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164780846 721433858 /nfs/dbraw/zinc/43/38/58/721433858.db2.gz AOBUTPBTSCKKDR-GHMZBOCLSA-N 1 1 380.304 3.285 20 30 GGEDMO C[Si](C)(C)C#Cc1ccnc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164781486 721436074 /nfs/dbraw/zinc/43/60/74/721436074.db2.gz DSYRNZJCPLITRH-ROUUACIJSA-N 1 1 382.609 3.335 20 30 GGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164791750 721489943 /nfs/dbraw/zinc/48/99/43/721489943.db2.gz FDQAXABWGOXJBH-UHFFFAOYSA-N 1 1 387.491 3.106 20 30 GGEDMO N#Cc1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900518 721510465 /nfs/dbraw/zinc/51/04/65/721510465.db2.gz RRAGQBXDDHJIAB-ZBFHGGJFSA-N 1 1 390.821 3.227 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164809597 721532934 /nfs/dbraw/zinc/53/29/34/721532934.db2.gz VPXKMONCRRLAGU-FSSWDIPSSA-N 1 1 391.519 3.340 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164809597 721532937 /nfs/dbraw/zinc/53/29/37/721532937.db2.gz VPXKMONCRRLAGU-FSSWDIPSSA-N 1 1 391.519 3.340 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc(C#N)cc32)[C@H]2CCCO[C@@H]12 ZINC001164807790 721547758 /nfs/dbraw/zinc/54/77/58/721547758.db2.gz RHMALZIDQCKCRM-YTFSRNRJSA-N 1 1 399.498 3.370 20 30 GGEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164903111 721553145 /nfs/dbraw/zinc/55/31/45/721553145.db2.gz AMDBBXHRJTZRIA-TZIWHRDSSA-N 1 1 392.478 3.313 20 30 GGEDMO N#CCc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164908166 721561876 /nfs/dbraw/zinc/56/18/76/721561876.db2.gz PQQCUHFAOUONBV-FUHWJXTLSA-N 1 1 386.858 3.282 20 30 GGEDMO N#CCc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164908168 721562216 /nfs/dbraw/zinc/56/22/16/721562216.db2.gz PQQCUHFAOUONBV-SJLPKXTDSA-N 1 1 386.858 3.282 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164808855 721577015 /nfs/dbraw/zinc/57/70/15/721577015.db2.gz WAZDUQQFZYVQAZ-AKFKNWHVSA-N 1 1 399.498 3.370 20 30 GGEDMO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C#N)c1 ZINC001164907430 721586528 /nfs/dbraw/zinc/58/65/28/721586528.db2.gz SLUGWASMJLHGOR-HXUWFJFHSA-N 1 1 383.446 3.394 20 30 GGEDMO COc1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164906101 721698377 /nfs/dbraw/zinc/69/83/77/721698377.db2.gz LENLUSOJERLXIY-FQEVSTJZSA-N 1 1 399.445 3.095 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(F)cc1C#N)C2 ZINC001164908406 721748316 /nfs/dbraw/zinc/74/83/16/721748316.db2.gz HZLPYOQYTRCSNL-UHFFFAOYSA-N 1 1 377.423 3.275 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(F)cc1C#N)C2 ZINC001164908406 721748324 /nfs/dbraw/zinc/74/83/24/721748324.db2.gz HZLPYOQYTRCSNL-UHFFFAOYSA-N 1 1 377.423 3.275 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C#N)cc1F)C2 ZINC001164911865 721757882 /nfs/dbraw/zinc/75/78/82/721757882.db2.gz ZWADGRKZNUXNKB-UHFFFAOYSA-N 1 1 377.423 3.275 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C#N)cc1F)C2 ZINC001164911865 721757884 /nfs/dbraw/zinc/75/78/84/721757884.db2.gz ZWADGRKZNUXNKB-UHFFFAOYSA-N 1 1 377.423 3.275 20 30 GGEDMO COc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1C#N ZINC001165025406 721799834 /nfs/dbraw/zinc/79/98/34/721799834.db2.gz NYVWUYCEJNHHMY-PWIZWCRZSA-N 1 1 377.492 3.094 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)nc3C#N)C[C@H]21 ZINC001165020368 721804636 /nfs/dbraw/zinc/80/46/36/721804636.db2.gz FHPBVFZMZFFTSW-QGPMSJSTSA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)nc3C#N)C[C@@H]21 ZINC001165020374 721804841 /nfs/dbraw/zinc/80/48/41/721804841.db2.gz FHPBVFZMZFFTSW-UWWQBHOKSA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)cc3C#N)C[C@@H]21 ZINC001165024673 721806170 /nfs/dbraw/zinc/80/61/70/721806170.db2.gz MQYHUVFQOYXWLR-JCGIZDLHSA-N 1 1 382.899 3.134 20 30 GGEDMO COc1cc(C#N)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026079 721814123 /nfs/dbraw/zinc/81/41/23/721814123.db2.gz PAKORTCIZSSFDY-ZLGUVYLKSA-N 1 1 377.492 3.094 20 30 GGEDMO Cc1ccc2nc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c(C#N)c(Cl)c2c1 ZINC001164930607 721890993 /nfs/dbraw/zinc/89/09/93/721890993.db2.gz CDRRFVREVDMMBP-RBUKOAKNSA-N 1 1 383.927 3.283 20 30 GGEDMO Cc1ccc2nc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c(C#N)c(Cl)c2c1 ZINC001164930607 721890994 /nfs/dbraw/zinc/89/09/94/721890994.db2.gz CDRRFVREVDMMBP-RBUKOAKNSA-N 1 1 383.927 3.283 20 30 GGEDMO Cc1ccc2nc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c(C#N)c(Cl)c2c1 ZINC001164930604 721891039 /nfs/dbraw/zinc/89/10/39/721891039.db2.gz CDRRFVREVDMMBP-OALUTQOASA-N 1 1 383.927 3.283 20 30 GGEDMO Cc1ccc2nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c(C#N)c(Cl)c2c1 ZINC001164930604 721891040 /nfs/dbraw/zinc/89/10/40/721891040.db2.gz CDRRFVREVDMMBP-OALUTQOASA-N 1 1 383.927 3.283 20 30 GGEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001165043967 721925262 /nfs/dbraw/zinc/92/52/62/721925262.db2.gz RSSDZYDFAMCYIN-QGZVFWFLSA-N 1 1 399.882 3.095 20 30 GGEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(C#N)c4F)CC3)C2)cc1 ZINC001164941023 721925877 /nfs/dbraw/zinc/92/58/77/721925877.db2.gz YYMZQAAHIMOBNZ-UHFFFAOYSA-N 1 1 380.467 3.272 20 30 GGEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165042618 721953323 /nfs/dbraw/zinc/95/33/23/721953323.db2.gz PGAKONAWTJRROR-UHFFFAOYSA-N 1 1 393.878 3.356 20 30 GGEDMO N#Cc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(Cl)c1 ZINC001164960459 722052946 /nfs/dbraw/zinc/05/29/46/722052946.db2.gz OJYYTIURURRKAN-UHFFFAOYSA-N 1 1 397.910 3.121 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164979897 722101991 /nfs/dbraw/zinc/10/19/91/722101991.db2.gz IFZBYZGVKNUABA-HKUYNNGSSA-N 1 1 397.910 3.037 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164979901 722102252 /nfs/dbraw/zinc/10/22/52/722102252.db2.gz IFZBYZGVKNUABA-MJGOQNOKSA-N 1 1 397.910 3.037 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983911 722103541 /nfs/dbraw/zinc/10/35/41/722103541.db2.gz QYJWZCKFVCBVLP-RBBKRZOGSA-N 1 1 391.519 3.199 20 30 GGEDMO N#Cc1nc(Cl)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1C#N ZINC001164996247 722199868 /nfs/dbraw/zinc/19/98/68/722199868.db2.gz SEYNEJTWMPBVEE-FQEVSTJZSA-N 1 1 396.857 3.257 20 30 GGEDMO N#Cc1nc(Cl)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C#N ZINC001164996247 722199869 /nfs/dbraw/zinc/19/98/69/722199869.db2.gz SEYNEJTWMPBVEE-FQEVSTJZSA-N 1 1 396.857 3.257 20 30 GGEDMO N#Cc1c[nH]c2nc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)ncc12 ZINC001164995955 722206012 /nfs/dbraw/zinc/20/60/12/722206012.db2.gz QLBXNCPGOPTXDG-NRFANRHFSA-N 1 1 376.439 3.214 20 30 GGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000823909645 946515781 /nfs/dbraw/zinc/51/57/81/946515781.db2.gz MEXZKUGWYJITGB-UHFFFAOYSA-N 1 1 375.379 3.292 20 30 GGEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)CCc1cccc(-c2nn[nH]n2)c1 ZINC001573290294 946902471 /nfs/dbraw/zinc/90/24/71/946902471.db2.gz VHXGTWRTZNINHM-UHFFFAOYSA-N 1 1 381.867 3.207 20 30 GGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CCc1cccc(-c2nn[nH]n2)c1 ZINC001573290294 946902487 /nfs/dbraw/zinc/90/24/87/946902487.db2.gz VHXGTWRTZNINHM-UHFFFAOYSA-N 1 1 381.867 3.207 20 30 GGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC001573340960 947523630 /nfs/dbraw/zinc/52/36/30/947523630.db2.gz FMWDZQWSOJZTPV-MRXNPFEDSA-N 1 1 386.525 3.102 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328805 221182233 /nfs/dbraw/zinc/18/22/33/221182233.db2.gz MHGRJFQCCMDUDZ-WMZOPIPTSA-N 1 1 376.460 3.236 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328805 221182235 /nfs/dbraw/zinc/18/22/35/221182235.db2.gz MHGRJFQCCMDUDZ-WMZOPIPTSA-N 1 1 376.460 3.236 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012881613 221241523 /nfs/dbraw/zinc/24/15/23/221241523.db2.gz IPVHIKUHOYDBCF-MRXNPFEDSA-N 1 1 376.460 3.236 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022931090 221575936 /nfs/dbraw/zinc/57/59/36/221575936.db2.gz XCDDSWXGEKGOKT-UHFFFAOYSA-N 1 1 388.924 3.420 20 30 GGEDMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801328 222008511 /nfs/dbraw/zinc/00/85/11/222008511.db2.gz WABOODYLNSTDQR-KRWDZBQOSA-N 1 1 394.544 3.105 20 30 GGEDMO O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117350691 564226570 /nfs/dbraw/zinc/22/65/70/564226570.db2.gz AKVHKMMRKMUSIO-LLVKDONJSA-N 1 1 375.284 3.382 20 30 GGEDMO O[C@@H](COc1ccc(F)cc1)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117350691 564226572 /nfs/dbraw/zinc/22/65/72/564226572.db2.gz AKVHKMMRKMUSIO-LLVKDONJSA-N 1 1 375.284 3.382 20 30 GGEDMO C[N@H+](Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000014200946 564280428 /nfs/dbraw/zinc/28/04/28/564280428.db2.gz QABMXFRYERPWJK-CYBMUJFWSA-N 1 1 381.295 3.254 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)Cc2cnn(C)c2)cc1OC ZINC000119700160 564283892 /nfs/dbraw/zinc/28/38/92/564283892.db2.gz RSOWDFAZLUXBKL-UHFFFAOYSA-N 1 1 380.286 3.388 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)Cc2cnn(C)c2)cc1OC ZINC000119700160 564283893 /nfs/dbraw/zinc/28/38/93/564283893.db2.gz RSOWDFAZLUXBKL-UHFFFAOYSA-N 1 1 380.286 3.388 20 30 GGEDMO C=CC[N@H+](Cc1cccs1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000119932358 564296189 /nfs/dbraw/zinc/29/61/89/564296189.db2.gz PWNRZECAZZCAJO-UHFFFAOYSA-N 1 1 380.897 3.462 20 30 GGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000119932358 564296190 /nfs/dbraw/zinc/29/61/90/564296190.db2.gz PWNRZECAZZCAJO-UHFFFAOYSA-N 1 1 380.897 3.462 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Br)ccc1Cl ZINC000121442782 564369788 /nfs/dbraw/zinc/36/97/88/564369788.db2.gz KCIYJDHHCMJXPQ-UHFFFAOYSA-N 1 1 382.693 3.344 20 30 GGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125535907 564517513 /nfs/dbraw/zinc/51/75/13/564517513.db2.gz BVUPIWBIUODWBV-SFHVURJKSA-N 1 1 375.266 3.365 20 30 GGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000125566076 564518422 /nfs/dbraw/zinc/51/84/22/564518422.db2.gz IAKMNNXJBMQJLC-KRWDZBQOSA-N 1 1 375.266 3.495 20 30 GGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000125566076 564518423 /nfs/dbraw/zinc/51/84/23/564518423.db2.gz IAKMNNXJBMQJLC-KRWDZBQOSA-N 1 1 375.266 3.495 20 30 GGEDMO C[N@H+](Cc1cc(Br)cs1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000047752780 564525947 /nfs/dbraw/zinc/52/59/47/564525947.db2.gz PVKMYWVPXUBYKD-HNNXBMFYSA-N 1 1 395.322 3.448 20 30 GGEDMO C[N@H+](Cc1cc(Br)cs1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000047751732 564526229 /nfs/dbraw/zinc/52/62/29/564526229.db2.gz KEDULOCSFSXMRH-CQSZACIVSA-N 1 1 381.295 3.254 20 30 GGEDMO C[N@@H+](CCOc1ccccc1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000125784254 564526897 /nfs/dbraw/zinc/52/68/97/564526897.db2.gz WSENAGHFZXGQOI-QGZVFWFLSA-N 1 1 375.266 3.365 20 30 GGEDMO N#Cc1c[nH]c(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000128197160 564610573 /nfs/dbraw/zinc/61/05/73/564610573.db2.gz KMINTRSHJVYTAC-UHFFFAOYSA-N 1 1 387.281 3.043 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H](C)C[S@](C)=O)cc1OC ZINC000130958026 564696958 /nfs/dbraw/zinc/69/69/58/564696958.db2.gz NIUDJPRWDUNREQ-VERVWZFWSA-N 1 1 390.343 3.221 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cc1OC ZINC000130958026 564696960 /nfs/dbraw/zinc/69/69/60/564696960.db2.gz NIUDJPRWDUNREQ-VERVWZFWSA-N 1 1 390.343 3.221 20 30 GGEDMO C[N@@H+]1CC[C@H](CNS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135077290 564823159 /nfs/dbraw/zinc/82/31/59/564823159.db2.gz VCTXEHLZYMHQDZ-PBHICJAKSA-N 1 1 387.908 3.085 20 30 GGEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135077290 564823162 /nfs/dbraw/zinc/82/31/62/564823162.db2.gz VCTXEHLZYMHQDZ-PBHICJAKSA-N 1 1 387.908 3.085 20 30 GGEDMO C=CCNc1ncc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000136231880 564847008 /nfs/dbraw/zinc/84/70/08/564847008.db2.gz GTNNUHDWKLFABS-CQSZACIVSA-N 1 1 376.551 3.445 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000071826341 564856886 /nfs/dbraw/zinc/85/68/86/564856886.db2.gz UIWPBUUJHNWINQ-UHFFFAOYSA-N 1 1 388.265 3.262 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000071826341 564856890 /nfs/dbraw/zinc/85/68/90/564856890.db2.gz UIWPBUUJHNWINQ-UHFFFAOYSA-N 1 1 388.265 3.262 20 30 GGEDMO C=CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000104076382 564952972 /nfs/dbraw/zinc/95/29/72/564952972.db2.gz QPYADHRYRGXMQL-IBGZPJMESA-N 1 1 389.293 3.439 20 30 GGEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152605970 564964819 /nfs/dbraw/zinc/96/48/19/564964819.db2.gz DLFYJSHXXFJYPM-CQSZACIVSA-N 1 1 378.314 3.173 20 30 GGEDMO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000152608498 564964931 /nfs/dbraw/zinc/96/49/31/564964931.db2.gz PMVKVNXDFAYQPA-SFHVURJKSA-N 1 1 390.325 3.221 20 30 GGEDMO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000152608426 564964947 /nfs/dbraw/zinc/96/49/47/564964947.db2.gz PMVKVNXDFAYQPA-GOSISDBHSA-N 1 1 390.325 3.221 20 30 GGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152605846 564965458 /nfs/dbraw/zinc/96/54/58/564965458.db2.gz DLFYJSHXXFJYPM-AWEZNQCLSA-N 1 1 378.314 3.173 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000106861636 564990186 /nfs/dbraw/zinc/99/01/86/564990186.db2.gz RFOJNZQTZFFLOJ-KDOFPFPSSA-N 1 1 380.330 3.366 20 30 GGEDMO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000156162524 565075488 /nfs/dbraw/zinc/07/54/88/565075488.db2.gz FQMACPOZNQVOGI-OAHLLOKOSA-N 1 1 395.937 3.389 20 30 GGEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183825755 565096679 /nfs/dbraw/zinc/09/66/79/565096679.db2.gz AQMQQTHLYDYPFJ-UHFFFAOYSA-N 1 1 394.313 3.054 20 30 GGEDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000156699269 565100980 /nfs/dbraw/zinc/10/09/80/565100980.db2.gz OWDWIUQLOLMDAN-UHFFFAOYSA-N 1 1 377.897 3.142 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccco1 ZINC000184220643 565120435 /nfs/dbraw/zinc/12/04/35/565120435.db2.gz SORNHIABQNSQAF-HNNXBMFYSA-N 1 1 381.885 3.166 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1OC ZINC000371137270 565178507 /nfs/dbraw/zinc/17/85/07/565178507.db2.gz AOCSRVALIPVING-CQSZACIVSA-N 1 1 392.297 3.393 20 30 GGEDMO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000186083974 565238424 /nfs/dbraw/zinc/23/84/24/565238424.db2.gz FBJOBDYYETZJGP-HNNXBMFYSA-N 1 1 395.937 3.389 20 30 GGEDMO C#CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)cc1 ZINC000295131331 565247167 /nfs/dbraw/zinc/24/71/67/565247167.db2.gz YMNKDRPYEZCNNF-UHFFFAOYSA-N 1 1 377.893 3.435 20 30 GGEDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810722 565255869 /nfs/dbraw/zinc/25/58/69/565255869.db2.gz WCFBNTFNOOIMST-AEFFLSMTSA-N 1 1 389.297 3.142 20 30 GGEDMO C[N@H+](C[C@H](O)c1ccccc1Br)C[C@@H](O)c1ccc(C#N)cc1 ZINC000295314321 565259026 /nfs/dbraw/zinc/25/90/26/565259026.db2.gz LLNIGOYYKXRSID-MSOLQXFVSA-N 1 1 375.266 3.020 20 30 GGEDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1)C(N)=O ZINC000295594713 565275750 /nfs/dbraw/zinc/27/57/50/565275750.db2.gz MROJWTWWTRGBEI-AWEZNQCLSA-N 1 1 378.314 3.434 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCc2cnccn2)cc1OC ZINC000272762047 565296842 /nfs/dbraw/zinc/29/68/42/565296842.db2.gz LSIPFYLVIOGHNR-UHFFFAOYSA-N 1 1 392.297 3.487 20 30 GGEDMO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000272859865 565299903 /nfs/dbraw/zinc/29/99/03/565299903.db2.gz MSARUMVWANZVHL-JTQLQIEISA-N 1 1 385.379 3.141 20 30 GGEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000272873352 565300600 /nfs/dbraw/zinc/30/06/00/565300600.db2.gz TYTPARWDLDGIQX-UHFFFAOYSA-N 1 1 380.897 3.004 20 30 GGEDMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000187214223 565316937 /nfs/dbraw/zinc/31/69/37/565316937.db2.gz PCKJVCVFFBRFTO-UHFFFAOYSA-N 1 1 378.881 3.326 20 30 GGEDMO C=CC[NH+]1CCC(NCc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000188728595 565420908 /nfs/dbraw/zinc/42/09/08/565420908.db2.gz FKALWNCKYFBUST-UHFFFAOYSA-N 1 1 394.357 3.026 20 30 GGEDMO CCC(N)=[NH+]OCC(=O)Nc1c(Br)cc(C)cc1Br ZINC000298767965 565428805 /nfs/dbraw/zinc/42/88/05/565428805.db2.gz CZGGUCTUZLISEF-UHFFFAOYSA-N 1 1 393.079 3.157 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(Br)cn3)CC2)cc1 ZINC000171959387 565458536 /nfs/dbraw/zinc/45/85/36/565458536.db2.gz VRHSDBMLEYIHBJ-UHFFFAOYSA-N 1 1 385.309 3.424 20 30 GGEDMO CN(CCCc1[nH]nc(N)c1C#N)c1cc[nH+]c2ccc(Br)cc21 ZINC000301527918 565493287 /nfs/dbraw/zinc/49/32/87/565493287.db2.gz OBGPAYKWQZUKOF-UHFFFAOYSA-N 1 1 385.269 3.243 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000172671453 565497818 /nfs/dbraw/zinc/49/78/18/565497818.db2.gz GGXFTKJBTGMKTP-INIZCTEOSA-N 1 1 375.519 3.044 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277628691 565510850 /nfs/dbraw/zinc/51/08/50/565510850.db2.gz BBJJYKPKBUWRGD-FZMZJTMJSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277628691 565510856 /nfs/dbraw/zinc/51/08/56/565510856.db2.gz BBJJYKPKBUWRGD-FZMZJTMJSA-N 1 1 377.204 3.456 20 30 GGEDMO C#CC[NH+]1CCC(c2nc([C@H](OC)c3ccc(Br)cc3)no2)CC1 ZINC000277785007 565519702 /nfs/dbraw/zinc/51/97/02/565519702.db2.gz FJYVGNSROADFLK-MRXNPFEDSA-N 1 1 390.281 3.381 20 30 GGEDMO N#Cc1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Br)c1 ZINC000302046962 565526706 /nfs/dbraw/zinc/52/67/06/565526706.db2.gz LJIBJOIGXIJYDJ-QGZVFWFLSA-N 1 1 386.293 3.499 20 30 GGEDMO N#Cc1cc(Br)ccc1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000302106432 565529951 /nfs/dbraw/zinc/52/99/51/565529951.db2.gz XTMJKKBFKYEFOP-ROUUACIJSA-N 1 1 386.293 3.368 20 30 GGEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(C#N)ccc1Br ZINC000278371859 565554627 /nfs/dbraw/zinc/55/46/27/565554627.db2.gz CBGOIDTZZDALQL-AWEZNQCLSA-N 1 1 378.314 3.006 20 30 GGEDMO C[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000390758679 565557861 /nfs/dbraw/zinc/55/78/61/565557861.db2.gz KHXWOVRTZRGEAN-AWEZNQCLSA-N 1 1 377.897 3.010 20 30 GGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000303436639 565569968 /nfs/dbraw/zinc/56/99/68/565569968.db2.gz DPXYGPOFBQSWTP-CQSZACIVSA-N 1 1 383.945 3.391 20 30 GGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752940 565576419 /nfs/dbraw/zinc/57/64/19/565576419.db2.gz XEKMXGNEGZTWFG-NFAWXSAZSA-N 1 1 377.286 3.187 20 30 GGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)s1 ZINC000398173017 565576387 /nfs/dbraw/zinc/57/63/87/565576387.db2.gz PIBBOQBMMUCOQN-KRWDZBQOSA-N 1 1 377.535 3.055 20 30 GGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)s1 ZINC000398173021 565577096 /nfs/dbraw/zinc/57/70/96/565577096.db2.gz PIBBOQBMMUCOQN-QGZVFWFLSA-N 1 1 377.535 3.055 20 30 GGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000311000514 565579137 /nfs/dbraw/zinc/57/91/37/565579137.db2.gz JMRRMYJTYBOEER-CQSZACIVSA-N 1 1 377.897 3.010 20 30 GGEDMO C[N@H+](Cc1cc(Br)cs1)C[C@H](O)COc1ccccc1C#N ZINC000314721949 565587898 /nfs/dbraw/zinc/58/78/98/565587898.db2.gz UUNJCVUPEMHJNX-AWEZNQCLSA-N 1 1 381.295 3.254 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000408155258 565596440 /nfs/dbraw/zinc/59/64/40/565596440.db2.gz QCDJPIAHHVCWRX-LZWOXQAQSA-N 1 1 381.929 3.238 20 30 GGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191348418 565598011 /nfs/dbraw/zinc/59/80/11/565598011.db2.gz AHRQABYMZGVSCK-HNNXBMFYSA-N 1 1 386.330 3.358 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191456454 565605841 /nfs/dbraw/zinc/60/58/41/565605841.db2.gz KTCJQIZYZPAOFC-UHFFFAOYSA-N 1 1 378.314 3.423 20 30 GGEDMO CCCCNC(=O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191771606 565630670 /nfs/dbraw/zinc/63/06/70/565630670.db2.gz IMMOZECAQVFTLJ-UHFFFAOYSA-N 1 1 378.314 3.449 20 30 GGEDMO COc1cc[nH+]c(N2CCN(Cc3cc(C#N)ccc3Br)CC2)c1 ZINC000191783568 565631739 /nfs/dbraw/zinc/63/17/39/565631739.db2.gz GXMQFUOYQCBGMX-UHFFFAOYSA-N 1 1 387.281 3.047 20 30 GGEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000191806551 565634276 /nfs/dbraw/zinc/63/42/76/565634276.db2.gz XGAZWQDZAOUXLH-QGZVFWFLSA-N 1 1 379.298 3.481 20 30 GGEDMO CC(C)([NH2+]Cc1cc(C#N)ccc1Br)C(=O)NCC1CCCC1 ZINC000191818688 565635411 /nfs/dbraw/zinc/63/54/11/565635411.db2.gz AXITVASQPBPVKI-UHFFFAOYSA-N 1 1 378.314 3.495 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C[N@H+]1C1CC1 ZINC000328809008 565642530 /nfs/dbraw/zinc/64/25/30/565642530.db2.gz MJTGGBLQJPGRJY-HFBDOXOYSA-N 1 1 398.276 3.151 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328835149 565643358 /nfs/dbraw/zinc/64/33/58/565643358.db2.gz SGGGONUFGNVZCX-BASLNEPJSA-N 1 1 397.313 3.287 20 30 GGEDMO CC1=CC[N@@H+](CCNC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000329117339 565654127 /nfs/dbraw/zinc/65/41/27/565654127.db2.gz ULXUAGQFWQLIAY-UHFFFAOYSA-N 1 1 381.270 3.177 20 30 GGEDMO COc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc(OC)c1Br ZINC000329213239 565659752 /nfs/dbraw/zinc/65/97/52/565659752.db2.gz JCONBBBVAQUYEZ-OLZOCXBDSA-N 1 1 398.301 3.228 20 30 GGEDMO O=C(Nc1ccc2nccnc2c1Br)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329427266 565666352 /nfs/dbraw/zinc/66/63/52/565666352.db2.gz JDAYDPRKPCATBG-BXUZGUMPSA-N 1 1 390.285 3.345 20 30 GGEDMO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)cc1Br ZINC000329556586 565671472 /nfs/dbraw/zinc/67/14/72/565671472.db2.gz HLDHQIRZOWGLOA-IVMMDQJWSA-N 1 1 383.286 3.150 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000329709046 565676326 /nfs/dbraw/zinc/67/63/26/565676326.db2.gz LINNFXDWCUOOBI-DAXOMENPSA-N 1 1 381.929 3.294 20 30 GGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)[C@@H]2C1 ZINC000329836843 565682423 /nfs/dbraw/zinc/68/24/23/565682423.db2.gz HZFZEKMIRXHLEI-SJKOYZFVSA-N 1 1 391.313 3.370 20 30 GGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000329827832 565682441 /nfs/dbraw/zinc/68/24/41/565682441.db2.gz JCTDDLOCFMAQHW-IAQYHMDHSA-N 1 1 395.297 3.202 20 30 GGEDMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000330097855 565691888 /nfs/dbraw/zinc/69/18/88/565691888.db2.gz BFVQYDRQKJXSNT-WCQYABFASA-N 1 1 381.274 3.263 20 30 GGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)N[C@@H]3CCCSC3)CC2)cs1 ZINC000330099308 565692442 /nfs/dbraw/zinc/69/24/42/565692442.db2.gz CYLJNNPFIBRZMT-OAHLLOKOSA-N 1 1 382.599 3.317 20 30 GGEDMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000330182419 565696749 /nfs/dbraw/zinc/69/67/49/565696749.db2.gz OYTCURWUCTWYGY-CABCVRRESA-N 1 1 383.901 3.408 20 30 GGEDMO C[C@@H]1Cc2ccc(Br)cc2CN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330202935 565697512 /nfs/dbraw/zinc/69/75/12/565697512.db2.gz ZZKTZPRELMIADS-WBMJQRKESA-N 1 1 389.297 3.321 20 30 GGEDMO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330222127 565698147 /nfs/dbraw/zinc/69/81/47/565698147.db2.gz RMZCFZKGFYROGQ-OAHLLOKOSA-N 1 1 380.286 3.122 20 30 GGEDMO CCOc1c(Cl)cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000330541360 565710696 /nfs/dbraw/zinc/71/06/96/565710696.db2.gz AFQCDOALAHRZGR-NEPJUHHUSA-N 1 1 390.311 3.325 20 30 GGEDMO CCOc1c(Cl)cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000330541363 565711497 /nfs/dbraw/zinc/71/14/97/565711497.db2.gz AFQCDOALAHRZGR-RYUDHWBXSA-N 1 1 390.311 3.325 20 30 GGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000330579108 565713358 /nfs/dbraw/zinc/71/33/58/565713358.db2.gz SKAXOGUMKUGDKE-OLZOCXBDSA-N 1 1 387.933 3.137 20 30 GGEDMO CC[C@H]1CN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC[N@H+]1C[C@@H](C)O ZINC000330664154 565718209 /nfs/dbraw/zinc/71/82/09/565718209.db2.gz XYGVOIFZWIMJGC-YPMHNXCESA-N 1 1 390.311 3.325 20 30 GGEDMO CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC[N@H+]1C[C@@H](C)O ZINC000330664152 565718501 /nfs/dbraw/zinc/71/85/01/565718501.db2.gz XYGVOIFZWIMJGC-DGCLKSJQSA-N 1 1 390.311 3.325 20 30 GGEDMO COc1cc(Br)c(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1OC ZINC000330720658 565720294 /nfs/dbraw/zinc/72/02/94/565720294.db2.gz XCIMQAFUPNGZJP-GHMZBOCLSA-N 1 1 386.290 3.036 20 30 GGEDMO CCOc1c(Cl)cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Cl ZINC000330971180 565733563 /nfs/dbraw/zinc/73/35/63/565733563.db2.gz FKLDRLLYZCSYLC-NWDGAFQWSA-N 1 1 390.311 3.325 20 30 GGEDMO CCOc1c(Cl)cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1Cl ZINC000330971172 565733705 /nfs/dbraw/zinc/73/37/05/565733705.db2.gz FKLDRLLYZCSYLC-NEPJUHHUSA-N 1 1 390.311 3.325 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000331167568 565743638 /nfs/dbraw/zinc/74/36/38/565743638.db2.gz IJDBMXDPKIZKNA-GHMZBOCLSA-N 1 1 379.810 3.291 20 30 GGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000331167604 565743669 /nfs/dbraw/zinc/74/36/69/565743669.db2.gz IJDBMXDPKIZKNA-QWRGUYRKSA-N 1 1 379.810 3.291 20 30 GGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000331199934 565745528 /nfs/dbraw/zinc/74/55/28/565745528.db2.gz WFNLSRLZSFKNLY-MNOVXSKESA-N 1 1 390.709 3.035 20 30 GGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000331199935 565746130 /nfs/dbraw/zinc/74/61/30/565746130.db2.gz WFNLSRLZSFKNLY-QWRGUYRKSA-N 1 1 390.709 3.035 20 30 GGEDMO CC[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[N@H+]1C[C@@H](C)O ZINC000331278964 565751840 /nfs/dbraw/zinc/75/18/40/565751840.db2.gz DRQRFRDPDDCCQF-MNOVXSKESA-N 1 1 378.275 3.455 20 30 GGEDMO Cc1cc(Br)cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000331287277 565752072 /nfs/dbraw/zinc/75/20/72/565752072.db2.gz HPJRMGNFMSANIS-CYBMUJFWSA-N 1 1 384.318 3.080 20 30 GGEDMO N#CC1(CCC[N@H+](CCO)Cc2cc(Br)ccc2F)CCOCC1 ZINC000281897393 565754947 /nfs/dbraw/zinc/75/49/47/565754947.db2.gz FISVPXUPRZSGEK-UHFFFAOYSA-N 1 1 399.304 3.483 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281936591 565755740 /nfs/dbraw/zinc/75/57/40/565755740.db2.gz KVBGZYVGXDZPKO-UHFFFAOYSA-N 1 1 384.977 3.125 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1 ZINC000411972485 565764762 /nfs/dbraw/zinc/76/47/62/565764762.db2.gz NCGQWSSBMGEZJB-DLBZAZTESA-N 1 1 384.277 3.022 20 30 GGEDMO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)[nH]1 ZINC000412966000 565824317 /nfs/dbraw/zinc/82/43/17/565824317.db2.gz CNHQDURPOWPNQK-UHFFFAOYSA-N 1 1 387.281 3.043 20 30 GGEDMO C[C@@H]1C[C@@]1(C#N)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412972581 565825535 /nfs/dbraw/zinc/82/55/35/565825535.db2.gz XNHCIHVADHBUSW-ACJLOTCBSA-N 1 1 376.298 3.079 20 30 GGEDMO C[C@@H]1C[C@]1(C#N)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412972585 565826296 /nfs/dbraw/zinc/82/62/96/565826296.db2.gz XNHCIHVADHBUSW-FZKQIMNGSA-N 1 1 376.298 3.079 20 30 GGEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000332647356 565849982 /nfs/dbraw/zinc/84/99/82/565849982.db2.gz SUNQUXXZFWZXCU-CABCVRRESA-N 1 1 377.286 3.411 20 30 GGEDMO CC#CCCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413464747 565853363 /nfs/dbraw/zinc/85/33/63/565853363.db2.gz WTKSRZQQVLRVEX-UHFFFAOYSA-N 1 1 378.314 3.126 20 30 GGEDMO CC[N@H+](CCC(=O)N(C)CCC#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000179189571 565964606 /nfs/dbraw/zinc/96/46/06/565964606.db2.gz IKYLMZMEINSXBD-UHFFFAOYSA-N 1 1 385.295 3.016 20 30 GGEDMO CC[N@@H+](CCC(=O)N(C)CCC#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000179189571 565964610 /nfs/dbraw/zinc/96/46/10/565964610.db2.gz IKYLMZMEINSXBD-UHFFFAOYSA-N 1 1 385.295 3.016 20 30 GGEDMO C[N@H+]1CCC[C@H]1CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000245708862 566003406 /nfs/dbraw/zinc/00/34/06/566003406.db2.gz MXJWNDOYVKGZKV-RBUKOAKNSA-N 1 1 391.357 3.116 20 30 GGEDMO C[N@@H+]1CC[C@H](CNS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245737795 566004508 /nfs/dbraw/zinc/00/45/08/566004508.db2.gz VCTXEHLZYMHQDZ-RHSMWYFYSA-N 1 1 387.908 3.085 20 30 GGEDMO C[N@H+]1CC[C@H](CNS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245737795 566004516 /nfs/dbraw/zinc/00/45/16/566004516.db2.gz VCTXEHLZYMHQDZ-RHSMWYFYSA-N 1 1 387.908 3.085 20 30 GGEDMO [NH3+]CC(F)(F)CNC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000415592931 566006749 /nfs/dbraw/zinc/00/67/49/566006749.db2.gz FUEZONNNLOESHW-UHFFFAOYSA-N 1 1 377.260 3.065 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1Cl ZINC000245831769 566008340 /nfs/dbraw/zinc/00/83/40/566008340.db2.gz GLHJRRCIFFNEQP-JKSUJKDBSA-N 1 1 379.913 3.137 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1Cl ZINC000245831769 566008341 /nfs/dbraw/zinc/00/83/41/566008341.db2.gz GLHJRRCIFFNEQP-JKSUJKDBSA-N 1 1 379.913 3.137 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000287286830 566009350 /nfs/dbraw/zinc/00/93/50/566009350.db2.gz RVTYFCUYRQLSRZ-CJNGLKHVSA-N 1 1 377.286 3.269 20 30 GGEDMO Cc1sc(NC(=O)C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c(C#N)c1C ZINC000245893711 566009484 /nfs/dbraw/zinc/00/94/84/566009484.db2.gz OXMGUOXJLSKMOD-GJZGRUSLSA-N 1 1 379.551 3.162 20 30 GGEDMO Cc1sc(NC(=O)C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c(C#N)c1C ZINC000245893711 566009487 /nfs/dbraw/zinc/00/94/87/566009487.db2.gz OXMGUOXJLSKMOD-GJZGRUSLSA-N 1 1 379.551 3.162 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245907978 566010960 /nfs/dbraw/zinc/01/09/60/566010960.db2.gz QYIYVORSKGHGOV-JKSUJKDBSA-N 1 1 379.913 3.137 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245907978 566010965 /nfs/dbraw/zinc/01/09/65/566010965.db2.gz QYIYVORSKGHGOV-JKSUJKDBSA-N 1 1 379.913 3.137 20 30 GGEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180464408 566063478 /nfs/dbraw/zinc/06/34/78/566063478.db2.gz VHJLTWDHZNXLJX-ZDUSSCGKSA-N 1 1 395.297 3.072 20 30 GGEDMO C[C@@H]1CN(C[C@H]2CCCN2Cc2cc(C#N)ccc2Br)C[C@H](C)O1 ZINC000248942364 566092728 /nfs/dbraw/zinc/09/27/28/566092728.db2.gz AABMHZOSZVVSCU-RVKKMQEKSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C[C@H](C)O1 ZINC000248942364 566092732 /nfs/dbraw/zinc/09/27/32/566092732.db2.gz AABMHZOSZVVSCU-RVKKMQEKSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)C[C@H](C)O1 ZINC000248942364 566092738 /nfs/dbraw/zinc/09/27/38/566092738.db2.gz AABMHZOSZVVSCU-RVKKMQEKSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CC[C@H](C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)O1 ZINC000249146927 566098164 /nfs/dbraw/zinc/09/81/64/566098164.db2.gz XAZMBUICQZLCHQ-ZTFGCOKTSA-N 1 1 378.314 3.199 20 30 GGEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cccnc2)CC1 ZINC000181440168 566140459 /nfs/dbraw/zinc/14/04/59/566140459.db2.gz NYZSOVOJTFHSJU-LJQANCHMSA-N 1 1 385.309 3.269 20 30 GGEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000367863516 566220043 /nfs/dbraw/zinc/22/00/43/566220043.db2.gz CYWWLCOJBUYEAC-LJQANCHMSA-N 1 1 382.261 3.417 20 30 GGEDMO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000367863516 566220048 /nfs/dbraw/zinc/22/00/48/566220048.db2.gz CYWWLCOJBUYEAC-LJQANCHMSA-N 1 1 382.261 3.417 20 30 GGEDMO N#C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1cccc(Br)c1 ZINC000291467701 566221104 /nfs/dbraw/zinc/22/11/04/566221104.db2.gz IVSLSTHLRNINMX-INIZCTEOSA-N 1 1 389.253 3.028 20 30 GGEDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000367966401 566225749 /nfs/dbraw/zinc/22/57/49/566225749.db2.gz ZDEYVSVIBNNNPN-WMZOPIPTSA-N 1 1 389.297 3.142 20 30 GGEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccnc(Cl)c3Cl)C2=O)cc1 ZINC000291601639 566228013 /nfs/dbraw/zinc/22/80/13/566228013.db2.gz QNPFWMXANPXBPR-OAHLLOKOSA-N 1 1 375.259 3.151 20 30 GGEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183024596 566235248 /nfs/dbraw/zinc/23/52/48/566235248.db2.gz GGBAUDXVXQNUJA-ZFWWWQNUSA-N 1 1 381.929 3.143 20 30 GGEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183024576 566235258 /nfs/dbraw/zinc/23/52/58/566235258.db2.gz GGBAUDXVXQNUJA-UKRRQHHQSA-N 1 1 381.929 3.143 20 30 GGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526031 566272085 /nfs/dbraw/zinc/27/20/85/566272085.db2.gz CBZIIAFANAEXCE-CZUORRHYSA-N 1 1 396.354 3.376 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526191 566272296 /nfs/dbraw/zinc/27/22/96/566272296.db2.gz GUIYTWOUQJZZJJ-INIZCTEOSA-N 1 1 396.354 3.378 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cc(F)c(Br)cc1F ZINC000599542780 566273360 /nfs/dbraw/zinc/27/33/60/566273360.db2.gz XQSYDPLXVIOGAW-ABKXIKBNSA-N 1 1 386.240 3.186 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000599542746 566273525 /nfs/dbraw/zinc/27/35/25/566273525.db2.gz WPHWUDRVUAHLNI-MGPLVRAMSA-N 1 1 388.256 3.432 20 30 GGEDMO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cc(F)c(Br)cc1F ZINC000599542740 566273974 /nfs/dbraw/zinc/27/39/74/566273974.db2.gz WNGWWPOMDWNJKW-NSHDSACASA-N 1 1 399.239 3.034 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000599541325 566274196 /nfs/dbraw/zinc/27/41/96/566274196.db2.gz HMSMQGPXKLLJEU-QWRGUYRKSA-N 1 1 388.256 3.386 20 30 GGEDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)C(=O)NC1(C#N)CCC1 ZINC000599540905 566274221 /nfs/dbraw/zinc/27/42/21/566274221.db2.gz DCGKRBRJDYUUMQ-VHSXEESVSA-N 1 1 386.240 3.329 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420977851 566334180 /nfs/dbraw/zinc/33/41/80/566334180.db2.gz SOANKPGXEPGCPX-MRXNPFEDSA-N 1 1 378.314 3.218 20 30 GGEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000670207560 566353919 /nfs/dbraw/zinc/35/39/19/566353919.db2.gz IFJMAESYMLEDST-ZDUSSCGKSA-N 1 1 393.333 3.142 20 30 GGEDMO OC[C@@]1(F)CC[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000670273645 566356061 /nfs/dbraw/zinc/35/60/61/566356061.db2.gz NRSBTJPQPCFMEM-CHWSQXEVSA-N 1 1 375.284 3.465 20 30 GGEDMO OC[C@@]1(F)CC[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000670273645 566356068 /nfs/dbraw/zinc/35/60/68/566356068.db2.gz NRSBTJPQPCFMEM-CHWSQXEVSA-N 1 1 375.284 3.465 20 30 GGEDMO COc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1OCCCC#N ZINC000601143420 566392307 /nfs/dbraw/zinc/39/23/07/566392307.db2.gz DGVWKDGRSLELKM-UHFFFAOYSA-N 1 1 393.285 3.164 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000576952523 566393368 /nfs/dbraw/zinc/39/33/68/566393368.db2.gz LWFZWHMMBXRBDQ-CYBMUJFWSA-N 1 1 382.302 3.477 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc(Br)c1 ZINC000463428645 566410119 /nfs/dbraw/zinc/41/01/19/566410119.db2.gz KOXCWVYZEDIWDN-RDTXWAMCSA-N 1 1 380.330 3.366 20 30 GGEDMO N#CC1(F)CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000510932852 566420297 /nfs/dbraw/zinc/42/02/97/566420297.db2.gz GUQQRGJTKRZYLV-LBPRGKRZSA-N 1 1 391.668 3.170 20 30 GGEDMO N#Cc1ccc([C@@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)C(N)=O)cc1 ZINC000537349274 566440289 /nfs/dbraw/zinc/44/02/89/566440289.db2.gz KXRDUHUKFMWMAA-QGZVFWFLSA-N 1 1 378.259 3.198 20 30 GGEDMO Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1cn2cc(Br)ccc2[nH+]1 ZINC000484665774 566445180 /nfs/dbraw/zinc/44/51/80/566445180.db2.gz COHDOTIZHRLYSJ-UHFFFAOYSA-N 1 1 394.232 3.035 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000558182675 566456194 /nfs/dbraw/zinc/45/61/94/566456194.db2.gz PGEZUPZTTHWYMU-GFCCVEGCSA-N 1 1 390.256 3.427 20 30 GGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000602445657 566471915 /nfs/dbraw/zinc/47/19/15/566471915.db2.gz SCNOQABKZALMCA-KGLIPLIRSA-N 1 1 379.302 3.434 20 30 GGEDMO N#Cc1ccc(OCC[N@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000485123596 566478199 /nfs/dbraw/zinc/47/81/99/566478199.db2.gz OPCFZWRMXFPLBK-UHFFFAOYSA-N 1 1 381.295 3.256 20 30 GGEDMO N#Cc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1Br ZINC000448586353 566480147 /nfs/dbraw/zinc/48/01/47/566480147.db2.gz XHPXVJXCYHHQGU-HNNXBMFYSA-N 1 1 388.265 3.481 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511681055 566482138 /nfs/dbraw/zinc/48/21/38/566482138.db2.gz KJSBMVQDFRSNGX-OLZOCXBDSA-N 1 1 377.204 3.313 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511681055 566482142 /nfs/dbraw/zinc/48/21/42/566482142.db2.gz KJSBMVQDFRSNGX-OLZOCXBDSA-N 1 1 377.204 3.313 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448716131 566490399 /nfs/dbraw/zinc/49/03/99/566490399.db2.gz UEDNIEKFYNGUDF-OKILXGFUSA-N 1 1 378.314 3.419 20 30 GGEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000485727332 566521008 /nfs/dbraw/zinc/52/10/08/566521008.db2.gz KBKNTIRKXSZZNF-AWEZNQCLSA-N 1 1 375.519 3.353 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000603807394 566540141 /nfs/dbraw/zinc/54/01/41/566540141.db2.gz UQGMQIHPVMLFPB-KSSFIOAISA-N 1 1 396.329 3.203 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000603807394 566540148 /nfs/dbraw/zinc/54/01/48/566540148.db2.gz UQGMQIHPVMLFPB-KSSFIOAISA-N 1 1 396.329 3.203 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2ccnc(OC)n2)cc1OC ZINC000449374813 566554621 /nfs/dbraw/zinc/55/46/21/566554621.db2.gz GMDSDKOFMLRVHW-UHFFFAOYSA-N 1 1 394.269 3.111 20 30 GGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000449973227 566620440 /nfs/dbraw/zinc/62/04/40/566620440.db2.gz QMZMRTYGSWSABQ-DZGCQCFKSA-N 1 1 394.313 3.031 20 30 GGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)C[C@H]1C ZINC000449971976 566620462 /nfs/dbraw/zinc/62/04/62/566620462.db2.gz LZOOUDWKGMLJGL-ZIAGYGMSSA-N 1 1 394.313 3.031 20 30 GGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)COc1cccc(Br)c1C#N ZINC000449967721 566621063 /nfs/dbraw/zinc/62/10/63/566621063.db2.gz VTVOJHNINZDNBV-AWEZNQCLSA-N 1 1 394.313 3.032 20 30 GGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2cccc(Br)c2C#N)C[C@@H]1C ZINC000449971975 566621372 /nfs/dbraw/zinc/62/13/72/566621372.db2.gz LZOOUDWKGMLJGL-UONOGXRCSA-N 1 1 394.313 3.031 20 30 GGEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449964751 566621381 /nfs/dbraw/zinc/62/13/81/566621381.db2.gz JWOFXYXUOGBZTC-OAHLLOKOSA-N 1 1 394.313 3.032 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000579625631 566626235 /nfs/dbraw/zinc/62/62/35/566626235.db2.gz JFBNWOQWCCHMAM-UHFFFAOYSA-N 1 1 382.277 3.315 20 30 GGEDMO COC(=O)[C@@H]1C[N@@H+](CCCSCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425508846 566650352 /nfs/dbraw/zinc/65/03/52/566650352.db2.gz INRHJKCWSOCUSS-JKSUJKDBSA-N 1 1 397.338 3.284 20 30 GGEDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(C#N)c2Br)[C@@H]1c1ccccc1 ZINC000450274004 566652346 /nfs/dbraw/zinc/65/23/46/566652346.db2.gz FIZJGHYIMYDLQJ-WMZOPIPTSA-N 1 1 384.277 3.496 20 30 GGEDMO COCC[N@@H+](C)CCCC1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450416163 566668377 /nfs/dbraw/zinc/66/83/77/566668377.db2.gz DYOIJAKLPCFVDU-UHFFFAOYSA-N 1 1 395.345 3.291 20 30 GGEDMO N#Cc1cc(Br)cnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000450493824 566677953 /nfs/dbraw/zinc/67/79/53/566677953.db2.gz GVDSVVMCTMVTTM-CALCHBBNSA-N 1 1 383.293 3.284 20 30 GGEDMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccco1 ZINC000488011853 566703053 /nfs/dbraw/zinc/70/30/53/566703053.db2.gz ZBYOZSGHMNCBDP-CQSZACIVSA-N 1 1 377.242 3.338 20 30 GGEDMO Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000561438418 566704401 /nfs/dbraw/zinc/70/44/01/566704401.db2.gz RVZJHPIMFMUHAZ-UHFFFAOYSA-N 1 1 376.229 3.497 20 30 GGEDMO N#Cc1ccc(OCC[N@H+](CCO)Cc2cccc(Br)c2)cc1 ZINC000488198871 566713934 /nfs/dbraw/zinc/71/39/34/566713934.db2.gz JMNFNMLKBQHLKN-UHFFFAOYSA-N 1 1 375.266 3.194 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nc(C)c(Br)s1 ZINC000515637825 566725121 /nfs/dbraw/zinc/72/51/21/566725121.db2.gz FNZGUJAQJSGEBQ-CQSZACIVSA-N 1 1 397.338 3.472 20 30 GGEDMO C[N@@H+](CCCNS(=O)(=O)c1ccc(CC#N)cc1Cl)C1CCCCC1 ZINC000450978765 566728338 /nfs/dbraw/zinc/72/83/38/566728338.db2.gz ZWVUWIJYLSYWJV-UHFFFAOYSA-N 1 1 383.945 3.339 20 30 GGEDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000561786429 566740099 /nfs/dbraw/zinc/74/00/99/566740099.db2.gz FLEFWJCMOFWYAO-MRXNPFEDSA-N 1 1 382.957 3.074 20 30 GGEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccsc1 ZINC000451040585 566740402 /nfs/dbraw/zinc/74/04/02/566740402.db2.gz RWMRVSKLIZMXDK-HNNXBMFYSA-N 1 1 383.926 3.049 20 30 GGEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)C[C@H](O)COCc1ccccc1 ZINC000561864173 566744199 /nfs/dbraw/zinc/74/41/99/566744199.db2.gz BQTTXQHLMFZLNY-IBGZPJMESA-N 1 1 389.293 3.330 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1C#N)C[C@H](O)COCc1ccccc1 ZINC000561864173 566744207 /nfs/dbraw/zinc/74/42/07/566744207.db2.gz BQTTXQHLMFZLNY-IBGZPJMESA-N 1 1 389.293 3.330 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451064851 566747411 /nfs/dbraw/zinc/74/74/11/566747411.db2.gz SSLCXHMUMTWBCJ-GASCZTMLSA-N 1 1 383.945 3.052 20 30 GGEDMO Cc1c2cccc(Br)c2oc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000541996109 566767872 /nfs/dbraw/zinc/76/78/72/566767872.db2.gz IYDZYHRXHVNLPC-UHFFFAOYSA-N 1 1 376.254 3.222 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccsc1 ZINC000489113863 566771349 /nfs/dbraw/zinc/77/13/49/566771349.db2.gz HVQICDJDXAVDND-KRWDZBQOSA-N 1 1 381.498 3.120 20 30 GGEDMO CC1CCC([NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)CC1 ZINC000609675897 566779862 /nfs/dbraw/zinc/77/98/62/566779862.db2.gz FLJPDWSULFASNM-UHFFFAOYSA-N 1 1 381.929 3.097 20 30 GGEDMO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000427659079 566786463 /nfs/dbraw/zinc/78/64/63/566786463.db2.gz FKNUVJMQHLOMJF-OAHLLOKOSA-N 1 1 394.313 3.016 20 30 GGEDMO CC[N@@H+](CCOc1ccc(Br)cc1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469598531 566802219 /nfs/dbraw/zinc/80/22/19/566802219.db2.gz IVQGVAADBQOGAA-CQSZACIVSA-N 1 1 394.313 3.101 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)CC1 ZINC000655502296 566805053 /nfs/dbraw/zinc/80/50/53/566805053.db2.gz HOOWYEYTFDUWOB-UHFFFAOYSA-N 1 1 377.535 3.047 20 30 GGEDMO CCC[N@@H+](C)[C@H](CNS(=O)(=O)CC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000451525411 566831651 /nfs/dbraw/zinc/83/16/51/566831651.db2.gz ANILMIKJKLHSIW-QGZVFWFLSA-N 1 1 383.945 3.336 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470013062 566838444 /nfs/dbraw/zinc/83/84/44/566838444.db2.gz UPTCRBJWZRHXRC-DZGCQCFKSA-N 1 1 384.307 3.455 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470013062 566838451 /nfs/dbraw/zinc/83/84/51/566838451.db2.gz UPTCRBJWZRHXRC-DZGCQCFKSA-N 1 1 384.307 3.455 20 30 GGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1Cl ZINC000428485936 566849100 /nfs/dbraw/zinc/84/91/00/566849100.db2.gz WFJCZBTZSMYRML-ZDUSSCGKSA-N 1 1 376.806 3.405 20 30 GGEDMO C[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1Cc1ccccc1 ZINC000451759634 566875969 /nfs/dbraw/zinc/87/59/69/566875969.db2.gz SLJWRDYQGDPACU-SFHVURJKSA-N 1 1 398.304 3.320 20 30 GGEDMO C[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1Cc1ccccc1 ZINC000451759634 566875979 /nfs/dbraw/zinc/87/59/79/566875979.db2.gz SLJWRDYQGDPACU-SFHVURJKSA-N 1 1 398.304 3.320 20 30 GGEDMO COc1ccc(Br)c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428779401 566877170 /nfs/dbraw/zinc/87/71/70/566877170.db2.gz FJAYNSILSDZMDY-MRXNPFEDSA-N 1 1 388.265 3.378 20 30 GGEDMO COc1ccc(Br)c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428779401 566877173 /nfs/dbraw/zinc/87/71/73/566877173.db2.gz FJAYNSILSDZMDY-MRXNPFEDSA-N 1 1 388.265 3.378 20 30 GGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429006778 566899504 /nfs/dbraw/zinc/89/95/04/566899504.db2.gz UGCXECKRIJJYLD-MLGOLLRUSA-N 1 1 387.293 3.024 20 30 GGEDMO C=CC[N@H+](C)CCN(CC)Cc1nc(-c2cccc(Br)c2)no1 ZINC000429702373 566946332 /nfs/dbraw/zinc/94/63/32/566946332.db2.gz NSKIRFHGWVJYDQ-UHFFFAOYSA-N 1 1 379.302 3.439 20 30 GGEDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(Cl)c1Cl ZINC000564148365 566949900 /nfs/dbraw/zinc/94/99/00/566949900.db2.gz QKBIXVFMXKOWFL-NSHDSACASA-N 1 1 384.288 3.385 20 30 GGEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(Cl)c1Cl ZINC000564148353 566950459 /nfs/dbraw/zinc/95/04/59/566950459.db2.gz QKBIXVFMXKOWFL-LLVKDONJSA-N 1 1 384.288 3.385 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000519670773 566956244 /nfs/dbraw/zinc/95/62/44/566956244.db2.gz GVOBIFKBTQJDRW-OAHLLOKOSA-N 1 1 378.263 3.337 20 30 GGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000564312798 566963236 /nfs/dbraw/zinc/96/32/36/566963236.db2.gz QDNKZOHKQQAIMH-INIZCTEOSA-N 1 1 386.945 3.008 20 30 GGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000564312798 566963242 /nfs/dbraw/zinc/96/32/42/566963242.db2.gz QDNKZOHKQQAIMH-INIZCTEOSA-N 1 1 386.945 3.008 20 30 GGEDMO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000519917909 566978608 /nfs/dbraw/zinc/97/86/08/566978608.db2.gz QBUQCMPPFXGWHF-UHFFFAOYSA-N 1 1 386.293 3.459 20 30 GGEDMO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000519917909 566978617 /nfs/dbraw/zinc/97/86/17/566978617.db2.gz QBUQCMPPFXGWHF-UHFFFAOYSA-N 1 1 386.293 3.459 20 30 GGEDMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000494267405 566980602 /nfs/dbraw/zinc/98/06/02/566980602.db2.gz GSHFNRUJXRONNL-HNNXBMFYSA-N 1 1 393.256 3.332 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000520558666 567012244 /nfs/dbraw/zinc/01/22/44/567012244.db2.gz XSENKLXDJBJBCD-UHFFFAOYSA-N 1 1 376.298 3.300 20 30 GGEDMO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cccc(Br)c1 ZINC000521220889 567048789 /nfs/dbraw/zinc/04/87/89/567048789.db2.gz TUXYWLHBEZARJW-UHFFFAOYSA-N 1 1 386.293 3.459 20 30 GGEDMO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cccc(Br)c1 ZINC000521220889 567048793 /nfs/dbraw/zinc/04/87/93/567048793.db2.gz TUXYWLHBEZARJW-UHFFFAOYSA-N 1 1 386.293 3.459 20 30 GGEDMO C[NH+]1CCN(c2ncc(Br)cc2NCc2cc(C#N)cs2)CC1 ZINC000453049602 567049983 /nfs/dbraw/zinc/04/99/83/567049983.db2.gz BPYRTQNCIPRFKF-UHFFFAOYSA-N 1 1 392.326 3.141 20 30 GGEDMO C[C@H]1COCC[N@H+]1C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000584538305 567052100 /nfs/dbraw/zinc/05/21/00/567052100.db2.gz LWLYGEXQUGXWAL-AWEZNQCLSA-N 1 1 378.314 3.006 20 30 GGEDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1Cl ZINC000521503296 567063588 /nfs/dbraw/zinc/06/35/88/567063588.db2.gz ZNYZIZBMFZWIOS-NSHDSACASA-N 1 1 384.288 3.385 20 30 GGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ncc(I)s1 ZINC000586778990 567096759 /nfs/dbraw/zinc/09/67/59/567096759.db2.gz SNPWZLITZXIBHK-GFCCVEGCSA-N 1 1 381.242 3.396 20 30 GGEDMO C[N@H+](CCOc1ccccc1C#N)CC(=O)Nc1ccccc1Br ZINC000497585782 567110501 /nfs/dbraw/zinc/11/05/01/567110501.db2.gz SXEBCLWFTRUFDJ-UHFFFAOYSA-N 1 1 388.265 3.270 20 30 GGEDMO C[N@@H+](CCOc1ccccc1C#N)CC(=O)Nc1ccccc1Br ZINC000497585782 567110522 /nfs/dbraw/zinc/11/05/22/567110522.db2.gz SXEBCLWFTRUFDJ-UHFFFAOYSA-N 1 1 388.265 3.270 20 30 GGEDMO N#CCCC1CC[NH+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000566173261 567133846 /nfs/dbraw/zinc/13/38/46/567133846.db2.gz LNPCVPSNGKWUGW-UHFFFAOYSA-N 1 1 397.260 3.245 20 30 GGEDMO C[N@H+](CCOc1cccc(Cl)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000432778472 567190914 /nfs/dbraw/zinc/19/09/14/567190914.db2.gz YNRYVYCWORXBRG-INIZCTEOSA-N 1 1 375.881 3.389 20 30 GGEDMO C[N@@H+](CCOc1cccc(Cl)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000432778472 567190920 /nfs/dbraw/zinc/19/09/20/567190920.db2.gz YNRYVYCWORXBRG-INIZCTEOSA-N 1 1 375.881 3.389 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cn4ccc(Br)cc4n3)C2)nc1 ZINC000590051993 567206249 /nfs/dbraw/zinc/20/62/49/567206249.db2.gz OMQCFEQFUOQDKI-MRXNPFEDSA-N 1 1 398.264 3.017 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cn4ccc(Br)cc4n3)C2)nc1 ZINC000590051993 567206259 /nfs/dbraw/zinc/20/62/59/567206259.db2.gz OMQCFEQFUOQDKI-MRXNPFEDSA-N 1 1 398.264 3.017 20 30 GGEDMO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294208 567240636 /nfs/dbraw/zinc/24/06/36/567240636.db2.gz KHYGHNCVQUNVMQ-APWZRJJASA-N 1 1 398.304 3.412 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433295184 567240652 /nfs/dbraw/zinc/24/06/52/567240652.db2.gz CJYGKIBWFYVIKH-DNVCBOLYSA-N 1 1 390.325 3.122 20 30 GGEDMO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294210 567240863 /nfs/dbraw/zinc/24/08/63/567240863.db2.gz KHYGHNCVQUNVMQ-QFBILLFUSA-N 1 1 398.304 3.412 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)nc1 ZINC000525633803 567256284 /nfs/dbraw/zinc/25/62/84/567256284.db2.gz ZOXAGVGOTPGXNV-UHFFFAOYSA-N 1 1 377.275 3.461 20 30 GGEDMO CC[N@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000525635471 567257372 /nfs/dbraw/zinc/25/73/72/567257372.db2.gz AWKRYZTZCQQAKB-SFHVURJKSA-N 1 1 396.329 3.204 20 30 GGEDMO CC[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000525635471 567257376 /nfs/dbraw/zinc/25/73/76/567257376.db2.gz AWKRYZTZCQQAKB-SFHVURJKSA-N 1 1 396.329 3.204 20 30 GGEDMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1cc(Br)ccc1C#N ZINC000591241486 567269496 /nfs/dbraw/zinc/26/94/96/567269496.db2.gz CPMLWFYATSBJEH-QGZVFWFLSA-N 1 1 375.266 3.192 20 30 GGEDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1cc(Br)ccc1C#N ZINC000591241485 567270195 /nfs/dbraw/zinc/27/01/95/567270195.db2.gz CPMLWFYATSBJEH-KRWDZBQOSA-N 1 1 375.266 3.192 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](CC(N)=O)C2)cc1OCC ZINC000685474716 567277932 /nfs/dbraw/zinc/27/79/32/567277932.db2.gz KITYRYPKROLOPT-CYBMUJFWSA-N 1 1 397.313 3.110 20 30 GGEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(I)cc2)nn1 ZINC000591659773 567290532 /nfs/dbraw/zinc/29/05/32/567290532.db2.gz XEWJSBMDHHLJFZ-HNNXBMFYSA-N 1 1 382.249 3.310 20 30 GGEDMO Cc1cc(C2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)ccc1Br ZINC000526135236 567295191 /nfs/dbraw/zinc/29/51/91/567295191.db2.gz LHKYOKOPDJUSFH-UHFFFAOYSA-N 1 1 390.325 3.499 20 30 GGEDMO C[NH+](C)[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000548450352 567317271 /nfs/dbraw/zinc/31/72/71/567317271.db2.gz LGGYFCQABGIRTJ-KRWDZBQOSA-N 1 1 383.945 3.336 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000527298589 567328450 /nfs/dbraw/zinc/32/84/50/567328450.db2.gz OXXJSHZDULQFKX-AWEZNQCLSA-N 1 1 390.325 3.363 20 30 GGEDMO CCCCOCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501025964 567358936 /nfs/dbraw/zinc/35/89/36/567358936.db2.gz GXVFLZRXYCNZSM-GOSISDBHSA-N 1 1 380.330 3.448 20 30 GGEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 ZINC000548978574 567364419 /nfs/dbraw/zinc/36/44/19/567364419.db2.gz DNACGUBRSPONCL-MRXNPFEDSA-N 1 1 398.315 3.446 20 30 GGEDMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1)CC1CC1 ZINC000435439277 567367619 /nfs/dbraw/zinc/36/76/19/567367619.db2.gz RZRUCZZRONXCKU-UHFFFAOYSA-N 1 1 381.567 3.142 20 30 GGEDMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1)CC(C)C ZINC000435443141 567369222 /nfs/dbraw/zinc/36/92/22/567369222.db2.gz OUHWSPCHNGYGHN-UHFFFAOYSA-N 1 1 383.583 3.388 20 30 GGEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000549246893 567380888 /nfs/dbraw/zinc/38/08/88/567380888.db2.gz ICURKIXMSCRZJV-QGZVFWFLSA-N 1 1 398.315 3.446 20 30 GGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000501386723 567385563 /nfs/dbraw/zinc/38/55/63/567385563.db2.gz IQBCDYDBUBTRCH-HNNXBMFYSA-N 1 1 381.314 3.349 20 30 GGEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000618883504 567420946 /nfs/dbraw/zinc/42/09/46/567420946.db2.gz HRDSPDOGKDLEJQ-GFCCVEGCSA-N 1 1 382.291 3.190 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2ccc(Br)cc2)CC1)C1CC1 ZINC000619723037 567475229 /nfs/dbraw/zinc/47/52/29/567475229.db2.gz FGZSRNHIMKKWOI-IBGZPJMESA-N 1 1 390.325 3.437 20 30 GGEDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594757101 567508259 /nfs/dbraw/zinc/50/82/59/567508259.db2.gz KUSZTNLYGQYLKJ-OAHLLOKOSA-N 1 1 377.535 3.044 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000458009058 567513796 /nfs/dbraw/zinc/51/37/96/567513796.db2.gz DARBRMIRNCQPGD-ZDUSSCGKSA-N 1 1 385.327 3.390 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000458009058 567513804 /nfs/dbraw/zinc/51/38/04/567513804.db2.gz DARBRMIRNCQPGD-ZDUSSCGKSA-N 1 1 385.327 3.390 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)cn3)C2=O)cc1 ZINC000503950679 567515287 /nfs/dbraw/zinc/51/52/87/567515287.db2.gz ZQTSRQCWBLMEFD-QGZVFWFLSA-N 1 1 385.265 3.001 20 30 GGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438840668 567550338 /nfs/dbraw/zinc/55/03/38/567550338.db2.gz NUKRZDPFJCDCOA-KRWDZBQOSA-N 1 1 393.256 3.332 20 30 GGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438844949 567550927 /nfs/dbraw/zinc/55/09/27/567550927.db2.gz ZOYLZGAQAXQIJZ-KRWDZBQOSA-N 1 1 393.256 3.332 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1OCC ZINC000552071653 567555034 /nfs/dbraw/zinc/55/50/34/567555034.db2.gz XEQCZEMBMBKIAR-OAHLLOKOSA-N 1 1 397.313 3.075 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1OCC ZINC000552071653 567555041 /nfs/dbraw/zinc/55/50/41/567555041.db2.gz XEQCZEMBMBKIAR-OAHLLOKOSA-N 1 1 397.313 3.075 20 30 GGEDMO C=CC[N@H+](C)CCN(CC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000439011591 567562158 /nfs/dbraw/zinc/56/21/58/567562158.db2.gz ZNGKWBWGAYDSRO-UHFFFAOYSA-N 1 1 390.272 3.106 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617483 567574172 /nfs/dbraw/zinc/57/41/72/567574172.db2.gz WDYKUQMBYRQXRG-STQMWFEESA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617483 567574176 /nfs/dbraw/zinc/57/41/76/567574176.db2.gz WDYKUQMBYRQXRG-STQMWFEESA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617477 567574192 /nfs/dbraw/zinc/57/41/92/567574192.db2.gz WDYKUQMBYRQXRG-CHWSQXEVSA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617477 567574194 /nfs/dbraw/zinc/57/41/94/567574194.db2.gz WDYKUQMBYRQXRG-CHWSQXEVSA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000530335770 567593465 /nfs/dbraw/zinc/59/34/65/567593465.db2.gz TVBOFWIIDPTPDU-JSGCOSHPSA-N 1 1 382.291 3.397 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000530335770 567593471 /nfs/dbraw/zinc/59/34/71/567593471.db2.gz TVBOFWIIDPTPDU-JSGCOSHPSA-N 1 1 382.291 3.397 20 30 GGEDMO Cc1ccc2c(ncc(C#N)c2NCC[N@H+]2CCCOCC2)c1Br ZINC000530426931 567601620 /nfs/dbraw/zinc/60/16/20/567601620.db2.gz WZOAUGAXEZYUFM-UHFFFAOYSA-N 1 1 389.297 3.312 20 30 GGEDMO N#Cc1nc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)sc1Cl ZINC000596157314 567612820 /nfs/dbraw/zinc/61/28/20/567612820.db2.gz YAZBZCVBOUOGCT-UHFFFAOYSA-N 1 1 380.876 3.184 20 30 GGEDMO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000506256683 567619029 /nfs/dbraw/zinc/61/90/29/567619029.db2.gz YCYPKVABIAOLAB-UHFFFAOYSA-N 1 1 381.929 3.098 20 30 GGEDMO C=CCOc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000506613678 567633903 /nfs/dbraw/zinc/63/39/03/567633903.db2.gz SLEJETXENABIKP-QGZVFWFLSA-N 1 1 375.266 3.330 20 30 GGEDMO C=CCOc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1 ZINC000506617398 567634289 /nfs/dbraw/zinc/63/42/89/567634289.db2.gz JALGCHIGUFDFSJ-KRWDZBQOSA-N 1 1 375.266 3.330 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000645521946 567636913 /nfs/dbraw/zinc/63/69/13/567636913.db2.gz APUQYQCTNOPEKZ-UHFFFAOYSA-N 1 1 398.834 3.167 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531334128 567653923 /nfs/dbraw/zinc/65/39/23/567653923.db2.gz OWNUYVFVQUIGDH-QGZVFWFLSA-N 1 1 377.897 3.101 20 30 GGEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1Cl ZINC000507352263 567677261 /nfs/dbraw/zinc/67/72/61/567677261.db2.gz IXGDMLOACTVWEP-INIZCTEOSA-N 1 1 386.945 3.199 20 30 GGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1Cl ZINC000507352263 567677263 /nfs/dbraw/zinc/67/72/63/567677263.db2.gz IXGDMLOACTVWEP-INIZCTEOSA-N 1 1 386.945 3.199 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443094208 567731655 /nfs/dbraw/zinc/73/16/55/567731655.db2.gz CIVXZSSCMDKSIL-GASCZTMLSA-N 1 1 383.945 3.248 20 30 GGEDMO Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1C#N ZINC000533095821 567751725 /nfs/dbraw/zinc/75/17/25/567751725.db2.gz UYTQZXGCNGXUJH-QGZVFWFLSA-N 1 1 377.897 3.101 20 30 GGEDMO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000598727124 567785606 /nfs/dbraw/zinc/78/56/06/567785606.db2.gz ZGYFJBAKWXXYKI-ZETCQYMHSA-N 1 1 383.183 3.396 20 30 GGEDMO Cc1cc(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1C#N ZINC000574631581 567789582 /nfs/dbraw/zinc/78/95/82/567789582.db2.gz MTRBIXFIFFEZFP-GOSISDBHSA-N 1 1 377.897 3.101 20 30 GGEDMO Cc1cc(Br)cc2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)oc21 ZINC000534344410 567808579 /nfs/dbraw/zinc/80/85/79/567808579.db2.gz DFPIXJZSMWJZJT-UHFFFAOYSA-N 1 1 376.254 3.222 20 30 GGEDMO C[N@H+](Cc1ccc(Br)s1)C[C@@H](O)COc1ccccc1C#N ZINC000599259992 567811660 /nfs/dbraw/zinc/81/16/60/567811660.db2.gz SXZNANHQUFKHTP-CYBMUJFWSA-N 1 1 381.295 3.254 20 30 GGEDMO N#Cc1ccc(CSCC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000048172064 570220165 /nfs/dbraw/zinc/22/01/65/570220165.db2.gz RCVZVEPTUNZUHD-UHFFFAOYSA-N 1 1 379.529 3.178 20 30 GGEDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1)cc2=O ZINC000103427204 570884990 /nfs/dbraw/zinc/88/49/90/570884990.db2.gz NTBMFRPSKBZROU-CQSZACIVSA-N 1 1 393.447 3.066 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000053075984 570984646 /nfs/dbraw/zinc/98/46/46/570984646.db2.gz WVLNYAUTMUPRPO-MRXNPFEDSA-N 1 1 380.492 3.274 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000053075984 570984647 /nfs/dbraw/zinc/98/46/47/570984647.db2.gz WVLNYAUTMUPRPO-MRXNPFEDSA-N 1 1 380.492 3.274 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000053075981 570984651 /nfs/dbraw/zinc/98/46/51/570984651.db2.gz WVLNYAUTMUPRPO-INIZCTEOSA-N 1 1 380.492 3.274 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000053075981 570984652 /nfs/dbraw/zinc/98/46/52/570984652.db2.gz WVLNYAUTMUPRPO-INIZCTEOSA-N 1 1 380.492 3.274 20 30 GGEDMO CC[C@@H](C#N)Oc1cc(CNc2[nH+]c(C)cc(C)c2-c2nn[nH]n2)ccc1OC ZINC000736308728 598829750 /nfs/dbraw/zinc/82/97/50/598829750.db2.gz HISHBAGKPNDYKT-HNNXBMFYSA-N 1 1 393.451 3.180 20 30 GGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000735425757 599130343 /nfs/dbraw/zinc/13/03/43/599130343.db2.gz FKYGFVALFDDKRP-KRWDZBQOSA-N 1 1 398.511 3.112 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000736813360 600593546 /nfs/dbraw/zinc/59/35/46/600593546.db2.gz DJAQSZWXJXPOQN-HYFFOGBASA-N 1 1 393.487 3.083 20 30 GGEDMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000826182732 607519422 /nfs/dbraw/zinc/51/94/22/607519422.db2.gz SCAKTUQCIRNFKP-UHFFFAOYSA-N 1 1 376.464 3.405 20 30 GGEDMO Clc1ccc(C#CC[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000822574350 606108709 /nfs/dbraw/zinc/10/87/09/606108709.db2.gz SEYSSZKMUJLHCH-UHFFFAOYSA-N 1 1 392.894 3.084 20 30 GGEDMO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435269 607921414 /nfs/dbraw/zinc/92/14/14/607921414.db2.gz RQLFJFGNMURFIJ-CQSZACIVSA-N 1 1 390.447 3.108 20 30 GGEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435269 607921415 /nfs/dbraw/zinc/92/14/15/607921415.db2.gz RQLFJFGNMURFIJ-CQSZACIVSA-N 1 1 390.447 3.108 20 30 GGEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C1CC1 ZINC000052940504 1406237395 /nfs/dbraw/zinc/23/73/95/1406237395.db2.gz RIMMPMALGIELMK-UHFFFAOYSA-N 1 1 384.455 3.154 20 30 GGEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C1CC1 ZINC000052940504 1406237412 /nfs/dbraw/zinc/23/74/12/1406237412.db2.gz RIMMPMALGIELMK-UHFFFAOYSA-N 1 1 384.455 3.154 20 30 GGEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)C1CC1 ZINC000052993582 1406251845 /nfs/dbraw/zinc/25/18/45/1406251845.db2.gz AJKOIPZBDZPHPD-HXUWFJFHSA-N 1 1 386.883 3.469 20 30 GGEDMO CCSc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000053026561 1406267338 /nfs/dbraw/zinc/26/73/38/1406267338.db2.gz UDKCYBGHHDYIES-UHFFFAOYSA-N 1 1 380.517 3.413 20 30 GGEDMO CCSc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000053026561 1406267352 /nfs/dbraw/zinc/26/73/52/1406267352.db2.gz UDKCYBGHHDYIES-UHFFFAOYSA-N 1 1 380.517 3.413 20 30 GGEDMO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)N[C@](C)(C#N)C4CC4)CC3)c2c1 ZINC000053073041 1406281472 /nfs/dbraw/zinc/28/14/72/1406281472.db2.gz HRMBSIVDARIDJZ-JOCHJYFZSA-N 1 1 378.476 3.074 20 30 GGEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)N[C@](C)(C#N)C4CC4)CC3)c2c1 ZINC000053073041 1406281484 /nfs/dbraw/zinc/28/14/84/1406281484.db2.gz HRMBSIVDARIDJZ-JOCHJYFZSA-N 1 1 378.476 3.074 20 30 GGEDMO CC(C)CC[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000053366053 1406377873 /nfs/dbraw/zinc/37/78/73/1406377873.db2.gz GHBUAFKNAWUAAC-KRWDZBQOSA-N 1 1 386.540 3.334 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000053404921 1406386825 /nfs/dbraw/zinc/38/68/25/1406386825.db2.gz AOUVQUNKMFKINT-QGZVFWFLSA-N 1 1 387.524 3.353 20 30 GGEDMO C[NH+](C)C1(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000053958403 1406569580 /nfs/dbraw/zinc/56/95/80/1406569580.db2.gz BBSZLMLTCXOKOM-UHFFFAOYSA-N 1 1 397.567 3.040 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3cccc(F)c3)CC2)cc1 ZINC000053999268 1406583964 /nfs/dbraw/zinc/58/39/64/1406583964.db2.gz YDTJTZIZPXJWAJ-UHFFFAOYSA-N 1 1 380.467 3.157 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000054338141 1406696223 /nfs/dbraw/zinc/69/62/23/1406696223.db2.gz XDHKMEDUSKIHGP-JTHBVZDNSA-N 1 1 380.488 3.174 20 30 GGEDMO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1cccc(F)c1 ZINC000054425863 1406732031 /nfs/dbraw/zinc/73/20/31/1406732031.db2.gz VVBCTEGCVCYYCU-UHFFFAOYSA-N 1 1 388.830 3.250 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1cccc(F)c1 ZINC000054425863 1406732045 /nfs/dbraw/zinc/73/20/45/1406732045.db2.gz VVBCTEGCVCYYCU-UHFFFAOYSA-N 1 1 388.830 3.250 20 30 GGEDMO CSc1cccc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054454782 1406741440 /nfs/dbraw/zinc/74/14/40/1406741440.db2.gz SBQBRIZCGJQYRW-UHFFFAOYSA-N 1 1 394.544 3.427 20 30 GGEDMO Cc1cccc(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054454789 1406741973 /nfs/dbraw/zinc/74/19/73/1406741973.db2.gz GSPMQAXXHNCTGJ-IBGZPJMESA-N 1 1 376.504 3.402 20 30 GGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000054805804 1406829436 /nfs/dbraw/zinc/82/94/36/1406829436.db2.gz ITOYHGIVDNSPPT-IBGZPJMESA-N 1 1 397.567 3.290 20 30 GGEDMO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054868066 1406839423 /nfs/dbraw/zinc/83/94/23/1406839423.db2.gz YEHIYXHHRSIMKS-WOIUINJBSA-N 1 1 382.552 3.149 20 30 GGEDMO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054868066 1406839430 /nfs/dbraw/zinc/83/94/30/1406839430.db2.gz YEHIYXHHRSIMKS-WOIUINJBSA-N 1 1 382.552 3.149 20 30 GGEDMO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054868066 1406839432 /nfs/dbraw/zinc/83/94/32/1406839432.db2.gz YEHIYXHHRSIMKS-WOIUINJBSA-N 1 1 382.552 3.149 20 30 GGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000054939387 1406853888 /nfs/dbraw/zinc/85/38/88/1406853888.db2.gz SCXMRHJVVUQIFH-KDOFPFPSSA-N 1 1 396.878 3.102 20 30 GGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000054939385 1406854443 /nfs/dbraw/zinc/85/44/43/1406854443.db2.gz SCXMRHJVVUQIFH-KSSFIOAISA-N 1 1 396.878 3.102 20 30 GGEDMO Cc1ccccc1NC(=O)[C@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055102330 1406885734 /nfs/dbraw/zinc/88/57/34/1406885734.db2.gz FGOJMDULSQUIQG-IBGZPJMESA-N 1 1 376.504 3.402 20 30 GGEDMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000055309815 1406926410 /nfs/dbraw/zinc/92/64/10/1406926410.db2.gz YCVCYEGDXUFTCZ-UHFFFAOYSA-N 1 1 395.478 3.373 20 30 GGEDMO CCN1C[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)Oc2ccccc21 ZINC000010056830 1398874210 /nfs/dbraw/zinc/87/42/10/1398874210.db2.gz KFAXMLDTSBJEOW-FUHWJXTLSA-N 1 1 378.476 3.105 20 30 GGEDMO CCN1C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)Oc2ccccc21 ZINC000010056830 1398874211 /nfs/dbraw/zinc/87/42/11/1398874211.db2.gz KFAXMLDTSBJEOW-FUHWJXTLSA-N 1 1 378.476 3.105 20 30 GGEDMO COc1cc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)ccc1OC(F)F ZINC000011478366 1398983579 /nfs/dbraw/zinc/98/35/79/1398983579.db2.gz VLTXAKGVGVISCO-HXUWFJFHSA-N 1 1 393.434 3.069 20 30 GGEDMO COc1cc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C2CC2)ccc1OC(F)F ZINC000011478366 1398983588 /nfs/dbraw/zinc/98/35/88/1398983588.db2.gz VLTXAKGVGVISCO-HXUWFJFHSA-N 1 1 393.434 3.069 20 30 GGEDMO CN(C(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)C1(C#N)CCCCC1 ZINC000015029713 1399132788 /nfs/dbraw/zinc/13/27/88/1399132788.db2.gz QYEKUCSZKQOCLH-QGZVFWFLSA-N 1 1 375.538 3.414 20 30 GGEDMO CN(C(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1)C1(C#N)CCCCC1 ZINC000015029713 1399132792 /nfs/dbraw/zinc/13/27/92/1399132792.db2.gz QYEKUCSZKQOCLH-QGZVFWFLSA-N 1 1 375.538 3.414 20 30 GGEDMO COc1ccc(NC(=O)CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)c(OC)c1 ZINC000015397261 1399160847 /nfs/dbraw/zinc/16/08/47/1399160847.db2.gz LKGOIMDYYFEYDP-UHFFFAOYSA-N 1 1 387.480 3.148 20 30 GGEDMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000015449480 1399165270 /nfs/dbraw/zinc/16/52/70/1399165270.db2.gz PWMCEPCUPDXJSO-LJQANCHMSA-N 1 1 380.444 3.238 20 30 GGEDMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000015449480 1399165274 /nfs/dbraw/zinc/16/52/74/1399165274.db2.gz PWMCEPCUPDXJSO-LJQANCHMSA-N 1 1 380.444 3.238 20 30 GGEDMO COc1ccc([C@@H](CNS(=O)(=O)c2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000016084748 1399207921 /nfs/dbraw/zinc/20/79/21/1399207921.db2.gz PLVDATVHRQIQJQ-HXUWFJFHSA-N 1 1 399.516 3.072 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000016500847 1399246161 /nfs/dbraw/zinc/24/61/61/1399246161.db2.gz QEUVEQXWBQYVKZ-UHFFFAOYSA-N 1 1 379.420 3.206 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000016500847 1399246167 /nfs/dbraw/zinc/24/61/67/1399246167.db2.gz QEUVEQXWBQYVKZ-UHFFFAOYSA-N 1 1 379.420 3.206 20 30 GGEDMO COc1ccc(CNC(=S)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017517679 1399284640 /nfs/dbraw/zinc/28/46/40/1399284640.db2.gz RWQATGYLUMFOPR-UHFFFAOYSA-N 1 1 394.544 3.149 20 30 GGEDMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000017740648 1399289512 /nfs/dbraw/zinc/28/95/12/1399289512.db2.gz MKBSJVOFGUFVRM-LJQANCHMSA-N 1 1 385.895 3.082 20 30 GGEDMO C=CCc1cc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC ZINC000021062547 1399363314 /nfs/dbraw/zinc/36/33/14/1399363314.db2.gz WTFYTGYUFBXZQY-HZPDHXFCSA-N 1 1 390.524 3.050 20 30 GGEDMO C[C@H](C(=O)Nc1c(F)cccc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406220 1399379204 /nfs/dbraw/zinc/37/92/04/1399379204.db2.gz FABFCZSZFDKHEF-MRXNPFEDSA-N 1 1 398.457 3.371 20 30 GGEDMO COc1ccccc1[C@@H](C)NC(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000022184977 1399442253 /nfs/dbraw/zinc/44/22/53/1399442253.db2.gz LUGMNBMROCTRKM-XSXQVXRUSA-N 1 1 385.508 3.378 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc2c(c1)OCCO2 ZINC000022199053 1399444748 /nfs/dbraw/zinc/44/47/48/1399444748.db2.gz RCABNOWIWMHYAZ-UHFFFAOYSA-N 1 1 397.500 3.340 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000022983171 1399521138 /nfs/dbraw/zinc/52/11/38/1399521138.db2.gz MMDYQZQYSDIRGY-UHFFFAOYSA-N 1 1 386.496 3.295 20 30 GGEDMO N#Cc1ccsc1NC(=O)CCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000022983171 1399521142 /nfs/dbraw/zinc/52/11/42/1399521142.db2.gz MMDYQZQYSDIRGY-UHFFFAOYSA-N 1 1 386.496 3.295 20 30 GGEDMO N#Cc1ccsc1NC(=O)CCN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000022983171 1399521148 /nfs/dbraw/zinc/52/11/48/1399521148.db2.gz MMDYQZQYSDIRGY-UHFFFAOYSA-N 1 1 386.496 3.295 20 30 GGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)cc1 ZINC000023245015 1399543477 /nfs/dbraw/zinc/54/34/77/1399543477.db2.gz GKZUMMHNTKZCPI-GOSISDBHSA-N 1 1 393.487 3.069 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023354390 1399552456 /nfs/dbraw/zinc/55/24/56/1399552456.db2.gz MVOGPXXHKKARFL-FQEVSTJZSA-N 1 1 376.504 3.140 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000023451180 1399562045 /nfs/dbraw/zinc/56/20/45/1399562045.db2.gz MXTWXVWHUVJKIU-UHFFFAOYSA-N 1 1 385.471 3.296 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000023451180 1399562050 /nfs/dbraw/zinc/56/20/50/1399562050.db2.gz MXTWXVWHUVJKIU-UHFFFAOYSA-N 1 1 385.471 3.296 20 30 GGEDMO CCOc1ccc(OCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023752025 1399582885 /nfs/dbraw/zinc/58/28/85/1399582885.db2.gz BCVODYLDCKRCKQ-UHFFFAOYSA-N 1 1 393.487 3.070 20 30 GGEDMO CCOc1ccc(OCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023752025 1399582888 /nfs/dbraw/zinc/58/28/88/1399582888.db2.gz BCVODYLDCKRCKQ-UHFFFAOYSA-N 1 1 393.487 3.070 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000023753200 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PUYNCMXAVZNRNC-UHFFFAOYSA-N 1 1 381.476 3.391 20 30 GGEDMO COc1cc(C)c(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000024743643 1399665415 /nfs/dbraw/zinc/66/54/15/1399665415.db2.gz PUYNCMXAVZNRNC-UHFFFAOYSA-N 1 1 381.476 3.391 20 30 GGEDMO COc1cc(C)c(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000024804417 1399673609 /nfs/dbraw/zinc/67/36/09/1399673609.db2.gz KYRZZDLKMCCJSI-IBGZPJMESA-N 1 1 379.460 3.121 20 30 GGEDMO COc1cc(C)c(C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000024804417 1399673612 /nfs/dbraw/zinc/67/36/12/1399673612.db2.gz KYRZZDLKMCCJSI-IBGZPJMESA-N 1 1 379.460 3.121 20 30 GGEDMO COC(=O)c1sccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000025103196 1399743726 /nfs/dbraw/zinc/74/37/26/1399743726.db2.gz ZXEJUSCYPALFBO-UHFFFAOYSA-N 1 1 398.488 3.146 20 30 GGEDMO COC(=O)c1sccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000025103196 1399743746 /nfs/dbraw/zinc/74/37/46/1399743746.db2.gz ZXEJUSCYPALFBO-UHFFFAOYSA-N 1 1 398.488 3.146 20 30 GGEDMO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000025226663 1399776388 /nfs/dbraw/zinc/77/63/88/1399776388.db2.gz HRNAPTMFDUZXLI-QHCPKHFHSA-N 1 1 393.531 3.041 20 30 GGEDMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000025303973 1399793811 /nfs/dbraw/zinc/79/38/11/1399793811.db2.gz UWFACWOLJJESNP-QHCPKHFHSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1ccc(C)c(OC[C@@H](O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000025303973 1399793823 /nfs/dbraw/zinc/79/38/23/1399793823.db2.gz UWFACWOLJJESNP-QHCPKHFHSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1ccc(C)c(OC[C@@H](O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000025303973 1399793847 /nfs/dbraw/zinc/79/38/47/1399793847.db2.gz UWFACWOLJJESNP-QHCPKHFHSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1ccc(OC[C@@H](O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000025303987 1399794277 /nfs/dbraw/zinc/79/42/77/1399794277.db2.gz GCIIGLIYGCTKBJ-QHCPKHFHSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1ccc(OC[C@@H](O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000025303987 1399794295 /nfs/dbraw/zinc/79/42/95/1399794295.db2.gz GCIIGLIYGCTKBJ-QHCPKHFHSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1ccc(OC[C@@H](O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000025303987 1399794308 /nfs/dbraw/zinc/79/43/08/1399794308.db2.gz GCIIGLIYGCTKBJ-QHCPKHFHSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000025303977 1399794363 /nfs/dbraw/zinc/79/43/63/1399794363.db2.gz UWFACWOLJJESNP-HSZRJFAPSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1ccc(C)c(OC[C@H](O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000025303977 1399794367 /nfs/dbraw/zinc/79/43/67/1399794367.db2.gz UWFACWOLJJESNP-HSZRJFAPSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1ccc(C)c(OC[C@H](O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000025303977 1399794374 /nfs/dbraw/zinc/79/43/74/1399794374.db2.gz UWFACWOLJJESNP-HSZRJFAPSA-N 1 1 393.531 3.123 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(OC)c1 ZINC000025368894 1399803352 /nfs/dbraw/zinc/80/33/52/1399803352.db2.gz HDIASFNYMPLHKK-SFHVURJKSA-N 1 1 385.460 3.024 20 30 GGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025421546 1399807957 /nfs/dbraw/zinc/80/79/57/1399807957.db2.gz VSGPSWGOHVUZTO-KQVJYAISSA-N 1 1 382.552 3.124 20 30 GGEDMO C=CCOc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000025637990 1399824821 /nfs/dbraw/zinc/82/48/21/1399824821.db2.gz ORTGNDMYRDEYSC-KRWDZBQOSA-N 1 1 380.488 3.437 20 30 GGEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000025698756 1399830633 /nfs/dbraw/zinc/83/06/33/1399830633.db2.gz KVCVZQOVJUQKSA-IFMALSPDSA-N 1 1 399.922 3.100 20 30 GGEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867252 1399842594 /nfs/dbraw/zinc/84/25/94/1399842594.db2.gz VBBGCSMLFDCXAB-QGZVFWFLSA-N 1 1 376.403 3.226 20 30 GGEDMO C=CCc1ccc(OCC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000025940647 1399848196 /nfs/dbraw/zinc/84/81/96/1399848196.db2.gz NCCCBBSWQQWCIC-SFHVURJKSA-N 1 1 394.515 3.366 20 30 GGEDMO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000026201507 1399868912 /nfs/dbraw/zinc/86/89/12/1399868912.db2.gz HRCRTVOMQQTGRG-UHFFFAOYSA-N 1 1 389.952 3.488 20 30 GGEDMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000026320597 1399878091 /nfs/dbraw/zinc/87/80/91/1399878091.db2.gz JOAXFOFBOQGTFG-ZDUSSCGKSA-N 1 1 385.851 3.457 20 30 GGEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000026320597 1399878093 /nfs/dbraw/zinc/87/80/93/1399878093.db2.gz JOAXFOFBOQGTFG-ZDUSSCGKSA-N 1 1 385.851 3.457 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026330964 1399879202 /nfs/dbraw/zinc/87/92/02/1399879202.db2.gz PZUQULWNUZTFFQ-MRXNPFEDSA-N 1 1 376.460 3.144 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026330964 1399879204 /nfs/dbraw/zinc/87/92/04/1399879204.db2.gz PZUQULWNUZTFFQ-MRXNPFEDSA-N 1 1 376.460 3.144 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1 ZINC000026355953 1399882160 /nfs/dbraw/zinc/88/21/60/1399882160.db2.gz XYYUVYVWJQMALM-UHFFFAOYSA-N 1 1 388.393 3.320 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1 ZINC000026355953 1399882162 /nfs/dbraw/zinc/88/21/62/1399882162.db2.gz XYYUVYVWJQMALM-UHFFFAOYSA-N 1 1 388.393 3.320 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000026480287 1399894261 /nfs/dbraw/zinc/89/42/61/1399894261.db2.gz WRDYWNIJNTWJDP-UHFFFAOYSA-N 1 1 382.508 3.392 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000026480287 1399894264 /nfs/dbraw/zinc/89/42/64/1399894264.db2.gz WRDYWNIJNTWJDP-UHFFFAOYSA-N 1 1 382.508 3.392 20 30 GGEDMO N#Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000027125188 1399987587 /nfs/dbraw/zinc/98/75/87/1399987587.db2.gz NWOVIXREPUIBMR-UHFFFAOYSA-N 1 1 382.508 3.001 20 30 GGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000027229112 1400008597 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3.234 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(c3ccccc3F)CC1)CCC2 ZINC000028843479 1400202639 /nfs/dbraw/zinc/20/26/39/1400202639.db2.gz ZUFQZNGLZOAYSP-UHFFFAOYSA-N 1 1 398.507 3.398 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000028843066 1400202687 /nfs/dbraw/zinc/20/26/87/1400202687.db2.gz JLZBASYWNBSKII-UHFFFAOYSA-N 1 1 382.895 3.358 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[NH+]2CCN(CCc3ccccc3)CC2)cc1Cl ZINC000028893464 1400208046 /nfs/dbraw/zinc/20/80/46/1400208046.db2.gz BNMFEVBKBABYND-UHFFFAOYSA-N 1 1 396.922 3.401 20 30 GGEDMO CCOc1ccc(C[NH+]2CCN(CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000028893020 1400208283 /nfs/dbraw/zinc/20/82/83/1400208283.db2.gz AHIGZUIKGVHWAT-UHFFFAOYSA-N 1 1 392.503 3.103 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000028902911 1400209331 /nfs/dbraw/zinc/20/93/31/1400209331.db2.gz CAEYOPUIVAMDET-UHFFFAOYSA-N 1 1 390.531 3.368 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000028960364 1400216702 /nfs/dbraw/zinc/21/67/02/1400216702.db2.gz ZLKSNQNRNUAJHO-UHFFFAOYSA-N 1 1 396.922 3.036 20 30 GGEDMO Cc1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000028960615 1400216794 /nfs/dbraw/zinc/21/67/94/1400216794.db2.gz QAJDJQBWAIMXES-UHFFFAOYSA-N 1 1 376.504 3.322 20 30 GGEDMO COc1ccc(Cl)cc1CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000028973440 1400218241 /nfs/dbraw/zinc/21/82/41/1400218241.db2.gz KSIVEKOYNCEELH-UHFFFAOYSA-N 1 1 385.895 3.417 20 30 GGEDMO N#Cc1ccccc1OCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000029096763 1400238720 /nfs/dbraw/zinc/23/87/20/1400238720.db2.gz TTWJTCOYQNITPR-UHFFFAOYSA-N 1 1 383.879 3.325 20 30 GGEDMO N#Cc1ccccc1OCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000029096763 1400238721 /nfs/dbraw/zinc/23/87/21/1400238721.db2.gz TTWJTCOYQNITPR-UHFFFAOYSA-N 1 1 383.879 3.325 20 30 GGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)/C=C/c3ccccc3C#N)CC2)cc1 ZINC000029826307 1400358797 /nfs/dbraw/zinc/35/87/97/1400358797.db2.gz CBYRNKMJFAGPBW-FMIVXFBMSA-N 1 1 375.472 3.315 20 30 GGEDMO Cc1cccc(C(=O)N2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000029851644 1400364031 /nfs/dbraw/zinc/36/40/31/1400364031.db2.gz BSNDPMCKTNGWQV-UHFFFAOYSA-N 1 1 390.487 3.043 20 30 GGEDMO Cc1cccc(C(=O)N2CCC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000029851652 1400364257 /nfs/dbraw/zinc/36/42/57/1400364257.db2.gz XSDLHWCVGUOOPN-UHFFFAOYSA-N 1 1 390.487 3.043 20 30 GGEDMO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000029928062 1400380799 /nfs/dbraw/zinc/38/07/99/1400380799.db2.gz JPINCEGZGATUHF-CQSZACIVSA-N 1 1 390.915 3.167 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000029983614 1400391659 /nfs/dbraw/zinc/39/16/59/1400391659.db2.gz BFYRSIOVHWKRBB-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000029983614 1400391661 /nfs/dbraw/zinc/39/16/61/1400391661.db2.gz BFYRSIOVHWKRBB-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO Cc1ccnn1-c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029984906 1400391769 /nfs/dbraw/zinc/39/17/69/1400391769.db2.gz RXYWEXSFFFATIV-UHFFFAOYSA-N 1 1 399.498 3.401 20 30 GGEDMO Cc1ccnn1-c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029984906 1400391774 /nfs/dbraw/zinc/39/17/74/1400391774.db2.gz RXYWEXSFFFATIV-UHFFFAOYSA-N 1 1 399.498 3.401 20 30 GGEDMO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000029984152 1400392099 /nfs/dbraw/zinc/39/20/99/1400392099.db2.gz DZQLJTBCBCUVLT-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000029984152 1400392109 /nfs/dbraw/zinc/39/21/09/1400392109.db2.gz DZQLJTBCBCUVLT-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO CC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000042742208 1400406809 /nfs/dbraw/zinc/40/68/09/1400406809.db2.gz HHGAMOLIFSHZJS-MRXNPFEDSA-N 1 1 378.476 3.282 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000042742208 1400406814 /nfs/dbraw/zinc/40/68/14/1400406814.db2.gz HHGAMOLIFSHZJS-MRXNPFEDSA-N 1 1 378.476 3.282 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCC(=O)Nc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000055870011 1407110508 /nfs/dbraw/zinc/11/05/08/1407110508.db2.gz KZPWYKRLHXRPCC-HDICACEKSA-N 1 1 392.503 3.412 20 30 GGEDMO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000055996704 1407165460 /nfs/dbraw/zinc/16/54/60/1407165460.db2.gz CGQHTOKSWHOLGC-FGZHOGPDSA-N 1 1 375.472 3.494 20 30 GGEDMO CCc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1C(C)(C)C ZINC000056291462 1407282491 /nfs/dbraw/zinc/28/24/91/1407282491.db2.gz UKFXIOQRMYIENP-UHFFFAOYSA-N 1 1 393.535 3.420 20 30 GGEDMO CCc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1C(C)(C)C ZINC000056291462 1407282495 /nfs/dbraw/zinc/28/24/95/1407282495.db2.gz UKFXIOQRMYIENP-UHFFFAOYSA-N 1 1 393.535 3.420 20 30 GGEDMO O=C(NCC#Cc1ccccc1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056453822 1407336357 /nfs/dbraw/zinc/33/63/57/1407336357.db2.gz GAHCDIIFSSMIBA-UHFFFAOYSA-N 1 1 383.442 3.280 20 30 GGEDMO N#Cc1ccnc(N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)c1 ZINC000056494031 1407348075 /nfs/dbraw/zinc/34/80/75/1407348075.db2.gz VRDDQBKVVOOQSH-UHFFFAOYSA-N 1 1 376.382 3.217 20 30 GGEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OC(F)F ZINC000042978975 1403680745 /nfs/dbraw/zinc/68/07/45/1403680745.db2.gz UVGKIQLUDPZWAM-YJYMSZOUSA-N 1 1 383.439 3.171 20 30 GGEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OC(F)F ZINC000042978975 1403680746 /nfs/dbraw/zinc/68/07/46/1403680746.db2.gz UVGKIQLUDPZWAM-YJYMSZOUSA-N 1 1 383.439 3.171 20 30 GGEDMO CN1CC[N@@H+](CCCNC(=O)Nc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000043329541 1403748348 /nfs/dbraw/zinc/74/83/48/1403748348.db2.gz BYFKESIRMGLZCP-NRFANRHFSA-N 1 1 377.492 3.059 20 30 GGEDMO C[N@@H+]1CCN(CCCNC(=O)Nc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000043329541 1403748354 /nfs/dbraw/zinc/74/83/54/1403748354.db2.gz BYFKESIRMGLZCP-NRFANRHFSA-N 1 1 377.492 3.059 20 30 GGEDMO C[N@H+]1CCN(CCCNC(=O)Nc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000043329541 1403748361 /nfs/dbraw/zinc/74/83/61/1403748361.db2.gz BYFKESIRMGLZCP-NRFANRHFSA-N 1 1 377.492 3.059 20 30 GGEDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000043330801 1403748433 /nfs/dbraw/zinc/74/84/33/1403748433.db2.gz MEKSIJGZMDTINI-UHFFFAOYSA-N 1 1 394.475 3.315 20 30 GGEDMO CC(C)Cc1nnc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000043374291 1403753916 /nfs/dbraw/zinc/75/39/16/1403753916.db2.gz RWUHKEBFSQMJOX-UHFFFAOYSA-N 1 1 398.536 3.348 20 30 GGEDMO CC(C)Cc1nnc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000043374291 1403753922 /nfs/dbraw/zinc/75/39/22/1403753922.db2.gz RWUHKEBFSQMJOX-UHFFFAOYSA-N 1 1 398.536 3.348 20 30 GGEDMO CCOc1ccc(C#N)cc1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000056550083 1407358141 /nfs/dbraw/zinc/35/81/41/1407358141.db2.gz BAUSLYFGSXDWKH-UHFFFAOYSA-N 1 1 386.496 3.114 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2cccc(CC#N)c2)C[C@H](C)O1 ZINC000044638295 1403971506 /nfs/dbraw/zinc/97/15/06/1403971506.db2.gz SHCLHUOIZBEQGS-HDICACEKSA-N 1 1 377.488 3.292 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2cccc(CC#N)c2)C[C@H](C)O1 ZINC000044638295 1403971514 /nfs/dbraw/zinc/97/15/14/1403971514.db2.gz SHCLHUOIZBEQGS-HDICACEKSA-N 1 1 377.488 3.292 20 30 GGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000045004543 1404035494 /nfs/dbraw/zinc/03/54/94/1404035494.db2.gz PNLZIWTZLGGXFU-ICSRJNTNSA-N 1 1 382.460 3.152 20 30 GGEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COc2cccc(C#N)c2)C1 ZINC000045077540 1404049540 /nfs/dbraw/zinc/04/95/40/1404049540.db2.gz RIXBEDLZASJJSH-SFHVURJKSA-N 1 1 377.488 3.485 20 30 GGEDMO CO[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000045578736 1404151380 /nfs/dbraw/zinc/15/13/80/1404151380.db2.gz JWEMGIBWRYGUDF-JOCHJYFZSA-N 1 1 392.503 3.163 20 30 GGEDMO CO[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000045578734 1404151504 /nfs/dbraw/zinc/15/15/04/1404151504.db2.gz JWEMGIBWRYGUDF-QFIPXVFZSA-N 1 1 392.503 3.163 20 30 GGEDMO C=CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000045782435 1404202928 /nfs/dbraw/zinc/20/29/28/1404202928.db2.gz VMDSNQIDTBPBOU-UHFFFAOYSA-N 1 1 392.547 3.332 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000045782829 1404203697 /nfs/dbraw/zinc/20/36/97/1404203697.db2.gz RYZXPJGCZJNDKN-UHFFFAOYSA-N 1 1 398.576 3.393 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc(OCC#N)c3)cc2)C[C@H](C)O1 ZINC000046063871 1404287303 /nfs/dbraw/zinc/28/73/03/1404287303.db2.gz HCLPQMJFFBHTQU-CALCHBBNSA-N 1 1 379.460 3.450 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc(OCC#N)c3)cc2)C[C@H](C)O1 ZINC000046063871 1404287307 /nfs/dbraw/zinc/28/73/07/1404287307.db2.gz HCLPQMJFFBHTQU-CALCHBBNSA-N 1 1 379.460 3.450 20 30 GGEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000046087366 1404292657 /nfs/dbraw/zinc/29/26/57/1404292657.db2.gz DMNBBZSKCUFSAX-QGZVFWFLSA-N 1 1 399.535 3.180 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000046087069 1404293215 /nfs/dbraw/zinc/29/32/15/1404293215.db2.gz OOWFXZHQKDMWLA-UHFFFAOYSA-N 1 1 382.895 3.040 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000046087069 1404293221 /nfs/dbraw/zinc/29/32/21/1404293221.db2.gz OOWFXZHQKDMWLA-UHFFFAOYSA-N 1 1 382.895 3.040 20 30 GGEDMO C[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)[N@H+]1CCCC[C@H]1C ZINC000046338807 1404370052 /nfs/dbraw/zinc/37/00/52/1404370052.db2.gz WRMFJGQELAXQLZ-MOPGFXCFSA-N 1 1 383.540 3.043 20 30 GGEDMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518135 1404457395 /nfs/dbraw/zinc/45/73/95/1404457395.db2.gz GDMLYFVEGGXMJS-UHFFFAOYSA-N 1 1 381.476 3.056 20 30 GGEDMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518135 1404457406 /nfs/dbraw/zinc/45/74/06/1404457406.db2.gz GDMLYFVEGGXMJS-UHFFFAOYSA-N 1 1 381.476 3.056 20 30 GGEDMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000046518820 1404458731 /nfs/dbraw/zinc/45/87/31/1404458731.db2.gz ZKCDECACZPQHAD-MRXNPFEDSA-N 1 1 381.476 3.054 20 30 GGEDMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000046518820 1404458738 /nfs/dbraw/zinc/45/87/38/1404458738.db2.gz ZKCDECACZPQHAD-MRXNPFEDSA-N 1 1 381.476 3.054 20 30 GGEDMO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000046518540 1404458951 /nfs/dbraw/zinc/45/89/51/1404458951.db2.gz MNQZLUWSXQPOAO-QGZVFWFLSA-N 1 1 392.503 3.499 20 30 GGEDMO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000046518540 1404458956 /nfs/dbraw/zinc/45/89/56/1404458956.db2.gz MNQZLUWSXQPOAO-QGZVFWFLSA-N 1 1 392.503 3.499 20 30 GGEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518730 1404459055 /nfs/dbraw/zinc/45/90/55/1404459055.db2.gz MJSFVKQYVRUGAP-JKSUJKDBSA-N 1 1 379.460 3.027 20 30 GGEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518730 1404459063 /nfs/dbraw/zinc/45/90/63/1404459063.db2.gz MJSFVKQYVRUGAP-JKSUJKDBSA-N 1 1 379.460 3.027 20 30 GGEDMO C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000046527223 1404464339 /nfs/dbraw/zinc/46/43/39/1404464339.db2.gz MHQAXXCCTVCUHV-HXUWFJFHSA-N 1 1 391.471 3.125 20 30 GGEDMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000046527223 1404464345 /nfs/dbraw/zinc/46/43/45/1404464345.db2.gz MHQAXXCCTVCUHV-HXUWFJFHSA-N 1 1 391.471 3.125 20 30 GGEDMO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000046530173 1404465321 /nfs/dbraw/zinc/46/53/21/1404465321.db2.gz QNSXIMYZUPUZLD-CVEARBPZSA-N 1 1 379.460 3.027 20 30 GGEDMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000046530173 1404465328 /nfs/dbraw/zinc/46/53/28/1404465328.db2.gz QNSXIMYZUPUZLD-CVEARBPZSA-N 1 1 379.460 3.027 20 30 GGEDMO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000046530231 1404465671 /nfs/dbraw/zinc/46/56/71/1404465671.db2.gz NDYJSPPYIRENPE-INIZCTEOSA-N 1 1 381.476 3.054 20 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ZINC000046831549 1404606138 /nfs/dbraw/zinc/60/61/38/1404606138.db2.gz OZTHNBNNWIWIQK-SIKLNZKXSA-N 1 1 398.551 3.371 20 30 GGEDMO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000056742035 1407416600 /nfs/dbraw/zinc/41/66/00/1407416600.db2.gz XTUIYJBCBIZTQQ-UHFFFAOYSA-N 1 1 376.420 3.168 20 30 GGEDMO C=CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1OC ZINC000046933853 1404640197 /nfs/dbraw/zinc/64/01/97/1404640197.db2.gz UFQOKSSVAGJSAD-UHFFFAOYSA-N 1 1 395.503 3.260 20 30 GGEDMO COc1cc(/C=C/C(=O)NCCCC[N@H+]2CCCC[C@H]2C)ccc1OCC#N ZINC000046988576 1404662540 /nfs/dbraw/zinc/66/25/40/1404662540.db2.gz UTCFZAPWEFDRAO-SXAWMYDMSA-N 1 1 385.508 3.382 20 30 GGEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000047011577 1404674729 /nfs/dbraw/zinc/67/47/29/1404674729.db2.gz GHTRHHQQUOAAGK-UHFFFAOYSA-N 1 1 391.450 3.291 20 30 GGEDMO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC3)c2c1 ZINC000047257351 1404771396 /nfs/dbraw/zinc/77/13/96/1404771396.db2.gz SYUIXLLJTPSKKU-JOCHJYFZSA-N 1 1 380.492 3.320 20 30 GGEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC3)c2c1 ZINC000047257351 1404771399 /nfs/dbraw/zinc/77/13/99/1404771399.db2.gz SYUIXLLJTPSKKU-JOCHJYFZSA-N 1 1 380.492 3.320 20 30 GGEDMO CCN1CC[NH+](Cc2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])cc2)CC1 ZINC000047272519 1404780299 /nfs/dbraw/zinc/78/02/99/1404780299.db2.gz JLLWGXHYHCTUSL-UHFFFAOYSA-N 1 1 379.464 3.216 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cn4ccnc4)c3)CC2)cc1 ZINC000047297309 1404793828 /nfs/dbraw/zinc/79/38/28/1404793828.db2.gz NUQNPBTVSGEGFF-UHFFFAOYSA-N 1 1 399.498 3.151 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cn4ccnc4)c3)CC2)cc1 ZINC000047297309 1404793834 /nfs/dbraw/zinc/79/38/34/1404793834.db2.gz NUQNPBTVSGEGFF-UHFFFAOYSA-N 1 1 399.498 3.151 20 30 GGEDMO CO/N=C/c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000047455810 1404843125 /nfs/dbraw/zinc/84/31/25/1404843125.db2.gz NXUHHZBDICVDDA-XQNSMLJCSA-N 1 1 381.476 3.024 20 30 GGEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)Nc1ccccc1 ZINC000047593015 1404875796 /nfs/dbraw/zinc/87/57/96/1404875796.db2.gz NMTQISKMASNLAC-UHFFFAOYSA-N 1 1 382.489 3.008 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)Nc1ccccc1 ZINC000047593015 1404875797 /nfs/dbraw/zinc/87/57/97/1404875797.db2.gz NMTQISKMASNLAC-UHFFFAOYSA-N 1 1 382.489 3.008 20 30 GGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715443 1404900659 /nfs/dbraw/zinc/90/06/59/1404900659.db2.gz DRKYEOIPEBTVJZ-HNNXBMFYSA-N 1 1 399.441 3.385 20 30 GGEDMO CCC[N@@H+](CC(=O)NCc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000047739961 1404913826 /nfs/dbraw/zinc/91/38/26/1404913826.db2.gz CXJYXAPRCJQQRU-UHFFFAOYSA-N 1 1 381.476 3.104 20 30 GGEDMO O=C(Nc1nnc(-c2ccco2)s1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000047784431 1404943907 /nfs/dbraw/zinc/94/39/07/1404943907.db2.gz PTDOVNRNIVSOOR-UHFFFAOYSA-N 1 1 383.477 3.204 20 30 GGEDMO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047960257 1405010045 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393.487 3.241 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000048160411 1405079141 /nfs/dbraw/zinc/07/91/41/1405079141.db2.gz FOZUSZIJWAWSDB-FQEVSTJZSA-N 1 1 393.487 3.241 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)CCc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000048360582 1405163939 /nfs/dbraw/zinc/16/39/39/1405163939.db2.gz UUZDPFQVIQJVQW-RTBURBONSA-N 1 1 391.515 3.416 20 30 GGEDMO N#CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000048516418 1405213469 /nfs/dbraw/zinc/21/34/69/1405213469.db2.gz MTMUQZWCXCTFCB-UHFFFAOYSA-N 1 1 382.439 3.468 20 30 GGEDMO N#CCOc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000048516418 1405213473 /nfs/dbraw/zinc/21/34/73/1405213473.db2.gz MTMUQZWCXCTFCB-UHFFFAOYSA-N 1 1 382.439 3.468 20 30 GGEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000048907909 1405320442 /nfs/dbraw/zinc/32/04/42/1405320442.db2.gz KRYRPGGQUAKZGA-IBGZPJMESA-N 1 1 396.878 3.103 20 30 GGEDMO 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/nfs/dbraw/zinc/70/07/52/1405700752.db2.gz URYMUOOUSJWGNF-MRXNPFEDSA-N 1 1 375.538 3.141 20 30 GGEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051056745 1405714643 /nfs/dbraw/zinc/71/46/43/1405714643.db2.gz NWGFLNUOCVFNIH-GDBMZVCRSA-N 1 1 390.915 3.167 20 30 GGEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051056745 1405714649 /nfs/dbraw/zinc/71/46/49/1405714649.db2.gz NWGFLNUOCVFNIH-GDBMZVCRSA-N 1 1 390.915 3.167 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051056747 1405715140 /nfs/dbraw/zinc/71/51/40/1405715140.db2.gz NWGFLNUOCVFNIH-GOEBONIOSA-N 1 1 390.915 3.167 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051056747 1405715146 /nfs/dbraw/zinc/71/51/46/1405715146.db2.gz NWGFLNUOCVFNIH-GOEBONIOSA-N 1 1 390.915 3.167 20 30 GGEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051059673 1405717214 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YNTSXDHBJZLQGR-UHFFFAOYSA-N 1 1 390.531 3.033 20 30 GGEDMO C=CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)Cc1ccccc1 ZINC000051400835 1405804855 /nfs/dbraw/zinc/80/48/55/1405804855.db2.gz NFELQSBNSFVQFG-FQEVSTJZSA-N 1 1 397.563 3.172 20 30 GGEDMO C=CC[N@H+](CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)Cc1ccccc1 ZINC000051400835 1405804858 /nfs/dbraw/zinc/80/48/58/1405804858.db2.gz NFELQSBNSFVQFG-FQEVSTJZSA-N 1 1 397.563 3.172 20 30 GGEDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)Cc3cccc(C#N)c3)CC2)cc1 ZINC000051400951 1405804898 /nfs/dbraw/zinc/80/48/98/1405804898.db2.gz MOCVWLMMSZDGMB-UHFFFAOYSA-N 1 1 390.531 3.033 20 30 GGEDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)Cc2ccc(C#N)cc2)CC1 ZINC000051401113 1405805012 /nfs/dbraw/zinc/80/50/12/1405805012.db2.gz YDUXQLWNOOLKJO-UHFFFAOYSA-N 1 1 390.531 3.033 20 30 GGEDMO COc1ccc(N2CC[NH+](CCCNc3snc(Cl)c3C#N)CC2)cc1 ZINC000051451059 1405813511 /nfs/dbraw/zinc/81/35/11/1405813511.db2.gz ACQUVUBEKCGZPS-UHFFFAOYSA-N 1 1 391.928 3.301 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](Cc3cccs3)CC2)c1C ZINC000051592054 1405835872 /nfs/dbraw/zinc/83/58/72/1405835872.db2.gz VARXZICMLZOKMC-UHFFFAOYSA-N 1 1 396.560 3.429 20 30 GGEDMO CCC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000051688157 1405849584 /nfs/dbraw/zinc/84/95/84/1405849584.db2.gz CUBUUNJPGCESLC-PZJWPPBQSA-N 1 1 396.487 3.044 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1C ZINC000051903851 1405883707 /nfs/dbraw/zinc/88/37/07/1405883707.db2.gz WTGKCAPGVHKBMH-UHFFFAOYSA-N 1 1 398.551 3.129 20 30 GGEDMO C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052409069 1406044285 /nfs/dbraw/zinc/04/42/85/1406044285.db2.gz SCZXLGITMSZJBU-SIKLNZKXSA-N 1 1 382.552 3.103 20 30 GGEDMO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409069 1406044313 /nfs/dbraw/zinc/04/43/13/1406044313.db2.gz SCZXLGITMSZJBU-SIKLNZKXSA-N 1 1 382.552 3.103 20 30 GGEDMO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000052409069 1406044324 /nfs/dbraw/zinc/04/43/24/1406044324.db2.gz SCZXLGITMSZJBU-SIKLNZKXSA-N 1 1 382.552 3.103 20 30 GGEDMO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000052466057 1406060161 /nfs/dbraw/zinc/06/01/61/1406060161.db2.gz JFCPOHSQVYGGEX-QGZVFWFLSA-N 1 1 378.476 3.106 20 30 GGEDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000052466057 1406060167 /nfs/dbraw/zinc/06/01/67/1406060167.db2.gz JFCPOHSQVYGGEX-QGZVFWFLSA-N 1 1 378.476 3.106 20 30 GGEDMO Cc1ccc(C[N@H+]2CCCN(C(=O)CN(CCC#N)Cc3ccco3)CC2)cc1 ZINC000176294715 1428225498 /nfs/dbraw/zinc/22/54/98/1428225498.db2.gz JEARFQLAPJRLOQ-UHFFFAOYSA-N 1 1 394.519 3.038 20 30 GGEDMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000052580518 1406087953 /nfs/dbraw/zinc/08/79/53/1406087953.db2.gz DJDSIXMZAZRTJE-INIZCTEOSA-N 1 1 381.476 3.193 20 30 GGEDMO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000052580518 1406087964 /nfs/dbraw/zinc/08/79/64/1406087964.db2.gz 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C[N@@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000052580890 1406088655 /nfs/dbraw/zinc/08/86/55/1406088655.db2.gz NAAOPXUTELXKOC-UHFFFAOYSA-N 1 1 391.393 3.248 20 30 GGEDMO C[N@H+](CC(=O)NCCOc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000052580943 1406089231 /nfs/dbraw/zinc/08/92/31/1406089231.db2.gz HMUAOUYNRIOKTO-UHFFFAOYSA-N 1 1 391.393 3.204 20 30 GGEDMO C[N@@H+](CC(=O)NCCOc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000052580943 1406089241 /nfs/dbraw/zinc/08/92/41/1406089241.db2.gz HMUAOUYNRIOKTO-UHFFFAOYSA-N 1 1 391.393 3.204 20 30 GGEDMO COc1cc(C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)ccc1OC(F)F ZINC000052685757 1406120887 /nfs/dbraw/zinc/12/08/87/1406120887.db2.gz LZMVJUQOAJQJGZ-HXUWFJFHSA-N 1 1 395.450 3.315 20 30 GGEDMO COc1cc(C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CC2)ccc1OC(F)F ZINC000052685757 1406120894 /nfs/dbraw/zinc/12/08/94/1406120894.db2.gz LZMVJUQOAJQJGZ-HXUWFJFHSA-N 1 1 395.450 3.315 20 30 GGEDMO CCCCCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000052721564 1406138550 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396.922 3.429 20 30 GGEDMO CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052801195 1406175009 /nfs/dbraw/zinc/17/50/09/1406175009.db2.gz CTNWYZZSQPRLAP-SFHVURJKSA-N 1 1 392.503 3.496 20 30 GGEDMO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052801195 1406175031 /nfs/dbraw/zinc/17/50/31/1406175031.db2.gz CTNWYZZSQPRLAP-SFHVURJKSA-N 1 1 392.503 3.496 20 30 GGEDMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801039 1406175072 /nfs/dbraw/zinc/17/50/72/1406175072.db2.gz YWQLBXKSTXNZJQ-QGZVFWFLSA-N 1 1 378.476 3.106 20 30 GGEDMO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801039 1406175091 /nfs/dbraw/zinc/17/50/91/1406175091.db2.gz YWQLBXKSTXNZJQ-QGZVFWFLSA-N 1 1 378.476 3.106 20 30 GGEDMO CCC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)cc1 ZINC000052825651 1406186008 /nfs/dbraw/zinc/18/60/08/1406186008.db2.gz ORWOSSKGQISKSV-UHFFFAOYSA-N 1 1 378.476 3.111 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)cc1 ZINC000052825651 1406186024 /nfs/dbraw/zinc/18/60/24/1406186024.db2.gz ORWOSSKGQISKSV-UHFFFAOYSA-N 1 1 378.476 3.111 20 30 GGEDMO CCC[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccc(C#N)cc1 ZINC000052826097 1406188697 /nfs/dbraw/zinc/18/86/97/1406188697.db2.gz SPOAGYPATGXPNZ-UHFFFAOYSA-N 1 1 396.560 3.176 20 30 GGEDMO C#CC[N@@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)[C@H]1CCc2ccccc21 ZINC000052846434 1406197609 /nfs/dbraw/zinc/19/76/09/1406197609.db2.gz SZMQXFWZBOXQLV-NRFANRHFSA-N 1 1 391.471 3.104 20 30 GGEDMO C#CC[N@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)[C@H]1CCc2ccccc21 ZINC000052846434 1406197619 /nfs/dbraw/zinc/19/76/19/1406197619.db2.gz SZMQXFWZBOXQLV-NRFANRHFSA-N 1 1 391.471 3.104 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000056761595 1407422820 /nfs/dbraw/zinc/42/28/20/1407422820.db2.gz BMMQPIYNCIIMQO-KRWDZBQOSA-N 1 1 378.476 3.316 20 30 GGEDMO CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056762005 1407423503 /nfs/dbraw/zinc/42/35/03/1407423503.db2.gz UQONRIRNWJIABB-UHFFFAOYSA-N 1 1 378.476 3.097 20 30 GGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056828029 1407446306 /nfs/dbraw/zinc/44/63/06/1407446306.db2.gz IQZMITUWOQEXPY-HDICACEKSA-N 1 1 389.540 3.281 20 30 GGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000056828029 1407446316 /nfs/dbraw/zinc/44/63/16/1407446316.db2.gz IQZMITUWOQEXPY-HDICACEKSA-N 1 1 389.540 3.281 20 30 GGEDMO C=CCN(Cc1ccccc1F)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000056827993 1407446375 /nfs/dbraw/zinc/44/63/75/1407446375.db2.gz PIZXXEPUMLGOOK-IRXDYDNUSA-N 1 1 377.504 3.411 20 30 GGEDMO CC[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1c(F)cccc1F ZINC000057450072 1407623250 /nfs/dbraw/zinc/62/32/50/1407623250.db2.gz SJHWKJYJMKIVGM-UHFFFAOYSA-N 1 1 392.431 3.187 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1c(F)cccc1F ZINC000057450072 1407623255 /nfs/dbraw/zinc/62/32/55/1407623255.db2.gz SJHWKJYJMKIVGM-UHFFFAOYSA-N 1 1 392.431 3.187 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000057612612 1407665304 /nfs/dbraw/zinc/66/53/04/1407665304.db2.gz DPFNVNCYJGUJJX-UHFFFAOYSA-N 1 1 386.540 3.371 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000057613211 1407667104 /nfs/dbraw/zinc/66/71/04/1407667104.db2.gz VLGZARVYFJOBFH-IBGZPJMESA-N 1 1 386.540 3.371 20 30 GGEDMO C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000057843736 1407736304 /nfs/dbraw/zinc/73/63/04/1407736304.db2.gz QLAOGHUUAYVPNY-UHFFFAOYSA-N 1 1 382.533 3.402 20 30 GGEDMO NC(CCCc1ccccc1)=[NH+]OCC(=O)Nc1ccccc1N1CCCC1=O ZINC000057858356 1407740725 /nfs/dbraw/zinc/74/07/25/1407740725.db2.gz OJZWEAINUUOCKS-UHFFFAOYSA-N 1 1 394.475 3.064 20 30 GGEDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000176347798 1428261257 /nfs/dbraw/zinc/26/12/57/1428261257.db2.gz HFJAKGQDUVNHBK-FQEVSTJZSA-N 1 1 394.519 3.322 20 30 GGEDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000176347798 1428261271 /nfs/dbraw/zinc/26/12/71/1428261271.db2.gz HFJAKGQDUVNHBK-FQEVSTJZSA-N 1 1 394.519 3.322 20 30 GGEDMO C=C(C)COc1cc(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)ccc1OC ZINC000057961612 1407762652 /nfs/dbraw/zinc/76/26/52/1407762652.db2.gz ZFGPDPMIRWNVHO-FQEVSTJZSA-N 1 1 375.557 3.012 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058076060 1407780341 /nfs/dbraw/zinc/78/03/41/1407780341.db2.gz HZXBUIWBQVNCOB-KRWDZBQOSA-N 1 1 382.508 3.068 20 30 GGEDMO C=CCn1c2nnc(SCC[C@H]3CCCC[N@@H+]3C)n2c2ccccc2c1=O ZINC000058125904 1407788265 /nfs/dbraw/zinc/78/82/65/1407788265.db2.gz JNOXBRKSCADNMH-OAHLLOKOSA-N 1 1 383.521 3.197 20 30 GGEDMO CCOC(=O)CN(C(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000058397141 1407822110 /nfs/dbraw/zinc/82/21/10/1407822110.db2.gz CKTYQKWCWRSFBN-UHFFFAOYSA-N 1 1 393.487 3.365 20 30 GGEDMO CCOC(=O)CN(C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000058397141 1407822114 /nfs/dbraw/zinc/82/21/14/1407822114.db2.gz CKTYQKWCWRSFBN-UHFFFAOYSA-N 1 1 393.487 3.365 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000058452292 1407831039 /nfs/dbraw/zinc/83/10/39/1407831039.db2.gz VMGKQJKCTVMVOG-SFHVURJKSA-N 1 1 377.492 3.199 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000058452821 1407831242 /nfs/dbraw/zinc/83/12/42/1407831242.db2.gz CTOJWGZMHYQBHU-QFIPXVFZSA-N 1 1 391.519 3.367 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000058452821 1407831246 /nfs/dbraw/zinc/83/12/46/1407831246.db2.gz CTOJWGZMHYQBHU-QFIPXVFZSA-N 1 1 391.519 3.367 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000058452821 1407831250 /nfs/dbraw/zinc/83/12/50/1407831250.db2.gz CTOJWGZMHYQBHU-QFIPXVFZSA-N 1 1 391.519 3.367 20 30 GGEDMO COc1cc(C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)ccc1SC ZINC000058528326 1407840797 /nfs/dbraw/zinc/84/07/97/1407840797.db2.gz ZMEFGHDQWYJCRB-SFHVURJKSA-N 1 1 386.517 3.355 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000058580317 1407847394 /nfs/dbraw/zinc/84/73/94/1407847394.db2.gz SUHCBLIWGYBYIE-UHFFFAOYSA-N 1 1 396.922 3.083 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000058580317 1407847396 /nfs/dbraw/zinc/84/73/96/1407847396.db2.gz SUHCBLIWGYBYIE-UHFFFAOYSA-N 1 1 396.922 3.083 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000058820493 1407885939 /nfs/dbraw/zinc/88/59/39/1407885939.db2.gz XLRJGKCQOOCPCQ-HXUWFJFHSA-N 1 1 377.488 3.453 20 30 GGEDMO CCN(CCC#N)Cn1nc([C@@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000060159883 1407944367 /nfs/dbraw/zinc/94/43/67/1407944367.db2.gz PLIZOXFFAQOOJR-CQSZACIVSA-N 1 1 376.505 3.358 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000176371577 1428278714 /nfs/dbraw/zinc/27/87/14/1428278714.db2.gz CNISMGOWTDXFDJ-AWEZNQCLSA-N 1 1 378.867 3.261 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(Cl)cc2cccnc21 ZINC000176371577 1428278730 /nfs/dbraw/zinc/27/87/30/1428278730.db2.gz CNISMGOWTDXFDJ-AWEZNQCLSA-N 1 1 378.867 3.261 20 30 GGEDMO COc1ccc(CC(=[NH2+])NOC=C(O)c2cc(C)n(CC(F)(F)F)c2C)cc1 ZINC000060454933 1407980947 /nfs/dbraw/zinc/98/09/47/1407980947.db2.gz XHWHMPUUJTULTR-UHFFFAOYSA-N 1 1 397.397 3.390 20 30 GGEDMO CC[N@@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469376 1407984589 /nfs/dbraw/zinc/98/45/89/1407984589.db2.gz COBGHOVZDUZKCQ-MRXNPFEDSA-N 1 1 394.475 3.436 20 30 GGEDMO Cn1cc(-c2nc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)cs2)cn1 ZINC000060468828 1407984927 /nfs/dbraw/zinc/98/49/27/1407984927.db2.gz WXWQDDWWCJQWHG-UHFFFAOYSA-N 1 1 378.505 3.128 20 30 GGEDMO Cn1cc(-c2nc(C[N@H+]3CCCN(c4ccccc4C#N)CC3)cs2)cn1 ZINC000060468828 1407984935 /nfs/dbraw/zinc/98/49/35/1407984935.db2.gz WXWQDDWWCJQWHG-UHFFFAOYSA-N 1 1 378.505 3.128 20 30 GGEDMO CC[N@@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477312 1407986393 /nfs/dbraw/zinc/98/63/93/1407986393.db2.gz YMHKEMPAAAWYTI-HXUWFJFHSA-N 1 1 390.531 3.286 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)nc1 ZINC000060526889 1407996554 /nfs/dbraw/zinc/99/65/54/1407996554.db2.gz QRSMGMFBXACIAN-UHFFFAOYSA-N 1 1 385.471 3.249 20 30 GGEDMO N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000176376767 1428283755 /nfs/dbraw/zinc/28/37/55/1428283755.db2.gz VQIQMHYLMHDDGA-LJQANCHMSA-N 1 1 380.467 3.061 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1)CC(F)(F)F ZINC000176413225 1428309702 /nfs/dbraw/zinc/30/97/02/1428309702.db2.gz KMSFKKXIEAKPAQ-OAHLLOKOSA-N 1 1 382.430 3.093 20 30 GGEDMO Cc1ccc(C)c(C(=O)C(C(=S)NC2CCN(C)CC2)[n+]2ccccc2)c1 ZINC000063441561 1408354786 /nfs/dbraw/zinc/35/47/86/1408354786.db2.gz ZJHYGPHRWRIVRH-UHFFFAOYSA-O 1 1 382.553 3.214 20 30 GGEDMO CCc1ccc(C(=O)C(C(=S)NC2CCN(C)CC2)[n+]2ccccc2)cc1 ZINC000063441520 1408354948 /nfs/dbraw/zinc/35/49/48/1408354948.db2.gz OULJFPFZZYJVTI-UHFFFAOYSA-O 1 1 382.553 3.159 20 30 GGEDMO 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N#CCOc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000069661905 1409672138 /nfs/dbraw/zinc/67/21/38/1409672138.db2.gz GZTWKZPPSUDPBT-UHFFFAOYSA-N 1 1 396.516 3.459 20 30 GGEDMO C=CC[N@H+](CC(=O)N1CCC(C(=O)NCCC(C)C)CC1)CC1CCCCC1 ZINC000069860082 1409715851 /nfs/dbraw/zinc/71/58/51/1409715851.db2.gz HQCZEDCEIRSNIB-UHFFFAOYSA-N 1 1 391.600 3.456 20 30 GGEDMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCc3ccc(C#N)cc3)c2C1 ZINC000069924699 1409725593 /nfs/dbraw/zinc/72/55/93/1409725593.db2.gz XRKGSOJNZYAUHJ-MRXNPFEDSA-N 1 1 390.487 3.173 20 30 GGEDMO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCN(c2sccc2C#N)C1=O ZINC000176712019 1428426965 /nfs/dbraw/zinc/42/69/65/1428426965.db2.gz ZOYVZOXUADBQLZ-IBGZPJMESA-N 1 1 382.533 3.357 20 30 GGEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)C2CCCCC2)sc2c1CCCC2 ZINC000070824124 1409784165 /nfs/dbraw/zinc/78/41/65/1409784165.db2.gz LMEXHLTVXMRZLW-UHFFFAOYSA-N 1 1 375.538 3.454 20 30 GGEDMO N#Cc1ccc(OCCC[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000071951250 1409832752 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ZINC000102955811 1410812183 /nfs/dbraw/zinc/81/21/83/1410812183.db2.gz PKALVRVWQPBLEM-HNNXBMFYSA-N 1 1 382.439 3.240 20 30 GGEDMO CN(CC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1)C(=O)OC(C)(C)C ZINC000103494963 1410863830 /nfs/dbraw/zinc/86/38/30/1410863830.db2.gz SNKNGJSVLZOKQK-UHFFFAOYSA-N 1 1 386.496 3.076 20 30 GGEDMO C[C@@H](O)C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000104683965 1410928998 /nfs/dbraw/zinc/92/89/98/1410928998.db2.gz NXGBUPGILQYNOR-MRXNPFEDSA-N 1 1 396.453 3.189 20 30 GGEDMO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104712537 1410935334 /nfs/dbraw/zinc/93/53/34/1410935334.db2.gz LUBMVEMNTBKBTE-AVRDEDQJSA-N 1 1 399.535 3.113 20 30 GGEDMO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104712542 1410936517 /nfs/dbraw/zinc/93/65/17/1410936517.db2.gz LUBMVEMNTBKBTE-XMSQKQJNSA-N 1 1 399.535 3.113 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Oc4cccc(C#N)c4)CC3)C2=O)cc1 ZINC000104713657 1410937443 /nfs/dbraw/zinc/93/74/43/1410937443.db2.gz FLMMERBVRBJWMD-QFIPXVFZSA-N 1 1 386.455 3.079 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)N3CCc4sccc4C3)CC2)c1 ZINC000104713412 1410938016 /nfs/dbraw/zinc/93/80/16/1410938016.db2.gz BPYWGUVYAJCRQW-UHFFFAOYSA-N 1 1 381.501 3.048 20 30 GGEDMO Cc1ccccc1CCNC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714542 1410938228 /nfs/dbraw/zinc/93/82/28/1410938228.db2.gz BELFFMZMBLAJEG-UHFFFAOYSA-N 1 1 377.488 3.069 20 30 GGEDMO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713254 1410938365 /nfs/dbraw/zinc/93/83/65/1410938365.db2.gz WPNCPJDNHMSGSB-SFHVURJKSA-N 1 1 377.488 3.415 20 30 GGEDMO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713250 1410939190 /nfs/dbraw/zinc/93/91/90/1410939190.db2.gz WPNCPJDNHMSGSB-GOSISDBHSA-N 1 1 377.488 3.415 20 30 GGEDMO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715443 1410940012 /nfs/dbraw/zinc/94/00/12/1410940012.db2.gz LNFJVJHHZAJKNX-KRWDZBQOSA-N 1 1 375.472 3.379 20 30 GGEDMO CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104963078 1411004313 /nfs/dbraw/zinc/00/43/13/1411004313.db2.gz FRQFITWNQJBAET-HXUWFJFHSA-N 1 1 394.471 3.044 20 30 GGEDMO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963058 1411004639 /nfs/dbraw/zinc/00/46/39/1411004639.db2.gz AWGTZIJBEGFUHA-INIZCTEOSA-N 1 1 392.459 3.138 20 30 GGEDMO C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000105126881 1411032586 /nfs/dbraw/zinc/03/25/86/1411032586.db2.gz OKYGSGQDQQLMTD-ROUUACIJSA-N 1 1 384.524 3.231 20 30 GGEDMO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000105427668 1411066067 /nfs/dbraw/zinc/06/60/67/1411066067.db2.gz IBYRREHKKMLPAL-QGZVFWFLSA-N 1 1 387.487 3.064 20 30 GGEDMO C=CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCN(CC)CC2)cc1 ZINC000106194491 1411180000 /nfs/dbraw/zinc/18/00/00/1411180000.db2.gz QTECOLYEISPXQW-UHFFFAOYSA-N 1 1 393.531 3.319 20 30 GGEDMO CO[C@@](C)(C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000106733905 1411289242 /nfs/dbraw/zinc/28/92/42/1411289242.db2.gz OLUCAYXIZXWZER-HSZRJFAPSA-N 1 1 377.488 3.154 20 30 GGEDMO CO[C@@](C)(C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000106733905 1411289250 /nfs/dbraw/zinc/28/92/50/1411289250.db2.gz OLUCAYXIZXWZER-HSZRJFAPSA-N 1 1 377.488 3.154 20 30 GGEDMO COCC[N@@H+](C)CCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106741547 1411291344 /nfs/dbraw/zinc/29/13/44/1411291344.db2.gz XGVWMWOGOQPZAF-UHFFFAOYSA-N 1 1 385.439 3.188 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000106763231 1411295932 /nfs/dbraw/zinc/29/59/32/1411295932.db2.gz QLKYKWHZXHTQNF-UHFFFAOYSA-N 1 1 377.419 3.271 20 30 GGEDMO N#Cc1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)o2)cc1 ZINC000106787739 1411301665 /nfs/dbraw/zinc/30/16/65/1411301665.db2.gz MHDZVZHFKHLKJH-KRWDZBQOSA-N 1 1 379.460 3.477 20 30 GGEDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106865581 1411311301 /nfs/dbraw/zinc/31/13/01/1411311301.db2.gz ZXMZRIGRAGWFTJ-YOEHRIQHSA-N 1 1 375.538 3.453 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)O)c1C#N ZINC000106865903 1411311699 /nfs/dbraw/zinc/31/16/99/1411311699.db2.gz DOMMRPQQCKZDGI-NQIIRXRSSA-N 1 1 394.519 3.199 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)O)c1C#N ZINC000106865903 1411311702 /nfs/dbraw/zinc/31/17/02/1411311702.db2.gz DOMMRPQQCKZDGI-NQIIRXRSSA-N 1 1 394.519 3.199 20 30 GGEDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000106869477 1411313566 /nfs/dbraw/zinc/31/35/66/1411313566.db2.gz OWFHHTKDZHHHCI-HNNXBMFYSA-N 1 1 392.887 3.139 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCOC2)c1C#N ZINC000107692821 1411398539 /nfs/dbraw/zinc/39/85/39/1411398539.db2.gz SHWVNMVPUXBRFT-FQEVSTJZSA-N 1 1 394.519 3.322 20 30 GGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000177048644 1428567928 /nfs/dbraw/zinc/56/79/28/1428567928.db2.gz VASJVLKUENQRCW-JTSKRJEESA-N 1 1 393.487 3.160 20 30 GGEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000108298456 1411468217 /nfs/dbraw/zinc/46/82/17/1411468217.db2.gz YZQAHZZNULUIDB-HXUWFJFHSA-N 1 1 391.519 3.295 20 30 GGEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1C ZINC000108298458 1411468312 /nfs/dbraw/zinc/46/83/12/1411468312.db2.gz YZQAHZZNULUIDB-FQEVSTJZSA-N 1 1 391.519 3.295 20 30 GGEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NC1(C#N)CCCCC1 ZINC000108363180 1411481677 /nfs/dbraw/zinc/48/16/77/1411481677.db2.gz HLYCOJYYWIZPBB-UHFFFAOYSA-N 1 1 397.498 3.423 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC([C@H](O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000108386687 1411485713 /nfs/dbraw/zinc/48/57/13/1411485713.db2.gz BLKVYKNGUBWBTF-FCHUYYIVSA-N 1 1 393.462 3.248 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108387293 1411485865 /nfs/dbraw/zinc/48/58/65/1411485865.db2.gz LHNHEOWRSOLHIM-VMRPVKRXSA-N 1 1 375.488 3.014 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108387290 1411486097 /nfs/dbraw/zinc/48/60/97/1411486097.db2.gz LHNHEOWRSOLHIM-QFIXIFRTSA-N 1 1 375.488 3.014 20 30 GGEDMO C#CCOc1cccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000108517097 1411525916 /nfs/dbraw/zinc/52/59/16/1411525916.db2.gz LPBWTDZMFLLHHQ-SFHVURJKSA-N 1 1 393.487 3.241 20 30 GGEDMO C#CCOc1cccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000108517097 1411525932 /nfs/dbraw/zinc/52/59/32/1411525932.db2.gz LPBWTDZMFLLHHQ-SFHVURJKSA-N 1 1 393.487 3.241 20 30 GGEDMO C#CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000108518658 1411527815 /nfs/dbraw/zinc/52/78/15/1411527815.db2.gz WOLDCFFXSNWKPN-UHFFFAOYSA-N 1 1 388.471 3.310 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C[N@H+]1C1CC1 ZINC000177069957 1428577052 /nfs/dbraw/zinc/57/70/52/1428577052.db2.gz YZVWROGUSYPXJU-OXJNMPFZSA-N 1 1 375.472 3.492 20 30 GGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177087045 1428583218 /nfs/dbraw/zinc/58/32/18/1428583218.db2.gz PJJRBKDSLOOXBX-UHFFFAOYSA-N 1 1 395.470 3.009 20 30 GGEDMO N#CC1(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CCOCC1 ZINC000109140045 1411692054 /nfs/dbraw/zinc/69/20/54/1411692054.db2.gz NAQLSBSVUUOJAH-LJQANCHMSA-N 1 1 395.528 3.284 20 30 GGEDMO N#CC1(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CCOCC1 ZINC000109140045 1411692057 /nfs/dbraw/zinc/69/20/57/1411692057.db2.gz NAQLSBSVUUOJAH-LJQANCHMSA-N 1 1 395.528 3.284 20 30 GGEDMO N#CC1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCOCC1 ZINC000109143506 1411693449 /nfs/dbraw/zinc/69/34/49/1411693449.db2.gz HSONLLUHHVPXLH-UHFFFAOYSA-N 1 1 396.318 3.394 20 30 GGEDMO N#Cc1c(F)cccc1N1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000109260539 1411727363 /nfs/dbraw/zinc/72/73/63/1411727363.db2.gz BXNJDZGSMAQHAA-UHFFFAOYSA-N 1 1 383.423 3.017 20 30 GGEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NS(=O)(=O)CCCCC#N ZINC000109338871 1411743790 /nfs/dbraw/zinc/74/37/90/1411743790.db2.gz KYFOSWBMOYKTKZ-IBGZPJMESA-N 1 1 377.554 3.073 20 30 GGEDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000109679590 1411803125 /nfs/dbraw/zinc/80/31/25/1411803125.db2.gz HRSKWNLKSIXPKD-PKOBYXMFSA-N 1 1 384.524 3.294 20 30 GGEDMO CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000109679590 1411803126 /nfs/dbraw/zinc/80/31/26/1411803126.db2.gz HRSKWNLKSIXPKD-PKOBYXMFSA-N 1 1 384.524 3.294 20 30 GGEDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000109679593 1411803429 /nfs/dbraw/zinc/80/34/29/1411803429.db2.gz HRSKWNLKSIXPKD-HKUYNNGSSA-N 1 1 384.524 3.294 20 30 GGEDMO CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000109679593 1411803430 /nfs/dbraw/zinc/80/34/30/1411803430.db2.gz HRSKWNLKSIXPKD-HKUYNNGSSA-N 1 1 384.524 3.294 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109761671 1411808198 /nfs/dbraw/zinc/80/81/98/1411808198.db2.gz LUWSMVBBZYOXSS-IBGZPJMESA-N 1 1 379.460 3.274 20 30 GGEDMO COc1cccc(NC2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1 ZINC000110036235 1411826879 /nfs/dbraw/zinc/82/68/79/1411826879.db2.gz YBQZUNSFFFEIDX-UHFFFAOYSA-N 1 1 384.524 3.256 20 30 GGEDMO C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)c1 ZINC000110109538 1411831808 /nfs/dbraw/zinc/83/18/08/1411831808.db2.gz IIASCSKHGZPEJP-UHFFFAOYSA-N 1 1 391.515 3.291 20 30 GGEDMO C[C@H]1CCCN(c2cc(N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)ncn2)C1 ZINC000110124532 1411832644 /nfs/dbraw/zinc/83/26/44/1411832644.db2.gz LUYGXZWDHCUJKY-IBGZPJMESA-N 1 1 390.535 3.297 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCCOc2cccc(C#N)c2)cn1 ZINC000110640796 1411861828 /nfs/dbraw/zinc/86/18/28/1411861828.db2.gz DJTBQRBQIAMDQS-UHFFFAOYSA-N 1 1 389.459 3.313 20 30 GGEDMO N#CCOc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000110673681 1411863386 /nfs/dbraw/zinc/86/33/86/1411863386.db2.gz WRNCWWLEPAUUOM-SFHVURJKSA-N 1 1 383.517 3.221 20 30 GGEDMO C[C@@H](c1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1)[NH+]1CCOCC1 ZINC000110722602 1411866129 /nfs/dbraw/zinc/86/61/29/1411866129.db2.gz BQXMWZVCOIXLFH-KRWDZBQOSA-N 1 1 379.460 3.163 20 30 GGEDMO CCOC(=O)CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CC1 ZINC000110987593 1411881010 /nfs/dbraw/zinc/88/10/10/1411881010.db2.gz PBJYTVIHGPMNJI-UHFFFAOYSA-N 1 1 377.872 3.205 20 30 GGEDMO Cc1cc(C(=O)CON=C(N)C[N@H+]2CCCC[C@H]2C)c(C)n1CC(F)(F)F ZINC000111179321 1411893931 /nfs/dbraw/zinc/89/39/31/1411893931.db2.gz ZZCOHTGSFUKWEF-GFCCVEGCSA-N 1 1 388.434 3.013 20 30 GGEDMO Cc1cc(C(=O)CON=C(N)C[N@@H+]2CCCC[C@H]2C)c(C)n1CC(F)(F)F ZINC000111179321 1411893932 /nfs/dbraw/zinc/89/39/32/1411893932.db2.gz ZZCOHTGSFUKWEF-GFCCVEGCSA-N 1 1 388.434 3.013 20 30 GGEDMO C=CC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 ZINC000111256701 1411897945 /nfs/dbraw/zinc/89/79/45/1411897945.db2.gz DSKNMLIDMWLXJM-UHFFFAOYSA-N 1 1 379.386 3.123 20 30 GGEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000111289737 1411899647 /nfs/dbraw/zinc/89/96/47/1411899647.db2.gz BVRCCQZGDLUZPB-IYBDPMFKSA-N 1 1 386.496 3.217 20 30 GGEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000111289737 1411899648 /nfs/dbraw/zinc/89/96/48/1411899648.db2.gz BVRCCQZGDLUZPB-IYBDPMFKSA-N 1 1 386.496 3.217 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000111292319 1411901238 /nfs/dbraw/zinc/90/12/38/1411901238.db2.gz MGJNPMGGWHFRHI-UXHICEINSA-N 1 1 396.535 3.025 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000111292319 1411901252 /nfs/dbraw/zinc/90/12/52/1411901252.db2.gz MGJNPMGGWHFRHI-UXHICEINSA-N 1 1 396.535 3.025 20 30 GGEDMO C[NH+]1CCN(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 ZINC000111575748 1411995066 /nfs/dbraw/zinc/99/50/66/1411995066.db2.gz UNVJCNOCXQVBQX-UHFFFAOYSA-N 1 1 384.867 3.190 20 30 GGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000177174776 1428614311 /nfs/dbraw/zinc/61/43/11/1428614311.db2.gz GJFGAAAXZJUWIG-AVRDEDQJSA-N 1 1 377.488 3.369 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000111693411 1412012361 /nfs/dbraw/zinc/01/23/61/1412012361.db2.gz ZBKFZHFYQLODGK-QHCPKHFHSA-N 1 1 394.515 3.421 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000111799475 1412031085 /nfs/dbraw/zinc/03/10/85/1412031085.db2.gz KYGCMKPTWOMFQT-IBGZPJMESA-N 1 1 383.492 3.362 20 30 GGEDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000111911646 1412050180 /nfs/dbraw/zinc/05/01/80/1412050180.db2.gz IDFZHLLEYHKHKW-KRWDZBQOSA-N 1 1 392.503 3.063 20 30 GGEDMO C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000111911647 1412050718 /nfs/dbraw/zinc/05/07/18/1412050718.db2.gz IDFZHLLEYHKHKW-QGZVFWFLSA-N 1 1 392.503 3.063 20 30 GGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000111914400 1412052468 /nfs/dbraw/zinc/05/24/68/1412052468.db2.gz KMNQTCSVBDZVRG-CQSZACIVSA-N 1 1 390.915 3.167 20 30 GGEDMO CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000112088916 1412075335 /nfs/dbraw/zinc/07/53/35/1412075335.db2.gz FCJTYRCNEMWUIA-GOSISDBHSA-N 1 1 383.521 3.290 20 30 GGEDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000112088916 1412075344 /nfs/dbraw/zinc/07/53/44/1412075344.db2.gz FCJTYRCNEMWUIA-GOSISDBHSA-N 1 1 383.521 3.290 20 30 GGEDMO C=CC[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)CC1CCCCC1 ZINC000112202292 1412092854 /nfs/dbraw/zinc/09/28/54/1412092854.db2.gz MHMFVPWNFYCNSZ-UHFFFAOYSA-N 1 1 397.563 3.494 20 30 GGEDMO COCC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000112354327 1412134765 /nfs/dbraw/zinc/13/47/65/1412134765.db2.gz QOMWQMKVFWRZQK-UHFFFAOYSA-N 1 1 380.492 3.263 20 30 GGEDMO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000112512500 1412160704 /nfs/dbraw/zinc/16/07/04/1412160704.db2.gz PQILWXWNAAWZRE-GOSISDBHSA-N 1 1 392.503 3.020 20 30 GGEDMO COc1cccc([C@H](C)[NH+]2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000112542916 1412165822 /nfs/dbraw/zinc/16/58/22/1412165822.db2.gz LYLDLSNGAMDQHA-ROUUACIJSA-N 1 1 392.503 3.273 20 30 GGEDMO C=CCNC(=O)c1ccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)nc1 ZINC000112555036 1412168329 /nfs/dbraw/zinc/16/83/29/1412168329.db2.gz HMYKHIRHJOENCU-UHFFFAOYSA-N 1 1 378.520 3.142 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000112678024 1412190905 /nfs/dbraw/zinc/19/09/05/1412190905.db2.gz WWAFNQHCURYCNV-IAGOWNOFSA-N 1 1 390.553 3.297 20 30 GGEDMO CC1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000112701609 1412199633 /nfs/dbraw/zinc/19/96/33/1412199633.db2.gz SQXZVMUUCAMRQX-KRWDZBQOSA-N 1 1 398.551 3.478 20 30 GGEDMO CC1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000112701609 1412199636 /nfs/dbraw/zinc/19/96/36/1412199636.db2.gz SQXZVMUUCAMRQX-KRWDZBQOSA-N 1 1 398.551 3.478 20 30 GGEDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000112987408 1412251140 /nfs/dbraw/zinc/25/11/40/1412251140.db2.gz LMAOVLSLLVAIRN-KRWDZBQOSA-N 1 1 398.482 3.402 20 30 GGEDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000112987408 1412251146 /nfs/dbraw/zinc/25/11/46/1412251146.db2.gz LMAOVLSLLVAIRN-KRWDZBQOSA-N 1 1 398.482 3.402 20 30 GGEDMO COC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000112989527 1412251891 /nfs/dbraw/zinc/25/18/91/1412251891.db2.gz JXUJFKBCQHDXDH-QGZVFWFLSA-N 1 1 398.482 3.402 20 30 GGEDMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000112989527 1412251895 /nfs/dbraw/zinc/25/18/95/1412251895.db2.gz JXUJFKBCQHDXDH-QGZVFWFLSA-N 1 1 398.482 3.402 20 30 GGEDMO C[C@@H]1C[NH+](CCC(=O)Nc2sccc2C#N)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000112997862 1412253337 /nfs/dbraw/zinc/25/33/37/1412253337.db2.gz UOPFTFHBIHVTBO-ZIAGYGMSSA-N 1 1 392.525 3.278 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cccc(OCC#N)c3)cc2)C[C@H](C)O1 ZINC000113106713 1412263565 /nfs/dbraw/zinc/26/35/65/1412263565.db2.gz WAVSYWKQQAXUHP-HDICACEKSA-N 1 1 393.487 3.128 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cccc(OCC#N)c3)cc2)C[C@H](C)O1 ZINC000113106713 1412263573 /nfs/dbraw/zinc/26/35/73/1412263573.db2.gz WAVSYWKQQAXUHP-HDICACEKSA-N 1 1 393.487 3.128 20 30 GGEDMO CC[C@H](C#N)Oc1cc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)ccc1OC ZINC000113211726 1412276184 /nfs/dbraw/zinc/27/61/84/1412276184.db2.gz QMDXANKMNHZVBC-NQIIRXRSSA-N 1 1 381.476 3.295 20 30 GGEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)ccc1OC ZINC000113211723 1412276546 /nfs/dbraw/zinc/27/65/46/1412276546.db2.gz QMDXANKMNHZVBC-GHTZIAJQSA-N 1 1 381.476 3.295 20 30 GGEDMO CC[C@H](CNC(=O)NCc1cccc(OCC#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000113374505 1412300305 /nfs/dbraw/zinc/30/03/05/1412300305.db2.gz OUEOPKYHGJNLSO-OAQYLSRUSA-N 1 1 392.503 3.225 20 30 GGEDMO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000113404840 1412303338 /nfs/dbraw/zinc/30/33/38/1412303338.db2.gz OQADKWGQDUXDHZ-JOCHJYFZSA-N 1 1 397.567 3.040 20 30 GGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000113404840 1412303344 /nfs/dbraw/zinc/30/33/44/1412303344.db2.gz OQADKWGQDUXDHZ-JOCHJYFZSA-N 1 1 397.567 3.040 20 30 GGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000113405141 1412303991 /nfs/dbraw/zinc/30/39/91/1412303991.db2.gz VDORLBHWCHYHAM-LJQANCHMSA-N 1 1 384.524 3.376 20 30 GGEDMO N#CCOc1cccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000113557899 1412315532 /nfs/dbraw/zinc/31/55/32/1412315532.db2.gz QYHMZYUUURZQPS-UHFFFAOYSA-N 1 1 396.516 3.459 20 30 GGEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@H]2CCCC[N@H+]2CC)ccc1OC ZINC000113620865 1412322545 /nfs/dbraw/zinc/32/25/45/1412322545.db2.gz RFJBDQNNLNNFSV-MSOLQXFVSA-N 1 1 388.512 3.050 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113900455 1412347652 /nfs/dbraw/zinc/34/76/52/1412347652.db2.gz BEDNMAXGFCJXTC-RXVVDRJESA-N 1 1 399.583 3.459 20 30 GGEDMO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000113936041 1412355052 /nfs/dbraw/zinc/35/50/52/1412355052.db2.gz JPOQCKWWWZSIJW-GOSISDBHSA-N 1 1 398.507 3.305 20 30 GGEDMO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000113936041 1412355061 /nfs/dbraw/zinc/35/50/61/1412355061.db2.gz JPOQCKWWWZSIJW-GOSISDBHSA-N 1 1 398.507 3.305 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000113971924 1412360914 /nfs/dbraw/zinc/36/09/14/1412360914.db2.gz POSHBDFWOOJBIW-FQEVSTJZSA-N 1 1 380.492 3.299 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(OCC#N)c2)C1 ZINC000114028936 1412371463 /nfs/dbraw/zinc/37/14/63/1412371463.db2.gz GHIHVSPDKLOTIK-ICSRJNTNSA-N 1 1 384.524 3.385 20 30 GGEDMO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000114044002 1412374323 /nfs/dbraw/zinc/37/43/23/1412374323.db2.gz BMSBMGBJHYCLTR-OALUTQOASA-N 1 1 399.535 3.303 20 30 GGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000114187706 1412389433 /nfs/dbraw/zinc/38/94/33/1412389433.db2.gz LKLKZJCDWPBFKS-SJORKVTESA-N 1 1 375.538 3.453 20 30 GGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000114187700 1412389925 /nfs/dbraw/zinc/38/99/25/1412389925.db2.gz LKLKZJCDWPBFKS-IRXDYDNUSA-N 1 1 375.538 3.453 20 30 GGEDMO COC(=O)CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000114476218 1412442119 /nfs/dbraw/zinc/44/21/19/1412442119.db2.gz BVYGNERALHATRN-UHFFFAOYSA-N 1 1 388.512 3.304 20 30 GGEDMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000114500887 1412446682 /nfs/dbraw/zinc/44/66/82/1412446682.db2.gz LSKHDEQYMPMVDL-UONOGXRCSA-N 1 1 377.460 3.225 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114642705 1412483786 /nfs/dbraw/zinc/48/37/86/1412483786.db2.gz MVVZQDGOAFUPGU-OAQYLSRUSA-N 1 1 393.535 3.127 20 30 GGEDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177265273 1428661387 /nfs/dbraw/zinc/66/13/87/1428661387.db2.gz VPHJSCWDHUSLHV-CJNGLKHVSA-N 1 1 390.553 3.192 20 30 GGEDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177265273 1428661404 /nfs/dbraw/zinc/66/14/04/1428661404.db2.gz VPHJSCWDHUSLHV-CJNGLKHVSA-N 1 1 390.553 3.192 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3c[nH]c4ccc(F)cc34)CC2)cc1 ZINC000115323725 1412647711 /nfs/dbraw/zinc/64/77/11/1412647711.db2.gz NKABVYRRHZIRBT-UHFFFAOYSA-N 1 1 390.462 3.456 20 30 GGEDMO N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)c2)cc1 ZINC000115376039 1412660908 /nfs/dbraw/zinc/66/09/08/1412660908.db2.gz DVBBAYRPTORYSM-NRFANRHFSA-N 1 1 375.472 3.351 20 30 GGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000115511647 1412697675 /nfs/dbraw/zinc/69/76/75/1412697675.db2.gz AJXDNRMCFHWCLE-BVZALQNUSA-N 1 1 388.471 3.161 20 30 GGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000115512921 1412699435 /nfs/dbraw/zinc/69/94/35/1412699435.db2.gz OMULPKXATVQNSI-UTKZUKDTSA-N 1 1 388.471 3.158 20 30 GGEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000115598297 1412727197 /nfs/dbraw/zinc/72/71/97/1412727197.db2.gz QWSYIDMMUIPYJX-YVEFUNNKSA-N 1 1 377.366 3.377 20 30 GGEDMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000115598295 1412727365 /nfs/dbraw/zinc/72/73/65/1412727365.db2.gz QWSYIDMMUIPYJX-PXAZEXFGSA-N 1 1 377.366 3.377 20 30 GGEDMO N#Cc1ccc([C@@H](NCC2CC[NH+](Cc3ccccc3Cl)CC2)C(N)=O)cc1 ZINC000115599719 1412727675 /nfs/dbraw/zinc/72/76/75/1412727675.db2.gz MRYMHBYUZYFCHT-OAQYLSRUSA-N 1 1 396.922 3.240 20 30 GGEDMO N#Cc1cccc(OCC[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000177288219 1428672356 /nfs/dbraw/zinc/67/23/56/1428672356.db2.gz YCXUWAHOUVYQIH-UHFFFAOYSA-N 1 1 377.488 3.104 20 30 GGEDMO N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)NC3CCCCCC3)CC2)c1 ZINC000116402053 1412855180 /nfs/dbraw/zinc/85/51/80/1412855180.db2.gz ZKPULUJMOPHONJ-UHFFFAOYSA-N 1 1 382.508 3.048 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(-n4cccn4)c3)CC2)cc1 ZINC000116719575 1412904507 /nfs/dbraw/zinc/90/45/07/1412904507.db2.gz XLQUHYDYSKGRKL-UHFFFAOYSA-N 1 1 385.471 3.092 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(-n4cccn4)c3)CC2)cc1 ZINC000116719575 1412904537 /nfs/dbraw/zinc/90/45/37/1412904537.db2.gz XLQUHYDYSKGRKL-UHFFFAOYSA-N 1 1 385.471 3.092 20 30 GGEDMO COc1cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)ccc1OCc1cccc(C#N)c1 ZINC000116878386 1412946934 /nfs/dbraw/zinc/94/69/34/1412946934.db2.gz HUQLBGPPJGIVCL-HXUWFJFHSA-N 1 1 393.487 3.246 20 30 GGEDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000116879354 1412947192 /nfs/dbraw/zinc/94/71/92/1412947192.db2.gz BARTXTCPZJSICE-FQEVSTJZSA-N 1 1 393.487 3.104 20 30 GGEDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116879734 1412947829 /nfs/dbraw/zinc/94/78/29/1412947829.db2.gz HGMZZYUPNYUGOZ-INIZCTEOSA-N 1 1 382.460 3.387 20 30 GGEDMO CS[C@H]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000117507334 1413044291 /nfs/dbraw/zinc/04/42/91/1413044291.db2.gz KBUGIGMHMUSFLK-UXHICEINSA-N 1 1 386.565 3.450 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000117891481 1413086464 /nfs/dbraw/zinc/08/64/64/1413086464.db2.gz QMCCSQCWVPEHJN-HXUWFJFHSA-N 1 1 379.460 3.357 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000117891481 1413086467 /nfs/dbraw/zinc/08/64/67/1413086467.db2.gz QMCCSQCWVPEHJN-HXUWFJFHSA-N 1 1 379.460 3.357 20 30 GGEDMO C[C@@H](c1ccc(NC(=O)NCc2cccc(OCC#N)c2)cc1)[NH+]1CCOCC1 ZINC000118031789 1413100450 /nfs/dbraw/zinc/10/04/50/1413100450.db2.gz MISVNNUJPDMXED-KRWDZBQOSA-N 1 1 394.475 3.304 20 30 GGEDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000118114913 1413112176 /nfs/dbraw/zinc/11/21/76/1413112176.db2.gz QTLXSBOTGISDJN-UHFFFAOYSA-N 1 1 394.475 3.137 20 30 GGEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000118114051 1413112235 /nfs/dbraw/zinc/11/22/35/1413112235.db2.gz REHBOJGAWKMTSD-LJQANCHMSA-N 1 1 384.524 3.197 20 30 GGEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000118118096 1413112717 /nfs/dbraw/zinc/11/27/17/1413112717.db2.gz HVLRMQSXJKVATQ-INIZCTEOSA-N 1 1 394.475 3.136 20 30 GGEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000118118037 1413112744 /nfs/dbraw/zinc/11/27/44/1413112744.db2.gz PNFDQDIJLURODK-MRXNPFEDSA-N 1 1 394.475 3.136 20 30 GGEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000118118038 1413112809 /nfs/dbraw/zinc/11/28/09/1413112809.db2.gz PNFDQDIJLURODK-INIZCTEOSA-N 1 1 394.475 3.136 20 30 GGEDMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)C ZINC000118119346 1413112863 /nfs/dbraw/zinc/11/28/63/1413112863.db2.gz PTFNIVLQJFINPY-UHFFFAOYSA-N 1 1 394.475 3.136 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000118131295 1413115143 /nfs/dbraw/zinc/11/51/43/1413115143.db2.gz MRZRHWPHKCUTKF-OAHLLOKOSA-N 1 1 388.537 3.010 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CSc4ccccc43)CC2)cc1 ZINC000118307797 1413147009 /nfs/dbraw/zinc/14/70/09/1413147009.db2.gz IVWHIGGUTXNWIZ-HXUWFJFHSA-N 1 1 377.513 3.482 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CSc4ccccc43)CC2)cc1 ZINC000118307797 1413147016 /nfs/dbraw/zinc/14/70/16/1413147016.db2.gz IVWHIGGUTXNWIZ-HXUWFJFHSA-N 1 1 377.513 3.482 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CSc4ccccc43)CC2)cc1 ZINC000118307800 1413147363 /nfs/dbraw/zinc/14/73/63/1413147363.db2.gz IVWHIGGUTXNWIZ-FQEVSTJZSA-N 1 1 377.513 3.482 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CSc4ccccc43)CC2)cc1 ZINC000118307800 1413147365 /nfs/dbraw/zinc/14/73/65/1413147365.db2.gz IVWHIGGUTXNWIZ-FQEVSTJZSA-N 1 1 377.513 3.482 20 30 GGEDMO Cc1cccc(NC(=O)CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000118391164 1413158297 /nfs/dbraw/zinc/15/82/97/1413158297.db2.gz YUBBNHMGLCSPSO-LJQANCHMSA-N 1 1 376.504 3.492 20 30 GGEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000118802201 1413224492 /nfs/dbraw/zinc/22/44/92/1413224492.db2.gz BXWZAUCKOJNVBD-ZDUSSCGKSA-N 1 1 384.402 3.305 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]2C(C)(C)O)c1C#N ZINC000118980235 1413287422 /nfs/dbraw/zinc/28/74/22/1413287422.db2.gz RCWJDZMTNFYAJP-IBGZPJMESA-N 1 1 398.507 3.182 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000119139595 1413352437 /nfs/dbraw/zinc/35/24/37/1413352437.db2.gz WGNLZKMZDBPYPG-HSZRJFAPSA-N 1 1 386.499 3.484 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000119171034 1413364289 /nfs/dbraw/zinc/36/42/89/1413364289.db2.gz BZPKMTOKILIWJT-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000119171034 1413364297 /nfs/dbraw/zinc/36/42/97/1413364297.db2.gz BZPKMTOKILIWJT-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000119349887 1413420462 /nfs/dbraw/zinc/42/04/62/1413420462.db2.gz QHKDDGWWCRERKK-GOSISDBHSA-N 1 1 397.544 3.410 20 30 GGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000119378596 1413429745 /nfs/dbraw/zinc/42/97/45/1413429745.db2.gz YOHWQSBIOFJYHK-HXUWFJFHSA-N 1 1 393.510 3.127 20 30 GGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000119378596 1413429750 /nfs/dbraw/zinc/42/97/50/1413429750.db2.gz YOHWQSBIOFJYHK-HXUWFJFHSA-N 1 1 393.510 3.127 20 30 GGEDMO CC(C)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000119633361 1413510374 /nfs/dbraw/zinc/51/03/74/1413510374.db2.gz MZQDZKGSRWCBTF-JOCHJYFZSA-N 1 1 397.544 3.061 20 30 GGEDMO COCc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000119640032 1413512432 /nfs/dbraw/zinc/51/24/32/1413512432.db2.gz VUMWMJGPEJYTFT-UHFFFAOYSA-N 1 1 378.432 3.275 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000119699902 1413537207 /nfs/dbraw/zinc/53/72/07/1413537207.db2.gz AJSKWHUXDWNRPF-UWJYYQICSA-N 1 1 379.529 3.428 20 30 GGEDMO COc1cccc(C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]2CCCO2)c1 ZINC000119754280 1413556340 /nfs/dbraw/zinc/55/63/40/1413556340.db2.gz PDODFBXAGQRSPU-HXUWFJFHSA-N 1 1 385.508 3.019 20 30 GGEDMO COc1cccc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]2CCCO2)c1 ZINC000119754280 1413556348 /nfs/dbraw/zinc/55/63/48/1413556348.db2.gz PDODFBXAGQRSPU-HXUWFJFHSA-N 1 1 385.508 3.019 20 30 GGEDMO C#Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000119835478 1413587023 /nfs/dbraw/zinc/58/70/23/1413587023.db2.gz MHWZNLFMUCIWSS-VXKWHMMOSA-N 1 1 382.552 3.469 20 30 GGEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c2ccccc21 ZINC000177445443 1428739423 /nfs/dbraw/zinc/73/94/23/1428739423.db2.gz XOPAAYPSBZZBHY-IBGZPJMESA-N 1 1 395.503 3.398 20 30 GGEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c2ccccc21 ZINC000177445459 1428739600 /nfs/dbraw/zinc/73/96/00/1428739600.db2.gz XOPAAYPSBZZBHY-LJQANCHMSA-N 1 1 395.503 3.398 20 30 GGEDMO COc1ccc(CN2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cc1F ZINC000119916006 1413615918 /nfs/dbraw/zinc/61/59/18/1413615918.db2.gz BIAIFTPYXMERKA-KRWDZBQOSA-N 1 1 383.467 3.443 20 30 GGEDMO C[C@@H]1C[C@H](N(C)C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000119966905 1413635249 /nfs/dbraw/zinc/63/52/49/1413635249.db2.gz PBEZRUSPGVMYIZ-WIYYLYMNSA-N 1 1 390.483 3.278 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1C#N ZINC000120038828 1413664114 /nfs/dbraw/zinc/66/41/14/1413664114.db2.gz HZMYFHWRSJBNGL-GOSISDBHSA-N 1 1 382.533 3.401 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@H]2CCSC2)c1C#N ZINC000120038979 1413664172 /nfs/dbraw/zinc/66/41/72/1413664172.db2.gz HZMYFHWRSJBNGL-SFHVURJKSA-N 1 1 382.533 3.401 20 30 GGEDMO C#CCOc1ccc(C(=O)NCC2CC[NH+](Cc3csc(CC)n3)CC2)cc1 ZINC000120044695 1413665998 /nfs/dbraw/zinc/66/59/98/1413665998.db2.gz PNJOVZXQMRCYNZ-UHFFFAOYSA-N 1 1 397.544 3.360 20 30 GGEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000120215816 1413734820 /nfs/dbraw/zinc/73/48/20/1413734820.db2.gz SLCSCHMKSFCQCA-UHFFFAOYSA-N 1 1 388.512 3.168 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000120216221 1413735145 /nfs/dbraw/zinc/73/51/45/1413735145.db2.gz OLXYAMRKYNYBJZ-QZTJIDSGSA-N 1 1 384.524 3.144 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000120286819 1413768376 /nfs/dbraw/zinc/76/83/76/1413768376.db2.gz YFLUNJHFEWFZGD-SFHVURJKSA-N 1 1 393.487 3.500 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(N3CCCCC3=O)CC2)c1 ZINC000120311631 1413779355 /nfs/dbraw/zinc/77/93/55/1413779355.db2.gz RYASDQCDFXCNTM-UHFFFAOYSA-N 1 1 396.535 3.027 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(N3CCCCC3=O)CC2)c1C ZINC000120340127 1413794529 /nfs/dbraw/zinc/79/45/29/1413794529.db2.gz SFWZYORGLWCLIJ-UHFFFAOYSA-N 1 1 396.535 3.027 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(N3CCCCC3=O)CC2)cc1 ZINC000120403693 1413810810 /nfs/dbraw/zinc/81/08/10/1413810810.db2.gz ZHPRIXJWHXVPJL-LJQANCHMSA-N 1 1 396.535 3.107 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1C#N ZINC000120703848 1413879291 /nfs/dbraw/zinc/87/92/91/1413879291.db2.gz SHQMBBFQJBLETC-SJORKVTESA-N 1 1 398.482 3.136 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1C#N ZINC000120703848 1413879293 /nfs/dbraw/zinc/87/92/93/1413879293.db2.gz SHQMBBFQJBLETC-SJORKVTESA-N 1 1 398.482 3.136 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1C#N ZINC000120731287 1413887276 /nfs/dbraw/zinc/88/72/76/1413887276.db2.gz WVHJTUASFWIMLV-QZTJIDSGSA-N 1 1 398.507 3.039 20 30 GGEDMO CC(C)OCCN1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000177490131 1428765789 /nfs/dbraw/zinc/76/57/89/1428765789.db2.gz XUEMLKMMIRBZIW-HNNXBMFYSA-N 1 1 392.931 3.018 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)Cc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000120851270 1413926578 /nfs/dbraw/zinc/92/65/78/1413926578.db2.gz PADOIZIZPGGXGI-NQIIRXRSSA-N 1 1 377.488 3.301 20 30 GGEDMO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C#N)c1C ZINC000120859188 1413928854 /nfs/dbraw/zinc/92/88/54/1413928854.db2.gz ODWCQFCTKYNAIE-UHFFFAOYSA-N 1 1 398.532 3.144 20 30 GGEDMO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C#N)c1C ZINC000120859188 1413928857 /nfs/dbraw/zinc/92/88/57/1413928857.db2.gz ODWCQFCTKYNAIE-UHFFFAOYSA-N 1 1 398.532 3.144 20 30 GGEDMO N#Cc1ccccc1N1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000120925475 1413950222 /nfs/dbraw/zinc/95/02/22/1413950222.db2.gz UTNUERWARJLMIH-QFIPXVFZSA-N 1 1 377.488 3.438 20 30 GGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000120948056 1413956573 /nfs/dbraw/zinc/95/65/73/1413956573.db2.gz KJFRQOYTOJRPDP-KRWDZBQOSA-N 1 1 394.393 3.457 20 30 GGEDMO COc1cccc(C2CC(=O)C(=CNC[C@H](c3ccccc3)[NH+](C)C)C(=O)C2)c1 ZINC000121018317 1413978612 /nfs/dbraw/zinc/97/86/12/1413978612.db2.gz PUYIUULCJPAXNB-AVKWCDSFSA-N 1 1 392.499 3.487 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1 ZINC000121038111 1413985854 /nfs/dbraw/zinc/98/58/54/1413985854.db2.gz JAXCJTIJJMVOPH-DOMZBBRYSA-N 1 1 381.440 3.023 20 30 GGEDMO C#CCCOc1ccc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1 ZINC000121145688 1414024058 /nfs/dbraw/zinc/02/40/58/1414024058.db2.gz FRCWYODCNJFVJQ-INIZCTEOSA-N 1 1 380.452 3.134 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121289749 1414073304 /nfs/dbraw/zinc/07/33/04/1414073304.db2.gz UUHDPVRCUATQGK-DBXWQHBBSA-N 1 1 389.442 3.241 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121289749 1414073310 /nfs/dbraw/zinc/07/33/10/1414073310.db2.gz UUHDPVRCUATQGK-DBXWQHBBSA-N 1 1 389.442 3.241 20 30 GGEDMO CC(C)C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](O)c1ccc(F)cc1 ZINC000121295817 1414075394 /nfs/dbraw/zinc/07/53/94/1414075394.db2.gz VZGLYDOVWZSOJL-LJQANCHMSA-N 1 1 375.488 3.160 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000121429014 1414118758 /nfs/dbraw/zinc/11/87/58/1414118758.db2.gz IZAINYQEFUPMQS-UHFFFAOYSA-N 1 1 378.358 3.088 20 30 GGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H]3C(=O)NC3CC3)c2)c1 ZINC000121494525 1414149176 /nfs/dbraw/zinc/14/91/76/1414149176.db2.gz GJMVGKYVRIDMDQ-QFIPXVFZSA-N 1 1 375.472 3.380 20 30 GGEDMO NC(=[NH+]OCC(=O)N[C@@H]1CCOc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000177547191 1428788463 /nfs/dbraw/zinc/78/84/63/1428788463.db2.gz SPPPDBDTQSHCMY-XCLLZBPDSA-N 1 1 383.492 3.132 20 30 GGEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121633971 1414207352 /nfs/dbraw/zinc/20/73/52/1414207352.db2.gz SLYJQYOFLOGDJB-UHFFFAOYSA-N 1 1 383.517 3.081 20 30 GGEDMO N#Cc1ccc(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)s1 ZINC000121880155 1414289097 /nfs/dbraw/zinc/28/90/97/1414289097.db2.gz VWFSIMILJBLLOU-UHFFFAOYSA-N 1 1 399.545 3.482 20 30 GGEDMO N#Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000122485345 1414477696 /nfs/dbraw/zinc/47/76/96/1414477696.db2.gz KZLPNLCRTPJXSS-UNMCSNQZSA-N 1 1 395.528 3.233 20 30 GGEDMO N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC000177621319 1428813064 /nfs/dbraw/zinc/81/30/64/1428813064.db2.gz JPDOVPSEMDVPHL-QFIPXVFZSA-N 1 1 394.563 3.247 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000122628277 1414522940 /nfs/dbraw/zinc/52/29/40/1414522940.db2.gz YQLRLXYEIMDBEK-QGZVFWFLSA-N 1 1 399.004 3.371 20 30 GGEDMO C#CCCCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000177635700 1428818210 /nfs/dbraw/zinc/81/82/10/1428818210.db2.gz GOIBJJDICHMFLI-UHFFFAOYSA-N 1 1 378.314 3.126 20 30 GGEDMO COc1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000122831702 1414575647 /nfs/dbraw/zinc/57/56/47/1414575647.db2.gz SYTCPEBJMFVXOQ-UHFFFAOYSA-N 1 1 395.503 3.292 20 30 GGEDMO COc1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000122831702 1414575653 /nfs/dbraw/zinc/57/56/53/1414575653.db2.gz SYTCPEBJMFVXOQ-UHFFFAOYSA-N 1 1 395.503 3.292 20 30 GGEDMO COc1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000122831702 1414575660 /nfs/dbraw/zinc/57/56/60/1414575660.db2.gz SYTCPEBJMFVXOQ-UHFFFAOYSA-N 1 1 395.503 3.292 20 30 GGEDMO C=CCOc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000122894821 1414591132 /nfs/dbraw/zinc/59/11/32/1414591132.db2.gz NHJMEQVVWLLACZ-DENIHFKCSA-N 1 1 395.503 3.256 20 30 GGEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@@H]1C ZINC000122926043 1414598865 /nfs/dbraw/zinc/59/88/65/1414598865.db2.gz UVXIJZJEMBCFDH-SQNIBIBYSA-N 1 1 398.551 3.334 20 30 GGEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@@H]1C ZINC000122926043 1414598868 /nfs/dbraw/zinc/59/88/68/1414598868.db2.gz UVXIJZJEMBCFDH-SQNIBIBYSA-N 1 1 398.551 3.334 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000123028933 1414622990 /nfs/dbraw/zinc/62/29/90/1414622990.db2.gz RKCJIKSAGDEZSH-GASCZTMLSA-N 1 1 384.480 3.056 20 30 GGEDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000177663256 1428826455 /nfs/dbraw/zinc/82/64/55/1428826455.db2.gz COBLZAGQMHVEPY-SFHVURJKSA-N 1 1 393.491 3.049 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)s1 ZINC000123241324 1414676583 /nfs/dbraw/zinc/67/65/83/1414676583.db2.gz XRWATCPJRWFYQF-SFHVURJKSA-N 1 1 381.549 3.049 20 30 GGEDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177665853 1428827500 /nfs/dbraw/zinc/82/75/00/1428827500.db2.gz RFPVEMOVISVPRK-CQSZACIVSA-N 1 1 389.443 3.072 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3ccc(Cl)nc3)CC2)cc1 ZINC000123531444 1414764932 /nfs/dbraw/zinc/76/49/32/1414764932.db2.gz XESFYLJAAHPDJR-UHFFFAOYSA-N 1 1 397.910 3.067 20 30 GGEDMO CCOc1cc(C[NH+]2CCC(C#N)CC2)ccc1OCC(=O)N1CCCCC1 ZINC000123725111 1414816197 /nfs/dbraw/zinc/81/61/97/1414816197.db2.gz JGISVKMMHPMICH-UHFFFAOYSA-N 1 1 385.508 3.212 20 30 GGEDMO CN(CCC#N)c1ccc(CNc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000123989953 1414864129 /nfs/dbraw/zinc/86/41/29/1414864129.db2.gz OKQVAWKQUKHGAT-UHFFFAOYSA-N 1 1 377.536 3.396 20 30 GGEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)nc1 ZINC000177738064 1428846506 /nfs/dbraw/zinc/84/65/06/1428846506.db2.gz FTRRHGDDKUFHKU-LJQANCHMSA-N 1 1 378.476 3.381 20 30 GGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124236385 1414916719 /nfs/dbraw/zinc/91/67/19/1414916719.db2.gz FKEYODYKVJTAHI-LJQANCHMSA-N 1 1 385.471 3.247 20 30 GGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124236385 1414916725 /nfs/dbraw/zinc/91/67/25/1414916725.db2.gz FKEYODYKVJTAHI-LJQANCHMSA-N 1 1 385.471 3.247 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000125022528 1415093454 /nfs/dbraw/zinc/09/34/54/1415093454.db2.gz XFUWSTUFDSTTQL-AZUAARDMSA-N 1 1 386.517 3.235 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Oc4ccc(F)cc4F)CC3)C2=O)cc1 ZINC000125058448 1415101076 /nfs/dbraw/zinc/10/10/76/1415101076.db2.gz SJYHPCHSPDOPFY-FQEVSTJZSA-N 1 1 397.425 3.485 20 30 GGEDMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000125203585 1415129706 /nfs/dbraw/zinc/12/97/06/1415129706.db2.gz IQZOMQLOKCLMKW-MRXNPFEDSA-N 1 1 397.450 3.379 20 30 GGEDMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000125203585 1415129707 /nfs/dbraw/zinc/12/97/07/1415129707.db2.gz IQZOMQLOKCLMKW-MRXNPFEDSA-N 1 1 397.450 3.379 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccn(C4CCCC4)n3)CC2)cc1 ZINC000125277766 1415150174 /nfs/dbraw/zinc/15/01/74/1415150174.db2.gz MEYCHQBDSMDGSA-UHFFFAOYSA-N 1 1 377.492 3.218 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccn(C4CCCC4)n3)CC2)cc1 ZINC000125277766 1415150183 /nfs/dbraw/zinc/15/01/83/1415150183.db2.gz MEYCHQBDSMDGSA-UHFFFAOYSA-N 1 1 377.492 3.218 20 30 GGEDMO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125292373 1415155117 /nfs/dbraw/zinc/15/51/17/1415155117.db2.gz UZGHJRPDCPLAIH-KRWDZBQOSA-N 1 1 392.503 3.499 20 30 GGEDMO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125292373 1415155123 /nfs/dbraw/zinc/15/51/23/1415155123.db2.gz UZGHJRPDCPLAIH-KRWDZBQOSA-N 1 1 392.503 3.499 20 30 GGEDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000125416459 1415191659 /nfs/dbraw/zinc/19/16/59/1415191659.db2.gz OHZUOBUOYZAFEC-GASCZTMLSA-N 1 1 375.900 3.173 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(OCCc4ccccc4)CC3)C2=O)cc1 ZINC000125714183 1415260235 /nfs/dbraw/zinc/26/02/35/1415260235.db2.gz OODULURTNSFGRT-QHCPKHFHSA-N 1 1 389.499 3.387 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125721735 1415262193 /nfs/dbraw/zinc/26/21/93/1415262193.db2.gz NKUBRTIPNLWKOC-IBGZPJMESA-N 1 1 383.536 3.441 20 30 GGEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(F)cc3C#N)c2)CCO1 ZINC000177894966 1428885823 /nfs/dbraw/zinc/88/58/23/1428885823.db2.gz NVSTYUFOEKHMAC-HNNXBMFYSA-N 1 1 382.439 3.240 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(F)cc3C#N)c2)CCO1 ZINC000177894966 1428885828 /nfs/dbraw/zinc/88/58/28/1428885828.db2.gz NVSTYUFOEKHMAC-HNNXBMFYSA-N 1 1 382.439 3.240 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(F)cc3C#N)CC2)oc1C ZINC000177917931 1428890979 /nfs/dbraw/zinc/89/09/79/1428890979.db2.gz RKCDLDQIKDSXSH-UHFFFAOYSA-N 1 1 385.443 3.336 20 30 GGEDMO Cn1cc(N2CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)cn1 ZINC000126111565 1415360916 /nfs/dbraw/zinc/36/09/16/1415360916.db2.gz UJOLGYCHBZHTHR-UHFFFAOYSA-N 1 1 387.487 3.193 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCCO2)c1C#N ZINC000126121959 1415363497 /nfs/dbraw/zinc/36/34/97/1415363497.db2.gz LXHVVFMVCPTZGL-KRWDZBQOSA-N 1 1 384.480 3.057 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCCO2)c1C#N ZINC000126121959 1415363506 /nfs/dbraw/zinc/36/35/06/1415363506.db2.gz LXHVVFMVCPTZGL-KRWDZBQOSA-N 1 1 384.480 3.057 20 30 GGEDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(C)C ZINC000126427240 1415450070 /nfs/dbraw/zinc/45/00/70/1415450070.db2.gz ZEHBLOZGRVQXBL-UHFFFAOYSA-N 1 1 394.475 3.136 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000126482104 1415466568 /nfs/dbraw/zinc/46/65/68/1415466568.db2.gz OIBFOWLVVJUJFH-FQEVSTJZSA-N 1 1 395.503 3.070 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000126482104 1415466571 /nfs/dbraw/zinc/46/65/71/1415466571.db2.gz OIBFOWLVVJUJFH-FQEVSTJZSA-N 1 1 395.503 3.070 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000178021580 1428941409 /nfs/dbraw/zinc/94/14/09/1428941409.db2.gz MKNZJASKRXONLY-GOSISDBHSA-N 1 1 384.524 3.306 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000126749977 1415547557 /nfs/dbraw/zinc/54/75/57/1415547557.db2.gz YUPRKCSJMABMJX-INIZCTEOSA-N 1 1 393.528 3.363 20 30 GGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000178043114 1428953341 /nfs/dbraw/zinc/95/33/41/1428953341.db2.gz VICYXIDCLPZGEI-LJQANCHMSA-N 1 1 390.487 3.029 20 30 GGEDMO Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000127007062 1415633616 /nfs/dbraw/zinc/63/36/16/1415633616.db2.gz LQQASNAMACZVPT-MRXNPFEDSA-N 1 1 380.492 3.391 20 30 GGEDMO CCCCNC(=O)C1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000127060455 1415649641 /nfs/dbraw/zinc/64/96/41/1415649641.db2.gz QPWWIBSGHISDRN-UHFFFAOYSA-N 1 1 394.519 3.366 20 30 GGEDMO C=CCCOCCNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000127067142 1415652684 /nfs/dbraw/zinc/65/26/84/1415652684.db2.gz JTNRMSJQUGEUMF-UHFFFAOYSA-N 1 1 398.507 3.198 20 30 GGEDMO C=C(Br)C[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000127109471 1415661908 /nfs/dbraw/zinc/66/19/08/1415661908.db2.gz LUNZDMSQLWNNNS-UHFFFAOYSA-N 1 1 377.323 3.291 20 30 GGEDMO Cc1ccc(C[NH+]2CCSCC2)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000127318359 1415735270 /nfs/dbraw/zinc/73/52/70/1415735270.db2.gz ULZLRXSJPZZCQN-UHFFFAOYSA-N 1 1 387.530 3.216 20 30 GGEDMO C#CCC[NH+]1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000127326804 1415739039 /nfs/dbraw/zinc/73/90/39/1415739039.db2.gz OGWCAOFXQHKHJU-UHFFFAOYSA-N 1 1 385.527 3.128 20 30 GGEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1OCC(=O)N1CCCC1 ZINC000127386875 1415761606 /nfs/dbraw/zinc/76/16/06/1415761606.db2.gz ZSXAYRNNYNWXOB-UHFFFAOYSA-N 1 1 393.487 3.200 20 30 GGEDMO Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(OCC[NH+](C)C)c1 ZINC000127392227 1415763729 /nfs/dbraw/zinc/76/37/29/1415763729.db2.gz QDJSIRSJCURVNJ-UHFFFAOYSA-N 1 1 393.896 3.261 20 30 GGEDMO N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178126829 1428991381 /nfs/dbraw/zinc/99/13/81/1428991381.db2.gz UTWBJBFHSSEDAZ-HXUWFJFHSA-N 1 1 380.536 3.252 20 30 GGEDMO C=CCCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000127448936 1415782893 /nfs/dbraw/zinc/78/28/93/1415782893.db2.gz PGVWTEQWEKBEQO-QGZVFWFLSA-N 1 1 385.430 3.172 20 30 GGEDMO C#CCOc1ccc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000127493770 1415800685 /nfs/dbraw/zinc/80/06/85/1415800685.db2.gz RMHUFQKJOJLBBQ-HXUWFJFHSA-N 1 1 377.488 3.008 20 30 GGEDMO C#CCOc1ccccc1CNc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000127512280 1415803186 /nfs/dbraw/zinc/80/31/86/1415803186.db2.gz FJHXTCKBOLIVLD-FQEVSTJZSA-N 1 1 377.488 3.008 20 30 GGEDMO C#CCOc1ccccc1CNc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000127512515 1415803241 /nfs/dbraw/zinc/80/32/41/1415803241.db2.gz FJHXTCKBOLIVLD-HXUWFJFHSA-N 1 1 377.488 3.008 20 30 GGEDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000127838172 1415860202 /nfs/dbraw/zinc/86/02/02/1415860202.db2.gz BNEZZDCWSGRFJV-MRXNPFEDSA-N 1 1 380.366 3.329 20 30 GGEDMO C=C(Cl)COc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128211918 1415940273 /nfs/dbraw/zinc/94/02/73/1415940273.db2.gz DIHBWCGUQYXBNE-WMZOPIPTSA-N 1 1 379.932 3.056 20 30 GGEDMO C=C(Cl)COc1ccc([C@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128211918 1415940275 /nfs/dbraw/zinc/94/02/75/1415940275.db2.gz DIHBWCGUQYXBNE-WMZOPIPTSA-N 1 1 379.932 3.056 20 30 GGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000128481903 1415997495 /nfs/dbraw/zinc/99/74/95/1415997495.db2.gz XRVSZINJYFQWTM-IBGZPJMESA-N 1 1 384.524 3.053 20 30 GGEDMO N#Cc1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1N1CCC(O)CC1 ZINC000178294506 1429044479 /nfs/dbraw/zinc/04/44/79/1429044479.db2.gz OXRSRZHGHWPYJN-KRWDZBQOSA-N 1 1 396.535 3.112 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)NCc2cccc(C[N@H+](C)CC)c2)c1 ZINC000128786563 1416068532 /nfs/dbraw/zinc/06/85/32/1416068532.db2.gz OSBUHUSTCVPZAT-UHFFFAOYSA-N 1 1 395.503 3.348 20 30 GGEDMO C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1 ZINC000128955647 1416112970 /nfs/dbraw/zinc/11/29/70/1416112970.db2.gz KKOGDKDIJJQSOP-OAHLLOKOSA-N 1 1 383.517 3.340 20 30 GGEDMO C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000128955647 1416112978 /nfs/dbraw/zinc/11/29/78/1416112978.db2.gz KKOGDKDIJJQSOP-OAHLLOKOSA-N 1 1 383.517 3.340 20 30 GGEDMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1CCC(C)C ZINC000128969346 1416116008 /nfs/dbraw/zinc/11/60/08/1416116008.db2.gz ZZDGFZLBEOCCKC-UHFFFAOYSA-N 1 1 393.535 3.457 20 30 GGEDMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1CCC(C)C ZINC000128969346 1416116011 /nfs/dbraw/zinc/11/60/11/1416116011.db2.gz ZZDGFZLBEOCCKC-UHFFFAOYSA-N 1 1 393.535 3.457 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000178395114 1429068813 /nfs/dbraw/zinc/06/88/13/1429068813.db2.gz NGLYWMABWQVNPH-QFIPXVFZSA-N 1 1 398.528 3.094 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000178395114 1429068820 /nfs/dbraw/zinc/06/88/20/1429068820.db2.gz NGLYWMABWQVNPH-QFIPXVFZSA-N 1 1 398.528 3.094 20 30 GGEDMO Cc1noc(C2CC2)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000129257460 1416181220 /nfs/dbraw/zinc/18/12/20/1416181220.db2.gz RIUNWVZUNABTEL-UHFFFAOYSA-N 1 1 379.464 3.472 20 30 GGEDMO Cc1noc(C2CC2)c1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000129257460 1416181222 /nfs/dbraw/zinc/18/12/22/1416181222.db2.gz RIUNWVZUNABTEL-UHFFFAOYSA-N 1 1 379.464 3.472 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)COc1ccc(C#N)cc1 ZINC000129487954 1416217671 /nfs/dbraw/zinc/21/76/71/1416217671.db2.gz YFDHHDGPCDLROT-UHFFFAOYSA-N 1 1 389.455 3.478 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)COc1ccc(C#N)cc1 ZINC000129487954 1416217674 /nfs/dbraw/zinc/21/76/74/1416217674.db2.gz YFDHHDGPCDLROT-UHFFFAOYSA-N 1 1 389.455 3.478 20 30 GGEDMO N#CCCn1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000129897841 1416281694 /nfs/dbraw/zinc/28/16/94/1416281694.db2.gz VHYJWYCRJOGQAX-PMACEKPBSA-N 1 1 392.507 3.315 20 30 GGEDMO CCOC(=O)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000130411441 1416373404 /nfs/dbraw/zinc/37/34/04/1416373404.db2.gz LRYJWKSVEBUONN-INIZCTEOSA-N 1 1 389.471 3.126 20 30 GGEDMO Cc1nccn1CCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000130595952 1416407043 /nfs/dbraw/zinc/40/70/43/1416407043.db2.gz CQHQQYMNAQYLBW-IBGZPJMESA-N 1 1 381.524 3.466 20 30 GGEDMO Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000130595675 1416407100 /nfs/dbraw/zinc/40/71/00/1416407100.db2.gz CQHQQYMNAQYLBW-LJQANCHMSA-N 1 1 381.524 3.466 20 30 GGEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000130619728 1416412048 /nfs/dbraw/zinc/41/20/48/1416412048.db2.gz PKQNLCPREIVOQZ-RTWAWAEBSA-N 1 1 392.503 3.245 20 30 GGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000130816192 1416458269 /nfs/dbraw/zinc/45/82/69/1416458269.db2.gz NYXHYMCBFFKCGX-UHFFFAOYSA-N 1 1 386.455 3.200 20 30 GGEDMO N#Cc1ccccc1OCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130816440 1416458436 /nfs/dbraw/zinc/45/84/36/1416458436.db2.gz QBLUGVRGVMLKQA-UHFFFAOYSA-N 1 1 383.455 3.179 20 30 GGEDMO C[C@@H]1C[C@H](N(C)C(=O)CNc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000130827980 1416461460 /nfs/dbraw/zinc/46/14/60/1416461460.db2.gz LQEOHVBPCJJZEW-XMSQKQJNSA-N 1 1 376.504 3.482 20 30 GGEDMO COC(=O)c1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000130841652 1416464886 /nfs/dbraw/zinc/46/48/86/1416464886.db2.gz GGJIJYRBRZZCCR-UHFFFAOYSA-N 1 1 386.455 3.215 20 30 GGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000130844264 1416465329 /nfs/dbraw/zinc/46/53/29/1416465329.db2.gz AEAQAAVDTAIQEV-OAQYLSRUSA-N 1 1 376.435 3.101 20 30 GGEDMO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(C#N)s4)CC3)cc2NC1=O ZINC000130935334 1416483779 /nfs/dbraw/zinc/48/37/79/1416483779.db2.gz HDYOHLZTSHJCJO-CYBMUJFWSA-N 1 1 395.484 3.434 20 30 GGEDMO CC[C@@H](c1ccncc1)[N@H+](CC)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000131463085 1416561301 /nfs/dbraw/zinc/56/13/01/1416561301.db2.gz APHPEXVQHCYZNJ-FQEVSTJZSA-N 1 1 391.475 3.148 20 30 GGEDMO CC[C@@H](c1ccncc1)[N@@H+](CC)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000131463085 1416561306 /nfs/dbraw/zinc/56/13/06/1416561306.db2.gz APHPEXVQHCYZNJ-FQEVSTJZSA-N 1 1 391.475 3.148 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000131488040 1416565365 /nfs/dbraw/zinc/56/53/65/1416565365.db2.gz ZMTUHAFGAAAKFQ-HXUWFJFHSA-N 1 1 398.459 3.130 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1 ZINC000131488040 1416565369 /nfs/dbraw/zinc/56/53/69/1416565369.db2.gz ZMTUHAFGAAAKFQ-HXUWFJFHSA-N 1 1 398.459 3.130 20 30 GGEDMO CC[C@H](c1ccncc1)[N@H+](CC)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000131507054 1416568283 /nfs/dbraw/zinc/56/82/83/1416568283.db2.gz ATPWZRXEFOQWRK-HXUWFJFHSA-N 1 1 391.475 3.148 20 30 GGEDMO CC[C@H](c1ccncc1)[N@@H+](CC)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000131507054 1416568286 /nfs/dbraw/zinc/56/82/86/1416568286.db2.gz ATPWZRXEFOQWRK-HXUWFJFHSA-N 1 1 391.475 3.148 20 30 GGEDMO C[N@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000131641335 1416588804 /nfs/dbraw/zinc/58/88/04/1416588804.db2.gz XQKNYHJPBANBOS-LJQANCHMSA-N 1 1 380.517 3.457 20 30 GGEDMO C[N@@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000131641335 1416588807 /nfs/dbraw/zinc/58/88/07/1416588807.db2.gz XQKNYHJPBANBOS-LJQANCHMSA-N 1 1 380.517 3.457 20 30 GGEDMO CC(C)Oc1cc(C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000131656295 1416591595 /nfs/dbraw/zinc/59/15/95/1416591595.db2.gz SYNRIQIPSSLDSW-HXUWFJFHSA-N 1 1 381.476 3.145 20 30 GGEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 ZINC000131715488 1416603251 /nfs/dbraw/zinc/60/32/51/1416603251.db2.gz NZTAVDXDBANLJT-LJQANCHMSA-N 1 1 384.867 3.135 20 30 GGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 ZINC000131715488 1416603254 /nfs/dbraw/zinc/60/32/54/1416603254.db2.gz NZTAVDXDBANLJT-LJQANCHMSA-N 1 1 384.867 3.135 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131750405 1416611289 /nfs/dbraw/zinc/61/12/89/1416611289.db2.gz OPNLKRGWEIUNEU-GJZGRUSLSA-N 1 1 391.899 3.056 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131750614 1416611678 /nfs/dbraw/zinc/61/16/78/1416611678.db2.gz OPNLKRGWEIUNEU-CABCVRRESA-N 1 1 391.899 3.056 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000178579234 1429113237 /nfs/dbraw/zinc/11/32/37/1429113237.db2.gz NWQJMUDPAYCAQW-UHFFFAOYSA-N 1 1 391.519 3.148 20 30 GGEDMO Cc1cc(C#N)ccc1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178592084 1429115717 /nfs/dbraw/zinc/11/57/17/1429115717.db2.gz NHIKWNBRONXLNY-QZTJIDSGSA-N 1 1 377.488 3.406 20 30 GGEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178590818 1429115922 /nfs/dbraw/zinc/11/59/22/1429115922.db2.gz HNDYUEOVLFUXAW-SJORKVTESA-N 1 1 384.524 3.230 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178590818 1429115927 /nfs/dbraw/zinc/11/59/27/1429115927.db2.gz HNDYUEOVLFUXAW-SJORKVTESA-N 1 1 384.524 3.230 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000131977516 1416664707 /nfs/dbraw/zinc/66/47/07/1416664707.db2.gz MWHUQUDGCQVCDX-SFTDATJTSA-N 1 1 395.503 3.398 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000131978126 1416665602 /nfs/dbraw/zinc/66/56/02/1416665602.db2.gz MWHUQUDGCQVCDX-NHCUHLMSSA-N 1 1 395.503 3.398 20 30 GGEDMO N#Cc1ccccc1OCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132118693 1416700513 /nfs/dbraw/zinc/70/05/13/1416700513.db2.gz WCSBHWMWPHDASP-VXKWHMMOSA-N 1 1 389.499 3.450 20 30 GGEDMO Cc1cc(N2CCC(NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000178622633 1429123853 /nfs/dbraw/zinc/12/38/53/1429123853.db2.gz NSDVORXGHJGLNS-UHFFFAOYSA-N 1 1 395.511 3.312 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOC[C@@H]2C2CC2)c1C#N ZINC000132341605 1416740709 /nfs/dbraw/zinc/74/07/09/1416740709.db2.gz XPNRHPYKFCBCJF-HXUWFJFHSA-N 1 1 396.491 3.057 20 30 GGEDMO C[C@H]1C[C@@H](N(C)C(=O)COc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000132421562 1416756806 /nfs/dbraw/zinc/75/68/06/1416756806.db2.gz IJFYGFCBNZHTFZ-RXVVDRJESA-N 1 1 377.488 3.449 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000178637046 1429126270 /nfs/dbraw/zinc/12/62/70/1429126270.db2.gz GWGAWUMYYFERNN-KRWDZBQOSA-N 1 1 384.524 3.230 20 30 GGEDMO C=C[C@@H](CC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000132517380 1416776580 /nfs/dbraw/zinc/77/65/80/1416776580.db2.gz GKEGBDLWRSCBLZ-NRFANRHFSA-N 1 1 397.563 3.139 20 30 GGEDMO CCC[C@H]1C[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 ZINC000132598617 1416790731 /nfs/dbraw/zinc/79/07/31/1416790731.db2.gz PDIUZIOEGLLWKD-SFHVURJKSA-N 1 1 398.507 3.447 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)C1 ZINC000132920915 1416831661 /nfs/dbraw/zinc/83/16/61/1416831661.db2.gz FHETXWIBXMZLSS-GIVPXCGWSA-N 1 1 386.540 3.468 20 30 GGEDMO CNC(=O)c1ccc(C[N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000178675288 1429136598 /nfs/dbraw/zinc/13/65/98/1429136598.db2.gz GCCLXPGQMKVFIK-UHFFFAOYSA-N 1 1 376.378 3.428 20 30 GGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000133339639 1416880500 /nfs/dbraw/zinc/88/05/00/1416880500.db2.gz RBMXPBBNCIBKFG-UHFFFAOYSA-N 1 1 392.503 3.371 20 30 GGEDMO C[N@@H+](CCc1cccc(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c1)C1CC1 ZINC000133597346 1416915465 /nfs/dbraw/zinc/91/54/65/1416915465.db2.gz GYSICQSUYVMEHP-UHFFFAOYSA-N 1 1 396.878 3.426 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C[C@H]1COc2ccccc2O1 ZINC000178695794 1429143395 /nfs/dbraw/zinc/14/33/95/1429143395.db2.gz DYGIMYYORXUEDJ-INIZCTEOSA-N 1 1 383.448 3.259 20 30 GGEDMO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C[C@H]1COc2ccccc2O1 ZINC000178695794 1429143404 /nfs/dbraw/zinc/14/34/04/1429143404.db2.gz DYGIMYYORXUEDJ-INIZCTEOSA-N 1 1 383.448 3.259 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CC1 ZINC000178701125 1429145626 /nfs/dbraw/zinc/14/56/26/1429145626.db2.gz CXHFAEWAMPYFIB-KRWDZBQOSA-N 1 1 384.524 3.088 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C)c1 ZINC000134039283 1417013538 /nfs/dbraw/zinc/01/35/38/1417013538.db2.gz UQSVBQFPLYXRGG-SFHVURJKSA-N 1 1 375.432 3.187 20 30 GGEDMO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000134097116 1417022026 /nfs/dbraw/zinc/02/20/26/1417022026.db2.gz HIECBRBJAKNBRP-QFIPXVFZSA-N 1 1 375.472 3.063 20 30 GGEDMO N#Cc1ccc(OCC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000134263442 1417046257 /nfs/dbraw/zinc/04/62/57/1417046257.db2.gz ZRXFJGSLPJYTFI-GOSISDBHSA-N 1 1 399.878 3.077 20 30 GGEDMO N#CCOc1ccccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134268196 1417046822 /nfs/dbraw/zinc/04/68/22/1417046822.db2.gz MONVBEJVXXCXOP-QGZVFWFLSA-N 1 1 399.878 3.342 20 30 GGEDMO CN(C(=O)C[N@H+](CCCO)Cc1cccc(Cl)c1)C1(C#N)CCCCC1 ZINC000134290502 1417050551 /nfs/dbraw/zinc/05/05/51/1417050551.db2.gz LBDGIETYPMRTDZ-UHFFFAOYSA-N 1 1 377.916 3.209 20 30 GGEDMO CN(C(=O)C[N@@H+](CCCO)Cc1cccc(Cl)c1)C1(C#N)CCCCC1 ZINC000134290502 1417050557 /nfs/dbraw/zinc/05/05/57/1417050557.db2.gz LBDGIETYPMRTDZ-UHFFFAOYSA-N 1 1 377.916 3.209 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@H](CO)C(C)(C)C)c1C#N ZINC000134382253 1417062796 /nfs/dbraw/zinc/06/27/96/1417062796.db2.gz KNSVFKKTNOSERJ-HXUWFJFHSA-N 1 1 396.535 3.302 20 30 GGEDMO N#Cc1ccccc1Oc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000134546097 1417084789 /nfs/dbraw/zinc/08/47/89/1417084789.db2.gz LWEFTTKMQDCGJW-UHFFFAOYSA-N 1 1 399.878 3.456 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000134639745 1417102715 /nfs/dbraw/zinc/10/27/15/1417102715.db2.gz MMKRTUMMXHZFJN-ZFWWWQNUSA-N 1 1 392.525 3.326 20 30 GGEDMO C=C(C)CN1CCC([NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC1 ZINC000134738233 1417118683 /nfs/dbraw/zinc/11/86/83/1417118683.db2.gz PUYJDFYWVFRRFV-SFTDATJTSA-N 1 1 377.960 3.342 20 30 GGEDMO C=C(C)CN1CCC([NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CC1 ZINC000134738277 1417118828 /nfs/dbraw/zinc/11/88/28/1417118828.db2.gz PUYJDFYWVFRRFV-RTWAWAEBSA-N 1 1 377.960 3.342 20 30 GGEDMO C=C(C)CN1CCC([NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CC1 ZINC000134738256 1417118834 /nfs/dbraw/zinc/11/88/34/1417118834.db2.gz PUYJDFYWVFRRFV-LEWJYISDSA-N 1 1 377.960 3.342 20 30 GGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871284 1417136874 /nfs/dbraw/zinc/13/68/74/1417136874.db2.gz VCWHYLZOCAHXEC-VANXUTSUSA-N 1 1 386.584 3.254 20 30 GGEDMO N#CCSc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134891260 1417140553 /nfs/dbraw/zinc/14/05/53/1417140553.db2.gz HVBYHODWMXQTDT-VQIMIIECSA-N 1 1 384.549 3.189 20 30 GGEDMO N#CCSc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134891287 1417140696 /nfs/dbraw/zinc/14/06/96/1417140696.db2.gz HVBYHODWMXQTDT-APWZRJJASA-N 1 1 384.549 3.189 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134929887 1417147303 /nfs/dbraw/zinc/14/73/03/1417147303.db2.gz BAEIUCJEVWWBAG-DYESRHJHSA-N 1 1 393.535 3.125 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134941223 1417149071 /nfs/dbraw/zinc/14/90/71/1417149071.db2.gz MIRLTXZTQOZXLF-NNMXDRDESA-N 1 1 380.536 3.270 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134941247 1417149101 /nfs/dbraw/zinc/14/91/01/1417149101.db2.gz MIRLTXZTQOZXLF-WOIUINJBSA-N 1 1 380.536 3.270 20 30 GGEDMO C=C(C)COCCNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000134982100 1417156687 /nfs/dbraw/zinc/15/66/87/1417156687.db2.gz RCBHCWWEKQJILR-UHFFFAOYSA-N 1 1 398.507 3.198 20 30 GGEDMO COc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000135073415 1417170066 /nfs/dbraw/zinc/17/00/66/1417170066.db2.gz YBGINVCTQNOHOF-KRWDZBQOSA-N 1 1 394.393 3.457 20 30 GGEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000135103972 1417172714 /nfs/dbraw/zinc/17/27/14/1417172714.db2.gz BWIOOPHNHDKDGG-UHFFFAOYSA-N 1 1 394.494 3.383 20 30 GGEDMO C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135117516 1417174119 /nfs/dbraw/zinc/17/41/19/1417174119.db2.gz BZIOJOMJGCJOMY-IBGZPJMESA-N 1 1 382.552 3.006 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000135120497 1417174124 /nfs/dbraw/zinc/17/41/24/1417174124.db2.gz OFRCTDYCARVPNL-SFHVURJKSA-N 1 1 393.535 3.079 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000135120497 1417174125 /nfs/dbraw/zinc/17/41/25/1417174125.db2.gz OFRCTDYCARVPNL-SFHVURJKSA-N 1 1 393.535 3.079 20 30 GGEDMO COc1cccc(CC(=O)N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)c1 ZINC000135147547 1417178249 /nfs/dbraw/zinc/17/82/49/1417178249.db2.gz LHXBFMNCSFSXCY-UHFFFAOYSA-N 1 1 391.515 3.383 20 30 GGEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCOC2)c1C#N ZINC000178769159 1429164992 /nfs/dbraw/zinc/16/49/92/1429164992.db2.gz RIJTXIUWGJCYOK-SFHVURJKSA-N 1 1 398.482 3.071 20 30 GGEDMO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135256415 1417197803 /nfs/dbraw/zinc/19/78/03/1417197803.db2.gz SYUIYUABXLFDSX-QGZVFWFLSA-N 1 1 397.523 3.286 20 30 GGEDMO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000135436062 1417219699 /nfs/dbraw/zinc/21/96/99/1417219699.db2.gz FQGUUARVOOWZHT-INIZCTEOSA-N 1 1 386.521 3.384 20 30 GGEDMO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000135436062 1417219702 /nfs/dbraw/zinc/21/97/02/1417219702.db2.gz FQGUUARVOOWZHT-INIZCTEOSA-N 1 1 386.521 3.384 20 30 GGEDMO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C[C@H]1CCOC1 ZINC000178783636 1429168941 /nfs/dbraw/zinc/16/89/41/1429168941.db2.gz SVNYXDWNOYBVSZ-QGZVFWFLSA-N 1 1 392.503 3.135 20 30 GGEDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000135635690 1417251150 /nfs/dbraw/zinc/25/11/50/1417251150.db2.gz XOEOTKFEZPRSNR-MRXNPFEDSA-N 1 1 383.521 3.180 20 30 GGEDMO C=C(C)COCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135778788 1417266795 /nfs/dbraw/zinc/26/67/95/1417266795.db2.gz HVNUPPFXDUMGRQ-MAUKXSAKSA-N 1 1 383.895 3.364 20 30 GGEDMO CCOc1ccnc(N2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135792852 1417269012 /nfs/dbraw/zinc/26/90/12/1417269012.db2.gz MTVYJBRAIDEUKJ-UHFFFAOYSA-N 1 1 379.508 3.389 20 30 GGEDMO C=CCCOCCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000135905691 1417277069 /nfs/dbraw/zinc/27/70/69/1417277069.db2.gz QXQGNHXZFINZLF-QAPCUYQASA-N 1 1 383.895 3.364 20 30 GGEDMO C[N@H+]1CC[C@@H](CNC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136473807 1417320262 /nfs/dbraw/zinc/32/02/62/1417320262.db2.gz MZPOSDFTDKSBSH-YJBOKZPZSA-N 1 1 378.879 3.417 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc([S@](C)=O)cc1 ZINC000178805271 1429175900 /nfs/dbraw/zinc/17/59/00/1429175900.db2.gz RZEDXUSMQHSOGC-SANMLTNESA-N 1 1 389.908 3.410 20 30 GGEDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000139962409 1417483168 /nfs/dbraw/zinc/48/31/68/1417483168.db2.gz NZODLCIJWBTIMA-SFHVURJKSA-N 1 1 379.508 3.152 20 30 GGEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000139978644 1417483760 /nfs/dbraw/zinc/48/37/60/1417483760.db2.gz JEJXREJZBXLAMR-GOSISDBHSA-N 1 1 377.492 3.047 20 30 GGEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000139978774 1417483851 /nfs/dbraw/zinc/48/38/51/1417483851.db2.gz JEJXREJZBXLAMR-SFHVURJKSA-N 1 1 377.492 3.047 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)CC[C@@H]21 ZINC000140081663 1417487746 /nfs/dbraw/zinc/48/77/46/1417487746.db2.gz UDEBQSPFUOTZKV-UEKLYDJUSA-N 1 1 396.535 3.374 20 30 GGEDMO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1Cc2ccccc2C1 ZINC000141179058 1417528145 /nfs/dbraw/zinc/52/81/45/1417528145.db2.gz UZSXZHPPUUQDEM-UHFFFAOYSA-N 1 1 386.417 3.272 20 30 GGEDMO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000141330037 1417533798 /nfs/dbraw/zinc/53/37/98/1417533798.db2.gz VEFLPHKPKFEGPD-NRFANRHFSA-N 1 1 375.472 3.448 20 30 GGEDMO C[C@@H](C#N)CN(C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000143178825 1417617111 /nfs/dbraw/zinc/61/71/11/1417617111.db2.gz DJBQTCXKGFAIMN-FQEVSTJZSA-N 1 1 390.531 3.012 20 30 GGEDMO C=CCc1cc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c(OC)c1 ZINC000178857644 1429198026 /nfs/dbraw/zinc/19/80/26/1429198026.db2.gz AUJRUXGMUMGZTP-UHFFFAOYSA-N 1 1 384.451 3.226 20 30 GGEDMO C=CCc1cc(OC)cc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c1O ZINC000178858296 1429199527 /nfs/dbraw/zinc/19/95/27/1429199527.db2.gz LTKHFCYHTYBDKD-UHFFFAOYSA-N 1 1 380.488 3.016 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000144709146 1417670082 /nfs/dbraw/zinc/67/00/82/1417670082.db2.gz ICXIHXHGSDKNRV-GOEBONIOSA-N 1 1 390.915 3.167 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000144709146 1417670098 /nfs/dbraw/zinc/67/00/98/1417670098.db2.gz ICXIHXHGSDKNRV-GOEBONIOSA-N 1 1 390.915 3.167 20 30 GGEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000144709312 1417670703 /nfs/dbraw/zinc/67/07/03/1417670703.db2.gz ICXIHXHGSDKNRV-HOCLYGCPSA-N 1 1 390.915 3.167 20 30 GGEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000144709312 1417670733 /nfs/dbraw/zinc/67/07/33/1417670733.db2.gz ICXIHXHGSDKNRV-HOCLYGCPSA-N 1 1 390.915 3.167 20 30 GGEDMO C=CCOc1cccc(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000145957546 1417705301 /nfs/dbraw/zinc/70/53/01/1417705301.db2.gz SZLAVLZJHHPWLZ-CALCHBBNSA-N 1 1 387.524 3.063 20 30 GGEDMO CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178875863 1429206953 /nfs/dbraw/zinc/20/69/53/1429206953.db2.gz PTVUYSKTPHNFOS-YADHBBJMSA-N 1 1 382.552 3.162 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000149921402 1417781634 /nfs/dbraw/zinc/78/16/34/1417781634.db2.gz CKETUUQQTCUILC-IBGZPJMESA-N 1 1 379.508 3.295 20 30 GGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000178884167 1429210129 /nfs/dbraw/zinc/21/01/29/1429210129.db2.gz FYBSGSXYUCADDH-INIZCTEOSA-N 1 1 376.497 3.476 20 30 GGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000178884209 1429210231 /nfs/dbraw/zinc/21/02/31/1429210231.db2.gz BWZIGXRPUKIJRN-OAHLLOKOSA-N 1 1 376.497 3.476 20 30 GGEDMO C=CCc1cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c(OC)c1 ZINC000178884178 1429210442 /nfs/dbraw/zinc/21/04/42/1429210442.db2.gz FYBSGSXYUCADDH-MRXNPFEDSA-N 1 1 376.497 3.476 20 30 GGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000178884195 1429210562 /nfs/dbraw/zinc/21/05/62/1429210562.db2.gz BWZIGXRPUKIJRN-HNNXBMFYSA-N 1 1 376.497 3.476 20 30 GGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000150875108 1417825908 /nfs/dbraw/zinc/82/59/08/1417825908.db2.gz SDDBKPDNPBKIPW-GOSISDBHSA-N 1 1 384.524 3.490 20 30 GGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000150888568 1417828589 /nfs/dbraw/zinc/82/85/89/1417828589.db2.gz BXYIBTCBGGSWKI-UHFFFAOYSA-N 1 1 389.565 3.492 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCC(=O)OC(C)(C)C ZINC000150937899 1417839885 /nfs/dbraw/zinc/83/98/85/1417839885.db2.gz FBUFARXKOFXWMF-UHFFFAOYSA-N 1 1 391.537 3.491 20 30 GGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1cc(I)cn1 ZINC000151428296 1417964186 /nfs/dbraw/zinc/96/41/86/1417964186.db2.gz IOGHIYJKJDOHTH-UHFFFAOYSA-N 1 1 380.233 3.227 20 30 GGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1cc(I)cn1 ZINC000151428296 1417964192 /nfs/dbraw/zinc/96/41/92/1417964192.db2.gz IOGHIYJKJDOHTH-UHFFFAOYSA-N 1 1 380.233 3.227 20 30 GGEDMO CC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151508595 1418007668 /nfs/dbraw/zinc/00/76/68/1418007668.db2.gz GPEJHPKFDTUMSM-PMACEKPBSA-N 1 1 399.441 3.246 20 30 GGEDMO CC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151508595 1418007677 /nfs/dbraw/zinc/00/76/77/1418007677.db2.gz GPEJHPKFDTUMSM-PMACEKPBSA-N 1 1 399.441 3.246 20 30 GGEDMO C[C@@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)c1ncc(C(C)(C)C)o1 ZINC000151521221 1418012440 /nfs/dbraw/zinc/01/24/40/1418012440.db2.gz QPNSDUIPIVPPHE-CQSZACIVSA-N 1 1 386.496 3.331 20 30 GGEDMO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CO[NH+]=C(N)C2CCOCC2)cc1 ZINC000151617376 1418040965 /nfs/dbraw/zinc/04/09/65/1418040965.db2.gz SAONBYAQAAESFP-LJQANCHMSA-N 1 1 387.524 3.363 20 30 GGEDMO C=C(Br)C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000151780340 1418085471 /nfs/dbraw/zinc/08/54/71/1418085471.db2.gz QAQQUCAHQLWBEZ-UHFFFAOYSA-N 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C=CCc1cc(C[N@H+](CC)CC(=O)NCc2ccc(F)cc2)cc(OC)c1O ZINC000179573414 1429443037 /nfs/dbraw/zinc/44/30/37/1429443037.db2.gz WKHDICLXSMLUAJ-UHFFFAOYSA-N 1 1 386.467 3.407 20 30 GGEDMO C=CCc1cc(C[N@@H+](CC)CC(=O)NCc2ccc(F)cc2)cc(OC)c1O ZINC000179573414 1429443044 /nfs/dbraw/zinc/44/30/44/1429443044.db2.gz WKHDICLXSMLUAJ-UHFFFAOYSA-N 1 1 386.467 3.407 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000152325300 1422072781 /nfs/dbraw/zinc/07/27/81/1422072781.db2.gz HEBZITXLYLMNMA-UHFFFAOYSA-N 1 1 380.398 3.056 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000152325300 1422072789 /nfs/dbraw/zinc/07/27/89/1422072789.db2.gz HEBZITXLYLMNMA-UHFFFAOYSA-N 1 1 380.398 3.056 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCSc3ccccn3)CC2)cc1 ZINC000152325728 1422073122 /nfs/dbraw/zinc/07/31/22/1422073122.db2.gz MIZXSXRJBRILQM-UHFFFAOYSA-N 1 1 380.517 3.170 20 30 GGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152399256 1422093113 /nfs/dbraw/zinc/09/31/13/1422093113.db2.gz PQYDWXIWEQFJNR-JKSUJKDBSA-N 1 1 388.581 3.489 20 30 GGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C[C@H]2CCC[N@@H+](C)C2)c1C#N ZINC000152479471 1422115118 /nfs/dbraw/zinc/11/51/18/1422115118.db2.gz FUWQFIYHZGIDMH-SFHVURJKSA-N 1 1 385.556 3.304 20 30 GGEDMO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152618136 1422168676 /nfs/dbraw/zinc/16/86/76/1422168676.db2.gz IHYQLENUEVTMEO-OAQYLSRUSA-N 1 1 394.560 3.152 20 30 GGEDMO CC[C@@H](C)Oc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000179748697 1429536713 /nfs/dbraw/zinc/53/67/13/1429536713.db2.gz DVBPXJMFQTYGQT-GOSISDBHSA-N 1 1 392.503 3.479 20 30 GGEDMO CC[C@@H](C)Oc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000179748697 1429536718 /nfs/dbraw/zinc/53/67/18/1429536718.db2.gz DVBPXJMFQTYGQT-GOSISDBHSA-N 1 1 392.503 3.479 20 30 GGEDMO COc1ccccc1COC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000179752020 1429539070 /nfs/dbraw/zinc/53/90/70/1429539070.db2.gz GMRKHIHJBBSLOM-SFHVURJKSA-N 1 1 399.535 3.407 20 30 GGEDMO COc1ccccc1COC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000179755750 1429541855 /nfs/dbraw/zinc/54/18/55/1429541855.db2.gz LKEPWPNGTZNOHU-UHFFFAOYSA-N 1 1 379.460 3.187 20 30 GGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000152969134 1422310905 /nfs/dbraw/zinc/31/09/05/1422310905.db2.gz ZLUNNRUDZKSXJA-SFHVURJKSA-N 1 1 393.597 3.408 20 30 GGEDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000153036638 1422334946 /nfs/dbraw/zinc/33/49/46/1422334946.db2.gz LZAGRSGUXBLVOR-GJZGRUSLSA-N 1 1 375.538 3.453 20 30 GGEDMO C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C[NH+]1CCOCC1 ZINC000153037724 1422335597 /nfs/dbraw/zinc/33/55/97/1422335597.db2.gz GUCCFIOSXKTZFT-KRWDZBQOSA-N 1 1 394.475 3.440 20 30 GGEDMO CN1CC[NH+](Cc2ccc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000153162879 1422377364 /nfs/dbraw/zinc/37/73/64/1422377364.db2.gz SXMYGYHDTNNDBN-JOCHJYFZSA-N 1 1 376.504 3.209 20 30 GGEDMO CCCOc1ccc2c(c1)CC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000153215363 1422396392 /nfs/dbraw/zinc/39/63/92/1422396392.db2.gz BLYKMBWPTCSPSF-OAQYLSRUSA-N 1 1 380.488 3.339 20 30 GGEDMO COc1ccc(C[C@H](C)C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000153281952 1422437743 /nfs/dbraw/zinc/43/77/43/1422437743.db2.gz SRIZNWKVWDJTQA-KRWDZBQOSA-N 1 1 386.517 3.151 20 30 GGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000153281952 1422437781 /nfs/dbraw/zinc/43/77/81/1422437781.db2.gz SRIZNWKVWDJTQA-KRWDZBQOSA-N 1 1 386.517 3.151 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153341141 1422479062 /nfs/dbraw/zinc/47/90/62/1422479062.db2.gz KWVSKNHAWAVJTI-SNVBAGLBSA-N 1 1 395.294 3.062 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153679845 1422699416 /nfs/dbraw/zinc/69/94/16/1422699416.db2.gz GBGPWRZKAXRZTB-AZUAARDMSA-N 1 1 397.519 3.201 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153679627 1422699534 /nfs/dbraw/zinc/69/95/34/1422699534.db2.gz GBGPWRZKAXRZTB-UYAOXDASSA-N 1 1 397.519 3.201 20 30 GGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153916717 1422810216 /nfs/dbraw/zinc/81/02/16/1422810216.db2.gz SNBNVDDWBUUILR-UZKOGDIHSA-N 1 1 381.520 3.437 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000153958598 1422816958 /nfs/dbraw/zinc/81/69/58/1422816958.db2.gz ZRCKTSURBKAGDQ-UHFFFAOYSA-N 1 1 387.530 3.216 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000153973402 1422819440 /nfs/dbraw/zinc/81/94/40/1422819440.db2.gz VEJPCTMPTZXFFF-HOTGVXAUSA-N 1 1 376.526 3.028 20 30 GGEDMO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCCSc2nccs2)CC1=O ZINC000154002582 1422823858 /nfs/dbraw/zinc/82/38/58/1422823858.db2.gz WIBAYQZCEBAQLL-UHFFFAOYSA-N 1 1 399.545 3.285 20 30 GGEDMO Cc1oc2nc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)nc(N)c2c1C ZINC000154241646 1422860708 /nfs/dbraw/zinc/86/07/08/1422860708.db2.gz UDRQVQKVBHHHBG-UHFFFAOYSA-N 1 1 390.491 3.001 20 30 GGEDMO NC(=[NH+]OCC(=O)Nc1ccnn1C1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000154477894 1422894235 /nfs/dbraw/zinc/89/42/35/1422894235.db2.gz KCMMPYZAKFZEOU-UHFFFAOYSA-N 1 1 385.512 3.442 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000154552397 1422924502 /nfs/dbraw/zinc/92/45/02/1422924502.db2.gz KAMHZNBENMBQQU-UHFFFAOYSA-N 1 1 379.460 3.111 20 30 GGEDMO Cc1oc(NC(=O)C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c(C#N)c1C ZINC000154612325 1422961152 /nfs/dbraw/zinc/96/11/52/1422961152.db2.gz ZSKBRZAWNSHSSR-HXUWFJFHSA-N 1 1 381.476 3.469 20 30 GGEDMO Cc1cccc(C)c1NCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000155107620 1423167753 /nfs/dbraw/zinc/16/77/53/1423167753.db2.gz JUQUCWULUMIKTK-UHFFFAOYSA-N 1 1 376.504 3.322 20 30 GGEDMO COc1cc(N[C@H]2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000155123200 1423181539 /nfs/dbraw/zinc/18/15/39/1423181539.db2.gz QJHHABNSQFQRDS-AVRDEDQJSA-N 1 1 381.476 3.185 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155290076 1423302253 /nfs/dbraw/zinc/30/22/53/1423302253.db2.gz FKDOUMJZSFORKJ-MRXNPFEDSA-N 1 1 383.414 3.039 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155290076 1423302264 /nfs/dbraw/zinc/30/22/64/1423302264.db2.gz FKDOUMJZSFORKJ-MRXNPFEDSA-N 1 1 383.414 3.039 20 30 GGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000155369885 1423336862 /nfs/dbraw/zinc/33/68/62/1423336862.db2.gz RSFYGQMBFQRDCS-AWEZNQCLSA-N 1 1 390.915 3.167 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000155433789 1423361442 /nfs/dbraw/zinc/36/14/42/1423361442.db2.gz KVAHAKCWMKLZJM-QFIPXVFZSA-N 1 1 375.472 3.148 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1C#N ZINC000155493378 1423385656 /nfs/dbraw/zinc/38/56/56/1423385656.db2.gz TZLONOHLFZDXRX-WIYYLYMNSA-N 1 1 392.503 3.405 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1C#N ZINC000155493378 1423385667 /nfs/dbraw/zinc/38/56/67/1423385667.db2.gz TZLONOHLFZDXRX-WIYYLYMNSA-N 1 1 392.503 3.405 20 30 GGEDMO CN1CCC([N@@H+](CCO)Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000155495410 1423386535 /nfs/dbraw/zinc/38/65/35/1423386535.db2.gz CRZRSQAMIFXAOD-UHFFFAOYSA-N 1 1 379.504 3.026 20 30 GGEDMO C[NH+]1CCC(N(CCO)Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000155495410 1423386538 /nfs/dbraw/zinc/38/65/38/1423386538.db2.gz CRZRSQAMIFXAOD-UHFFFAOYSA-N 1 1 379.504 3.026 20 30 GGEDMO Cn1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179914419 1429637704 /nfs/dbraw/zinc/63/77/04/1429637704.db2.gz SPJAECPYQGZSFL-UHFFFAOYSA-N 1 1 382.471 3.153 20 30 GGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000155513866 1423394946 /nfs/dbraw/zinc/39/49/46/1423394946.db2.gz NAUOLMPOSKYHGR-UHFFFAOYSA-N 1 1 394.475 3.246 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000155576720 1423427394 /nfs/dbraw/zinc/42/73/94/1423427394.db2.gz RNYUFLVLOQATIA-AWEZNQCLSA-N 1 1 378.867 3.261 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000155576720 1423427400 /nfs/dbraw/zinc/42/74/00/1423427400.db2.gz RNYUFLVLOQATIA-AWEZNQCLSA-N 1 1 378.867 3.261 20 30 GGEDMO CC(C)(C)c1nc(CN2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cs1 ZINC000155615887 1423446898 /nfs/dbraw/zinc/44/68/98/1423446898.db2.gz AOHIUOCNGXFDRE-LJQANCHMSA-N 1 1 384.549 3.163 20 30 GGEDMO CC(C)(C)c1nc(CN2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cs1 ZINC000155615762 1423447351 /nfs/dbraw/zinc/44/73/51/1423447351.db2.gz AOHIUOCNGXFDRE-IBGZPJMESA-N 1 1 384.549 3.163 20 30 GGEDMO Cn1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C(C)(C)C)n1 ZINC000179928175 1429646191 /nfs/dbraw/zinc/64/61/91/1429646191.db2.gz YVRNSESKIWHLMR-UHFFFAOYSA-N 1 1 388.519 3.460 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000155720514 1423502890 /nfs/dbraw/zinc/50/28/90/1423502890.db2.gz UPBQHTVBFVBZTB-CQSZACIVSA-N 1 1 391.397 3.000 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000155720514 1423502903 /nfs/dbraw/zinc/50/29/03/1423502903.db2.gz UPBQHTVBFVBZTB-CQSZACIVSA-N 1 1 391.397 3.000 20 30 GGEDMO N#Cc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1Cl ZINC000155721306 1423504106 /nfs/dbraw/zinc/50/41/06/1423504106.db2.gz BRWBTULNKCUMOY-KRWDZBQOSA-N 1 1 396.878 3.161 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000156002992 1423629230 /nfs/dbraw/zinc/62/92/30/1423629230.db2.gz XRJRPDTUCJNRKC-HXUWFJFHSA-N 1 1 383.879 3.423 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000156002861 1423629521 /nfs/dbraw/zinc/62/95/21/1423629521.db2.gz XRJRPDTUCJNRKC-FQEVSTJZSA-N 1 1 383.879 3.423 20 30 GGEDMO COc1cccc(OCC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000156026052 1423640013 /nfs/dbraw/zinc/64/00/13/1423640013.db2.gz BZVZEHKLIMNVEJ-UHFFFAOYSA-N 1 1 394.431 3.016 20 30 GGEDMO CC[C@@H](NC(=O)NCc1cccc(C#N)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156124190 1423683474 /nfs/dbraw/zinc/68/34/74/1423683474.db2.gz RCVVGFNIDDQGRL-YADHBBJMSA-N 1 1 392.503 3.037 20 30 GGEDMO CC[C@@H](NC(=O)NCc1cccc(C#N)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156124190 1423683480 /nfs/dbraw/zinc/68/34/80/1423683480.db2.gz RCVVGFNIDDQGRL-YADHBBJMSA-N 1 1 392.503 3.037 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)CC2CCOCC2)c1C#N ZINC000156163915 1423702033 /nfs/dbraw/zinc/70/20/33/1423702033.db2.gz WYNWIPJPDOLPPA-UHFFFAOYSA-N 1 1 380.492 3.263 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCC(CO)CC1 ZINC000156257301 1423745596 /nfs/dbraw/zinc/74/55/96/1423745596.db2.gz UJEBAKGOFHRRKO-UHFFFAOYSA-N 1 1 375.538 3.310 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000156402193 1423806054 /nfs/dbraw/zinc/80/60/54/1423806054.db2.gz XVSDFJFLRIWKIY-OAQYLSRUSA-N 1 1 378.476 3.098 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000156402193 1423806056 /nfs/dbraw/zinc/80/60/56/1423806056.db2.gz XVSDFJFLRIWKIY-OAQYLSRUSA-N 1 1 378.476 3.098 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000179984333 1429675085 /nfs/dbraw/zinc/67/50/85/1429675085.db2.gz OGXRSWVMFDYAJR-UHFFFAOYSA-N 1 1 376.428 3.279 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)nc1 ZINC000179987010 1429676363 /nfs/dbraw/zinc/67/63/63/1429676363.db2.gz HUUNKNJYNRGSNJ-UHFFFAOYSA-N 1 1 389.415 3.444 20 30 GGEDMO C=C(C)COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000179988995 1429677310 /nfs/dbraw/zinc/67/73/10/1429677310.db2.gz SQNCWOHVAXFANA-UHFFFAOYSA-N 1 1 378.476 3.239 20 30 GGEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1O ZINC000156923277 1423886464 /nfs/dbraw/zinc/88/64/64/1423886464.db2.gz WJUNPMACYVSQGH-GFCCVEGCSA-N 1 1 385.489 3.282 20 30 GGEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)ccc1O ZINC000156923277 1423886466 /nfs/dbraw/zinc/88/64/66/1423886466.db2.gz WJUNPMACYVSQGH-GFCCVEGCSA-N 1 1 385.489 3.282 20 30 GGEDMO Cc1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1C#N ZINC000156928845 1423887794 /nfs/dbraw/zinc/88/77/94/1423887794.db2.gz JMMRDJYEZPEFRQ-MRXNPFEDSA-N 1 1 389.546 3.119 20 30 GGEDMO C[C@H]1C[C@@H](N(C)CC(=O)NC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157003185 1423899907 /nfs/dbraw/zinc/89/99/07/1423899907.db2.gz YWGVMSJVCWWXEC-FPOVZHCZSA-N 1 1 382.552 3.314 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)CC(=O)NC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157003018 1423900065 /nfs/dbraw/zinc/90/00/65/1423900065.db2.gz YWGVMSJVCWWXEC-CTNGQTDRSA-N 1 1 382.552 3.314 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1)C1CC1 ZINC000157049193 1423910740 /nfs/dbraw/zinc/91/07/40/1423910740.db2.gz UISJRIDTWRLMIB-MGPUTAFESA-N 1 1 375.900 3.239 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1)C1CC1 ZINC000157049193 1423910746 /nfs/dbraw/zinc/91/07/46/1423910746.db2.gz UISJRIDTWRLMIB-MGPUTAFESA-N 1 1 375.900 3.239 20 30 GGEDMO C[C@H]1C[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000157062561 1423914193 /nfs/dbraw/zinc/91/41/93/1423914193.db2.gz QOPKYDHEPJJRFB-AVRDEDQJSA-N 1 1 376.504 3.482 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000157062400 1423914287 /nfs/dbraw/zinc/91/42/87/1423914287.db2.gz QOPKYDHEPJJRFB-GCJKJVERSA-N 1 1 376.504 3.482 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157090126 1423922502 /nfs/dbraw/zinc/92/25/02/1423922502.db2.gz GDJXZIWVWUDMNO-KRWDZBQOSA-N 1 1 388.899 3.087 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157090126 1423922510 /nfs/dbraw/zinc/92/25/10/1423922510.db2.gz GDJXZIWVWUDMNO-KRWDZBQOSA-N 1 1 388.899 3.087 20 30 GGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000157321058 1423983975 /nfs/dbraw/zinc/98/39/75/1423983975.db2.gz YHABEIQFQXWWIV-QFIPXVFZSA-N 1 1 392.522 3.106 20 30 GGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000157321058 1423983979 /nfs/dbraw/zinc/98/39/79/1423983979.db2.gz YHABEIQFQXWWIV-QFIPXVFZSA-N 1 1 392.522 3.106 20 30 GGEDMO NC(=O)CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000157366625 1423995717 /nfs/dbraw/zinc/99/57/17/1423995717.db2.gz GINVXLVEHYIXAN-UHFFFAOYSA-N 1 1 376.378 3.314 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180015512 1429692894 /nfs/dbraw/zinc/69/28/94/1429692894.db2.gz TUGIDIRTIMLFDH-KRWDZBQOSA-N 1 1 395.507 3.305 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000157812281 1424094116 /nfs/dbraw/zinc/09/41/16/1424094116.db2.gz IPFGMSCBBMNLNA-IERDGZPVSA-N 1 1 379.460 3.108 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000157812281 1424094120 /nfs/dbraw/zinc/09/41/20/1424094120.db2.gz IPFGMSCBBMNLNA-IERDGZPVSA-N 1 1 379.460 3.108 20 30 GGEDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000157835747 1424099250 /nfs/dbraw/zinc/09/92/50/1424099250.db2.gz PERWJDLTNAGNJS-FXAWDEMLSA-N 1 1 383.517 3.232 20 30 GGEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158059312 1424153071 /nfs/dbraw/zinc/15/30/71/1424153071.db2.gz GGSFICNDWWOSMX-QGZVFWFLSA-N 1 1 382.426 3.421 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000158142376 1424177939 /nfs/dbraw/zinc/17/79/39/1424177939.db2.gz FBOPZKVEDFYCFX-MRXNPFEDSA-N 1 1 395.286 3.099 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000158204430 1424194813 /nfs/dbraw/zinc/19/48/13/1424194813.db2.gz PKYUXOJTWDOUJR-HRAATJIYSA-N 1 1 394.475 3.500 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000158204430 1424194816 /nfs/dbraw/zinc/19/48/16/1424194816.db2.gz PKYUXOJTWDOUJR-HRAATJIYSA-N 1 1 394.475 3.500 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000180035899 1429706452 /nfs/dbraw/zinc/70/64/52/1429706452.db2.gz RNJNPKMUPMHOPW-MLHJIOFPSA-N 1 1 386.496 3.083 20 30 GGEDMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1CC(C)C ZINC000158257429 1424210932 /nfs/dbraw/zinc/21/09/32/1424210932.db2.gz PIVGZFLYMRNJPV-UHFFFAOYSA-N 1 1 379.508 3.067 20 30 GGEDMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1CC(C)C ZINC000158257429 1424210938 /nfs/dbraw/zinc/21/09/38/1424210938.db2.gz PIVGZFLYMRNJPV-UHFFFAOYSA-N 1 1 379.508 3.067 20 30 GGEDMO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)[nH]1 ZINC000158496191 1424272528 /nfs/dbraw/zinc/27/25/28/1424272528.db2.gz UJHJPWWEYROTGQ-IBGZPJMESA-N 1 1 376.485 3.477 20 30 GGEDMO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)[nH]1 ZINC000158496191 1424272534 /nfs/dbraw/zinc/27/25/34/1424272534.db2.gz UJHJPWWEYROTGQ-IBGZPJMESA-N 1 1 376.485 3.477 20 30 GGEDMO Cc1cc(N2CCC(NC(=O)Nc3ccccc3O[C@H](C)C#N)CC2)nc(C)[nH+]1 ZINC000180049184 1429713403 /nfs/dbraw/zinc/71/34/03/1429713403.db2.gz CBOHGIQYSHMCAV-OAHLLOKOSA-N 1 1 394.479 3.175 20 30 GGEDMO CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000158917877 1424372204 /nfs/dbraw/zinc/37/22/04/1424372204.db2.gz UTEXCLZXRJICAX-VXKWHMMOSA-N 1 1 397.567 3.037 20 30 GGEDMO CSc1nc(C2CC2)cc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c1C#N ZINC000158996061 1424390959 /nfs/dbraw/zinc/39/09/59/1424390959.db2.gz JCHLHCJEPRMDQR-UHFFFAOYSA-N 1 1 393.516 3.218 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159048851 1424404468 /nfs/dbraw/zinc/40/44/68/1424404468.db2.gz JOWHXQDJUMQZKR-DXIQSLLYSA-N 1 1 376.589 3.406 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159048851 1424404476 /nfs/dbraw/zinc/40/44/76/1424404476.db2.gz JOWHXQDJUMQZKR-DXIQSLLYSA-N 1 1 376.589 3.406 20 30 GGEDMO C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000159242538 1424456250 /nfs/dbraw/zinc/45/62/50/1424456250.db2.gz SOVMAUCETYKDIT-FOIQADDNSA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000159242538 1424456256 /nfs/dbraw/zinc/45/62/56/1424456256.db2.gz SOVMAUCETYKDIT-FOIQADDNSA-N 1 1 380.448 3.191 20 30 GGEDMO N#Cc1ccc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)[nH]1 ZINC000159258982 1424462434 /nfs/dbraw/zinc/46/24/34/1424462434.db2.gz OTHPGSHWCLVAIA-MRXNPFEDSA-N 1 1 390.409 3.413 20 30 GGEDMO N#Cc1ccc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)[nH]1 ZINC000159258846 1424462907 /nfs/dbraw/zinc/46/29/07/1424462907.db2.gz OTHPGSHWCLVAIA-INIZCTEOSA-N 1 1 390.409 3.413 20 30 GGEDMO C[NH+]1CCN([C@@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000159290360 1424474526 /nfs/dbraw/zinc/47/45/26/1424474526.db2.gz BEICBDDMLPGYKQ-VQTJNVASSA-N 1 1 382.895 3.010 20 30 GGEDMO C[NH+]1CCN([C@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000159290505 1424474598 /nfs/dbraw/zinc/47/45/98/1424474598.db2.gz BEICBDDMLPGYKQ-UXHICEINSA-N 1 1 382.895 3.010 20 30 GGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159786192 1424535209 /nfs/dbraw/zinc/53/52/09/1424535209.db2.gz MNEDKTDTULZVLY-KEYYUXOJSA-N 1 1 375.538 3.308 20 30 GGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000159779427 1424535238 /nfs/dbraw/zinc/53/52/38/1424535238.db2.gz HHSKZKAGIVBXTN-UHFFFAOYSA-N 1 1 399.457 3.028 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000159786889 1424536973 /nfs/dbraw/zinc/53/69/73/1424536973.db2.gz GSVWOPZLRYFSIE-JXFKEZNVSA-N 1 1 398.482 3.136 20 30 GGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000159807188 1424537888 /nfs/dbraw/zinc/53/78/88/1424537888.db2.gz LMEAALUZNHNURL-UHFFFAOYSA-N 1 1 399.457 3.028 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000159944620 1424554537 /nfs/dbraw/zinc/55/45/37/1424554537.db2.gz OZQDQUCRLXSXLD-LAUBAEHRSA-N 1 1 392.503 3.387 20 30 GGEDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000159999506 1424560517 /nfs/dbraw/zinc/56/05/17/1424560517.db2.gz SNGHMFRSONTZBG-FXAWDEMLSA-N 1 1 383.517 3.232 20 30 GGEDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000159999387 1424560637 /nfs/dbraw/zinc/56/06/37/1424560637.db2.gz SNGHMFRSONTZBG-YLJYHZDGSA-N 1 1 383.517 3.232 20 30 GGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000160049290 1424566431 /nfs/dbraw/zinc/56/64/31/1424566431.db2.gz FKIHWPLROZWMFW-GOSISDBHSA-N 1 1 386.540 3.399 20 30 GGEDMO Cc1c(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000160174418 1424583736 /nfs/dbraw/zinc/58/37/36/1424583736.db2.gz UVECFBAYSXNYCZ-UHFFFAOYSA-N 1 1 392.459 3.052 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000160205242 1424587004 /nfs/dbraw/zinc/58/70/04/1424587004.db2.gz BIFPNNCLBFEVPT-XOBRGWDASA-N 1 1 398.438 3.330 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000160205242 1424587013 /nfs/dbraw/zinc/58/70/13/1424587013.db2.gz BIFPNNCLBFEVPT-XOBRGWDASA-N 1 1 398.438 3.330 20 30 GGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000160401547 1424601010 /nfs/dbraw/zinc/60/10/10/1424601010.db2.gz OYVKVRHYDWMBAE-UHFFFAOYSA-N 1 1 377.488 3.450 20 30 GGEDMO Cc1ccc(F)c(OCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000160398229 1424601426 /nfs/dbraw/zinc/60/14/26/1424601426.db2.gz KIOHCMLHZIMMMK-UHFFFAOYSA-N 1 1 381.451 3.119 20 30 GGEDMO Cc1ccc(F)c(OCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000160398229 1424601431 /nfs/dbraw/zinc/60/14/31/1424601431.db2.gz KIOHCMLHZIMMMK-UHFFFAOYSA-N 1 1 381.451 3.119 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000160605737 1424618388 /nfs/dbraw/zinc/61/83/88/1424618388.db2.gz JPURETNOISXHAG-SSDOTTSWSA-N 1 1 392.271 3.219 20 30 GGEDMO Cn1cc[nH+]c1CC1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000160673103 1424625790 /nfs/dbraw/zinc/62/57/90/1424625790.db2.gz BSIYHZMMIWLCFA-UHFFFAOYSA-N 1 1 376.420 3.207 20 30 GGEDMO C=C(C)COc1cc(C[N@@H+](CCCC)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160793917 1424635551 /nfs/dbraw/zinc/63/55/51/1424635551.db2.gz ORHUEELUTQTKFR-SFHVURJKSA-N 1 1 381.538 3.439 20 30 GGEDMO C=C(C)COc1cc(C[N@H+](CCCC)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160793917 1424635555 /nfs/dbraw/zinc/63/55/55/1424635555.db2.gz ORHUEELUTQTKFR-SFHVURJKSA-N 1 1 381.538 3.439 20 30 GGEDMO Cc1ccc(C#N)c(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)n1 ZINC000161157928 1424663533 /nfs/dbraw/zinc/66/35/33/1424663533.db2.gz KDRMSGRAJMQZTG-UHFFFAOYSA-N 1 1 380.492 3.363 20 30 GGEDMO CC(C)n1cc(C#N)c(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000161191052 1424665751 /nfs/dbraw/zinc/66/57/51/1424665751.db2.gz MNSRXLHSMCMNRR-HOTGVXAUSA-N 1 1 381.480 3.197 20 30 GGEDMO C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000161341118 1424679300 /nfs/dbraw/zinc/67/93/00/1424679300.db2.gz SQBMHMYUSPEDIE-GOSISDBHSA-N 1 1 393.462 3.039 20 30 GGEDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)CNc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000161381901 1424684418 /nfs/dbraw/zinc/68/44/18/1424684418.db2.gz NTIWJQUOOQVIMM-IRXDYDNUSA-N 1 1 378.476 3.218 20 30 GGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000161727467 1424751585 /nfs/dbraw/zinc/75/15/85/1424751585.db2.gz DMPBJUMVWKEGAT-KRWDZBQOSA-N 1 1 381.476 3.438 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180132366 1429751538 /nfs/dbraw/zinc/75/15/38/1429751538.db2.gz QLXYNFFMONOLJA-SFHVURJKSA-N 1 1 393.535 3.333 20 30 GGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000161960073 1424803512 /nfs/dbraw/zinc/80/35/12/1424803512.db2.gz GXOAEGPTRDSFOS-SFHVURJKSA-N 1 1 381.476 3.438 20 30 GGEDMO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000162002210 1424807691 /nfs/dbraw/zinc/80/76/91/1424807691.db2.gz VQKBIVJEOWOTER-OAHLLOKOSA-N 1 1 377.510 3.230 20 30 GGEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000162002210 1424807694 /nfs/dbraw/zinc/80/76/94/1424807694.db2.gz VQKBIVJEOWOTER-OAHLLOKOSA-N 1 1 377.510 3.230 20 30 GGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000162562816 1424866449 /nfs/dbraw/zinc/86/64/49/1424866449.db2.gz LXTDRAMQMRPJRZ-OAHLLOKOSA-N 1 1 381.517 3.017 20 30 GGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000162562900 1424866638 /nfs/dbraw/zinc/86/66/38/1424866638.db2.gz LXTDRAMQMRPJRZ-HNNXBMFYSA-N 1 1 381.517 3.017 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000162809545 1424892413 /nfs/dbraw/zinc/89/24/13/1424892413.db2.gz YLDREGUWPVGHBB-AEFFLSMTSA-N 1 1 393.528 3.114 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000162980572 1424916790 /nfs/dbraw/zinc/91/67/90/1424916790.db2.gz GDQFBHIMOWAYIL-APWZRJJASA-N 1 1 399.560 3.379 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000162980572 1424916795 /nfs/dbraw/zinc/91/67/95/1424916795.db2.gz GDQFBHIMOWAYIL-APWZRJJASA-N 1 1 399.560 3.379 20 30 GGEDMO Cn1cc(CNCc2ccccc2OCC[NH+](C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180155817 1429768448 /nfs/dbraw/zinc/76/84/48/1429768448.db2.gz SOTHMCNZXRTLEQ-UHFFFAOYSA-N 1 1 389.503 3.189 20 30 GGEDMO C=CCc1cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c(O)c(OC)c1 ZINC000163940032 1425060786 /nfs/dbraw/zinc/06/07/86/1425060786.db2.gz VVUOBPWXCPRHTH-UHFFFAOYSA-N 1 1 384.451 3.226 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000164073944 1425073885 /nfs/dbraw/zinc/07/38/85/1425073885.db2.gz KISOQSTZKHIABL-KXBFYZLASA-N 1 1 382.439 3.370 20 30 GGEDMO C[C@@H](CCNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@@H+](C)Cc1ccccc1 ZINC000164129728 1425080148 /nfs/dbraw/zinc/08/01/48/1425080148.db2.gz IDHCIZPCFKXUKQ-INIZCTEOSA-N 1 1 389.496 3.027 20 30 GGEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCCN(c3nc(CC)ns3)CC2)c1O ZINC000164432865 1425111432 /nfs/dbraw/zinc/11/14/32/1425111432.db2.gz QXPBAGHUTBANHC-UHFFFAOYSA-N 1 1 388.537 3.256 20 30 GGEDMO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1=S ZINC000164664447 1425133591 /nfs/dbraw/zinc/13/35/91/1425133591.db2.gz DNTRVTBZBFAZCO-RTBURBONSA-N 1 1 398.580 3.426 20 30 GGEDMO C=CCn1c(-c2ccccn2)nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1=S ZINC000164666682 1425133772 /nfs/dbraw/zinc/13/37/72/1425133772.db2.gz AFGFAAMUXPUMOO-AEFFLSMTSA-N 1 1 384.553 3.036 20 30 GGEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CC1 ZINC000164954508 1425153356 /nfs/dbraw/zinc/15/33/56/1425153356.db2.gz SUUIBPRMAPDAHB-UHFFFAOYSA-N 1 1 398.482 3.213 20 30 GGEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CC1 ZINC000164954508 1425153365 /nfs/dbraw/zinc/15/33/65/1425153365.db2.gz SUUIBPRMAPDAHB-UHFFFAOYSA-N 1 1 398.482 3.213 20 30 GGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000165466846 1425181215 /nfs/dbraw/zinc/18/12/15/1425181215.db2.gz QCLOOSITHFFVEI-UHFFFAOYSA-N 1 1 389.496 3.027 20 30 GGEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000170652716 1425278303 /nfs/dbraw/zinc/27/83/03/1425278303.db2.gz YDYXXVALKXJVOL-GOSISDBHSA-N 1 1 386.496 3.218 20 30 GGEDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000170652718 1425278431 /nfs/dbraw/zinc/27/84/31/1425278431.db2.gz YDYXXVALKXJVOL-SFHVURJKSA-N 1 1 386.496 3.218 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1)C(=O)OC(C)(C)C ZINC000170918714 1425393000 /nfs/dbraw/zinc/39/30/00/1425393000.db2.gz WIVOEXIPTFRAFR-CQSZACIVSA-N 1 1 392.525 3.137 20 30 GGEDMO C[N@@H+](Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)nc1)C1CCCCC1 ZINC000171071860 1425468450 /nfs/dbraw/zinc/46/84/50/1425468450.db2.gz JWOSUDKELBIBQD-UHFFFAOYSA-N 1 1 398.532 3.196 20 30 GGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000171112997 1425489790 /nfs/dbraw/zinc/48/97/90/1425489790.db2.gz RMQINZAZAYROFX-KRWDZBQOSA-N 1 1 390.487 3.301 20 30 GGEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(OC)c(O)c1 ZINC000171135200 1425499436 /nfs/dbraw/zinc/49/94/36/1425499436.db2.gz HGDGHBHNBHZXJA-UHFFFAOYSA-N 1 1 376.250 3.465 20 30 GGEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C)O1 ZINC000171141806 1425504921 /nfs/dbraw/zinc/50/49/21/1425504921.db2.gz ZYTLRLWJNBQLBF-GJZGRUSLSA-N 1 1 375.517 3.124 20 30 GGEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000171149109 1425509552 /nfs/dbraw/zinc/50/95/52/1425509552.db2.gz XGVLMZLQJSBMKB-UHFFFAOYSA-N 1 1 395.507 3.269 20 30 GGEDMO Cc1oc(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000171225707 1425549515 /nfs/dbraw/zinc/54/95/15/1425549515.db2.gz PGQGNWAOKQZENB-KRWDZBQOSA-N 1 1 380.492 3.303 20 30 GGEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@@H](C)O1 ZINC000171298798 1425602339 /nfs/dbraw/zinc/60/23/39/1425602339.db2.gz SQWFWRSNGQVBQG-IAGOWNOFSA-N 1 1 384.524 3.120 20 30 GGEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@H](C)O1 ZINC000171298793 1425602471 /nfs/dbraw/zinc/60/24/71/1425602471.db2.gz SQWFWRSNGQVBQG-IRXDYDNUSA-N 1 1 384.524 3.120 20 30 GGEDMO CCC(CC)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[NH+]1CCOCC1 ZINC000171300239 1425603473 /nfs/dbraw/zinc/60/34/73/1425603473.db2.gz YFITVSXHGUAFDO-JOCHJYFZSA-N 1 1 398.551 3.369 20 30 GGEDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)c1 ZINC000171588885 1425750218 /nfs/dbraw/zinc/75/02/18/1425750218.db2.gz WDVNJTGLUKSLJT-SFHVURJKSA-N 1 1 377.488 3.405 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171620303 1425760691 /nfs/dbraw/zinc/76/06/91/1425760691.db2.gz KOHASBSOEXVIKO-SJORKVTESA-N 1 1 399.564 3.069 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171620303 1425760694 /nfs/dbraw/zinc/76/06/94/1425760694.db2.gz KOHASBSOEXVIKO-SJORKVTESA-N 1 1 399.564 3.069 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000171631709 1425766057 /nfs/dbraw/zinc/76/60/57/1425766057.db2.gz GCRSCGHCMLASDB-CYBMUJFWSA-N 1 1 385.493 3.008 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000171668357 1425782834 /nfs/dbraw/zinc/78/28/34/1425782834.db2.gz UNOWHVFCWBIJIY-NRFANRHFSA-N 1 1 378.451 3.379 20 30 GGEDMO CC1(C)CN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000171684025 1425788636 /nfs/dbraw/zinc/78/86/36/1425788636.db2.gz YWPANLQCNDJJQE-UHFFFAOYSA-N 1 1 392.503 3.395 20 30 GGEDMO CN(CC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000171707599 1425797825 /nfs/dbraw/zinc/79/78/25/1425797825.db2.gz SGHQSLCEFAIRQT-UHFFFAOYSA-N 1 1 386.496 3.076 20 30 GGEDMO C=CC[NH+]1CCC(NC(=O)c2ccccc2CS(=O)(=O)c2ccccc2)CC1 ZINC000171716584 1425801666 /nfs/dbraw/zinc/80/16/66/1425801666.db2.gz JGMPNQJUUGBAJB-UHFFFAOYSA-N 1 1 398.528 3.041 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000171846938 1425834259 /nfs/dbraw/zinc/83/42/59/1425834259.db2.gz IEVBMVRZUHUHTJ-GOSISDBHSA-N 1 1 378.476 3.005 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000171846938 1425834265 /nfs/dbraw/zinc/83/42/65/1425834265.db2.gz IEVBMVRZUHUHTJ-GOSISDBHSA-N 1 1 378.476 3.005 20 30 GGEDMO C[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000171863762 1425838156 /nfs/dbraw/zinc/83/81/56/1425838156.db2.gz BQNMLTNXNBGRDL-LJQANCHMSA-N 1 1 388.515 3.044 20 30 GGEDMO C[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000171863762 1425838157 /nfs/dbraw/zinc/83/81/57/1425838157.db2.gz BQNMLTNXNBGRDL-LJQANCHMSA-N 1 1 388.515 3.044 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OCC)[C@H](C)C1 ZINC000172112642 1425899391 /nfs/dbraw/zinc/89/93/91/1425899391.db2.gz MWEOGVSFJBRQOM-SJLPKXTDSA-N 1 1 388.512 3.215 20 30 GGEDMO COc1cc(/C=C/C(=O)N2CCC[N@H+](C3CCCC3)CC2)ccc1OCC#N ZINC000172423818 1426038013 /nfs/dbraw/zinc/03/80/13/1426038013.db2.gz PSTYHLONXFLZTK-CSKARUKUSA-N 1 1 383.492 3.088 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000172478350 1426054275 /nfs/dbraw/zinc/05/42/75/1426054275.db2.gz OIHXDVFYFVYLGI-UHFFFAOYSA-N 1 1 377.492 3.153 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172580703 1426097168 /nfs/dbraw/zinc/09/71/68/1426097168.db2.gz YQCJBMSACFEGBA-GOSISDBHSA-N 1 1 386.515 3.411 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)CN2CCC[N@H+](C3CCCC3)CC2)c(OC)c1 ZINC000172585081 1426099601 /nfs/dbraw/zinc/09/96/01/1426099601.db2.gz PMYONIWLRMYNLV-OAQYLSRUSA-N 1 1 388.552 3.114 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000172674263 1426137482 /nfs/dbraw/zinc/13/74/82/1426137482.db2.gz YMBFIZUYKGHJIQ-KRWDZBQOSA-N 1 1 389.546 3.119 20 30 GGEDMO COc1ccccc1-c1nnc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000172752858 1426173861 /nfs/dbraw/zinc/17/38/61/1426173861.db2.gz WVBHHQDWZBECHQ-UHFFFAOYSA-N 1 1 389.459 3.329 20 30 GGEDMO COc1ccccc1-c1nnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000172752858 1426173871 /nfs/dbraw/zinc/17/38/71/1426173871.db2.gz WVBHHQDWZBECHQ-UHFFFAOYSA-N 1 1 389.459 3.329 20 30 GGEDMO COCCC[N@@H+](C)CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000173085216 1426336189 /nfs/dbraw/zinc/33/61/89/1426336189.db2.gz HUGAWPKNXPWEHE-UHFFFAOYSA-N 1 1 382.464 3.440 20 30 GGEDMO C[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)CN1CC[NH+](C)CC1 ZINC000173121937 1426351588 /nfs/dbraw/zinc/35/15/88/1426351588.db2.gz OXZNOJZVJASGAN-SJORKVTESA-N 1 1 389.569 3.086 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000173222663 1426404957 /nfs/dbraw/zinc/40/49/57/1426404957.db2.gz BJGJFKJKFXPBIJ-FQEVSTJZSA-N 1 1 383.517 3.091 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000173223320 1426406707 /nfs/dbraw/zinc/40/67/07/1426406707.db2.gz KMWXPVBEMCJQRT-HXUWFJFHSA-N 1 1 383.517 3.091 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C2CC2)cc1 ZINC000173260684 1426439548 /nfs/dbraw/zinc/43/95/48/1426439548.db2.gz JVAILOVXHPRKNR-UHFFFAOYSA-N 1 1 390.512 3.491 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)NCCc2nc3ccccc3s2)C2CC2)cc1 ZINC000173260684 1426439551 /nfs/dbraw/zinc/43/95/51/1426439551.db2.gz JVAILOVXHPRKNR-UHFFFAOYSA-N 1 1 390.512 3.491 20 30 GGEDMO N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173284094 1426462532 /nfs/dbraw/zinc/46/25/32/1426462532.db2.gz MBLQWUAQKNMDQX-FQEVSTJZSA-N 1 1 396.535 3.094 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000173322975 1426505423 /nfs/dbraw/zinc/50/54/23/1426505423.db2.gz VAFFRVPHDAWCAK-APWZRJJASA-N 1 1 389.546 3.290 20 30 GGEDMO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000173333392 1426514237 /nfs/dbraw/zinc/51/42/37/1426514237.db2.gz FUDAJPMBWPQBMX-UHFFFAOYSA-N 1 1 388.475 3.300 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(CCC#N)n1 ZINC000173353502 1426529728 /nfs/dbraw/zinc/52/97/28/1426529728.db2.gz XSIIPBGDTMKXIU-IBGZPJMESA-N 1 1 380.496 3.173 20 30 GGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000173387386 1426565527 /nfs/dbraw/zinc/56/55/27/1426565527.db2.gz JXRTZTYPUWBEQD-IBGZPJMESA-N 1 1 381.501 3.223 20 30 GGEDMO N#CCSc1ccccc1NC(=O)C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000173387386 1426565536 /nfs/dbraw/zinc/56/55/36/1426565536.db2.gz JXRTZTYPUWBEQD-IBGZPJMESA-N 1 1 381.501 3.223 20 30 GGEDMO C=CCn1c(C)nn(C[N@H+](CC)CC2CCN(c3ccccn3)CC2)c1=S ZINC000173512558 1426682833 /nfs/dbraw/zinc/68/28/33/1426682833.db2.gz FEOFASHGFYKKNM-UHFFFAOYSA-N 1 1 386.569 3.500 20 30 GGEDMO C=CCn1c(C)nn(C[N@@H+](CC)CC2CCN(c3ccccn3)CC2)c1=S ZINC000173512558 1426682844 /nfs/dbraw/zinc/68/28/44/1426682844.db2.gz FEOFASHGFYKKNM-UHFFFAOYSA-N 1 1 386.569 3.500 20 30 GGEDMO C=CCn1c2ccccc2n(C[N@@H+](CCC(=O)OC)C2CCOCC2)c1=S ZINC000173534114 1426709931 /nfs/dbraw/zinc/70/99/31/1426709931.db2.gz DJNFIEOUQQLFBP-UHFFFAOYSA-N 1 1 389.521 3.360 20 30 GGEDMO C=CCn1c2ccccc2n(C[N@H+](CCC(=O)OC)C2CCOCC2)c1=S ZINC000173534114 1426709943 /nfs/dbraw/zinc/70/99/43/1426709943.db2.gz DJNFIEOUQQLFBP-UHFFFAOYSA-N 1 1 389.521 3.360 20 30 GGEDMO CCC(CC)[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000173544711 1426717761 /nfs/dbraw/zinc/71/77/61/1426717761.db2.gz MTEMFWUCEYHATP-JOCHJYFZSA-N 1 1 399.535 3.065 20 30 GGEDMO CN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173704511 1426826790 /nfs/dbraw/zinc/82/67/90/1426826790.db2.gz FGSNMGVHLWNCCK-OAQYLSRUSA-N 1 1 377.488 3.254 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nnc5ccccn54)C3)o2)cc1 ZINC000173776253 1426848214 /nfs/dbraw/zinc/84/82/14/1426848214.db2.gz NVUWOXRFXISEJU-KRWDZBQOSA-N 1 1 385.431 3.031 20 30 GGEDMO C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000173786897 1426851273 /nfs/dbraw/zinc/85/12/73/1426851273.db2.gz WQZPRMUJUYYGTA-LJQANCHMSA-N 1 1 382.435 3.067 20 30 GGEDMO C#CCOc1ccc(F)cc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000173786897 1426851275 /nfs/dbraw/zinc/85/12/75/1426851275.db2.gz WQZPRMUJUYYGTA-LJQANCHMSA-N 1 1 382.435 3.067 20 30 GGEDMO C#CCOc1ccc(F)cc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000173786908 1426851336 /nfs/dbraw/zinc/85/13/36/1426851336.db2.gz WQZPRMUJUYYGTA-IBGZPJMESA-N 1 1 382.435 3.067 20 30 GGEDMO C#CCOc1ccc(F)cc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000173786908 1426851339 /nfs/dbraw/zinc/85/13/39/1426851339.db2.gz WQZPRMUJUYYGTA-IBGZPJMESA-N 1 1 382.435 3.067 20 30 GGEDMO C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000173797911 1426853832 /nfs/dbraw/zinc/85/38/32/1426853832.db2.gz NSROQRXBDPHVQX-SJLPKXTDSA-N 1 1 391.487 3.096 20 30 GGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000173871217 1426877133 /nfs/dbraw/zinc/87/71/33/1426877133.db2.gz GKDCVZWFXWRDIJ-QZTJIDSGSA-N 1 1 383.521 3.288 20 30 GGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000173871190 1426877177 /nfs/dbraw/zinc/87/71/77/1426877177.db2.gz GKDCVZWFXWRDIJ-ZWKOTPCHSA-N 1 1 383.521 3.288 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977219 1426921415 /nfs/dbraw/zinc/92/14/15/1426921415.db2.gz DWDXILPHXSGMJH-FPOVZHCZSA-N 1 1 382.552 3.171 20 30 GGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000173978664 1426922673 /nfs/dbraw/zinc/92/26/73/1426922673.db2.gz KKVUAEHRYWALKN-JTHBVZDNSA-N 1 1 388.515 3.117 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173979521 1426923902 /nfs/dbraw/zinc/92/39/02/1426923902.db2.gz VQNKHCKJZJGRLQ-NQIIRXRSSA-N 1 1 376.504 3.339 20 30 GGEDMO N#Cc1ccc(F)c(CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000174026550 1426952641 /nfs/dbraw/zinc/95/26/41/1426952641.db2.gz FWARAUNMVSATNC-UHFFFAOYSA-N 1 1 384.430 3.254 20 30 GGEDMO N#Cc1ccc(F)c(CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000174026550 1426952653 /nfs/dbraw/zinc/95/26/53/1426952653.db2.gz FWARAUNMVSATNC-UHFFFAOYSA-N 1 1 384.430 3.254 20 30 GGEDMO C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000174069612 1426985859 /nfs/dbraw/zinc/98/58/59/1426985859.db2.gz VKJUSWYQELKVLG-VGSWGCGISA-N 1 1 376.504 3.106 20 30 GGEDMO C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)cc1 ZINC000174069598 1426985937 /nfs/dbraw/zinc/98/59/37/1426985937.db2.gz VKJUSWYQELKVLG-JTSKRJEESA-N 1 1 376.504 3.106 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000174084137 1426994085 /nfs/dbraw/zinc/99/40/85/1426994085.db2.gz UMELNLRPBJVZSA-GOSISDBHSA-N 1 1 383.517 3.152 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000174084137 1426994090 /nfs/dbraw/zinc/99/40/90/1426994090.db2.gz UMELNLRPBJVZSA-GOSISDBHSA-N 1 1 383.517 3.152 20 30 GGEDMO CC(C)[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000174088587 1426996094 /nfs/dbraw/zinc/99/60/94/1426996094.db2.gz VQUMOVNLTMERJM-MRXNPFEDSA-N 1 1 384.402 3.055 20 30 GGEDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174098584 1427001604 /nfs/dbraw/zinc/00/16/04/1427001604.db2.gz MGOLYHLVJKQDRB-UHFFFAOYSA-N 1 1 397.445 3.067 20 30 GGEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174098584 1427001611 /nfs/dbraw/zinc/00/16/11/1427001611.db2.gz MGOLYHLVJKQDRB-UHFFFAOYSA-N 1 1 397.445 3.067 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c1C#N ZINC000174124078 1427011651 /nfs/dbraw/zinc/01/16/51/1427011651.db2.gz JKJDSFAVZBCAAD-GOSISDBHSA-N 1 1 392.503 3.405 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)O)c1C#N ZINC000174138746 1427018028 /nfs/dbraw/zinc/01/80/28/1427018028.db2.gz NMVSOBHSYKHGHG-XLIONFOSSA-N 1 1 380.492 3.140 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)O)c1C#N ZINC000174138746 1427018038 /nfs/dbraw/zinc/01/80/38/1427018038.db2.gz NMVSOBHSYKHGHG-XLIONFOSSA-N 1 1 380.492 3.140 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H](C)O)c1C#N ZINC000174138731 1427018053 /nfs/dbraw/zinc/01/80/53/1427018053.db2.gz NMVSOBHSYKHGHG-YLJYHZDGSA-N 1 1 380.492 3.140 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)c1C#N ZINC000174138731 1427018059 /nfs/dbraw/zinc/01/80/59/1427018059.db2.gz NMVSOBHSYKHGHG-YLJYHZDGSA-N 1 1 380.492 3.140 20 30 GGEDMO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)c2)cc1 ZINC000174191453 1427041905 /nfs/dbraw/zinc/04/19/05/1427041905.db2.gz FHKJXMNOCDQMKO-IBGZPJMESA-N 1 1 391.471 3.145 20 30 GGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174196302 1427044927 /nfs/dbraw/zinc/04/49/27/1427044927.db2.gz JYTYKZDVTVPRIK-HNNXBMFYSA-N 1 1 398.425 3.065 20 30 GGEDMO COc1ccc(C[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000174257272 1427072533 /nfs/dbraw/zinc/07/25/33/1427072533.db2.gz HDIQXKABLDBRKS-ROUUACIJSA-N 1 1 379.504 3.466 20 30 GGEDMO CCO[C@H](CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000174332658 1427105464 /nfs/dbraw/zinc/10/54/64/1427105464.db2.gz HAIAUVPRIQLZAK-OAQYLSRUSA-N 1 1 386.540 3.227 20 30 GGEDMO COc1cc(C#N)ccc1OCCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400513 1427139409 /nfs/dbraw/zinc/13/94/09/1427139409.db2.gz CWONEFSBZQTJMU-OAQYLSRUSA-N 1 1 379.504 3.400 20 30 GGEDMO N#Cc1ccccc1Oc1ccc(NC(=O)NCCC[NH+]2CCOCC2)cc1F ZINC000174495016 1427181836 /nfs/dbraw/zinc/18/18/36/1427181836.db2.gz UOJHRGZJMXJQHK-UHFFFAOYSA-N 1 1 398.438 3.333 20 30 GGEDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)ccc1O ZINC000174539596 1427210902 /nfs/dbraw/zinc/21/09/02/1427210902.db2.gz IFFKARDWVUGFGG-UHFFFAOYSA-N 1 1 385.489 3.283 20 30 GGEDMO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)ccc1O ZINC000174543606 1427214565 /nfs/dbraw/zinc/21/45/65/1427214565.db2.gz JVVPIIIQDVVXOA-UHFFFAOYSA-N 1 1 381.476 3.396 20 30 GGEDMO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)ccc1O ZINC000174543606 1427214572 /nfs/dbraw/zinc/21/45/72/1427214572.db2.gz JVVPIIIQDVVXOA-UHFFFAOYSA-N 1 1 381.476 3.396 20 30 GGEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000174557621 1427222939 /nfs/dbraw/zinc/22/29/39/1427222939.db2.gz UCRSGBPCNPPGSB-OALUTQOASA-N 1 1 394.523 3.374 20 30 GGEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000174557621 1427222944 /nfs/dbraw/zinc/22/29/44/1427222944.db2.gz UCRSGBPCNPPGSB-OALUTQOASA-N 1 1 394.523 3.374 20 30 GGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000174578298 1427236961 /nfs/dbraw/zinc/23/69/61/1427236961.db2.gz RUZXLEXJEIXWEE-QHCPKHFHSA-N 1 1 388.515 3.305 20 30 GGEDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1O ZINC000174631409 1427276118 /nfs/dbraw/zinc/27/61/18/1427276118.db2.gz HEHYXYGYVAFOTM-HNNXBMFYSA-N 1 1 385.439 3.307 20 30 GGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1O ZINC000174631409 1427276131 /nfs/dbraw/zinc/27/61/31/1427276131.db2.gz HEHYXYGYVAFOTM-HNNXBMFYSA-N 1 1 385.439 3.307 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CNc2ccc(OCC[NH+]3CCN(C)CC3)cc2)cc1 ZINC000174653041 1427289981 /nfs/dbraw/zinc/28/99/81/1427289981.db2.gz UWXOFMKLYDBCMY-IBGZPJMESA-N 1 1 394.519 3.216 20 30 GGEDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(COc3cccc(C#N)c3)c1)C2 ZINC000174690267 1427311665 /nfs/dbraw/zinc/31/16/65/1427311665.db2.gz ZVMLYELCPFYECR-LEWJYISDSA-N 1 1 375.472 3.446 20 30 GGEDMO COc1cccc(NC(=O)CC[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000174710224 1427323892 /nfs/dbraw/zinc/32/38/92/1427323892.db2.gz TYCSWOIJYMSAGV-UHFFFAOYSA-N 1 1 392.503 3.103 20 30 GGEDMO COc1cccc(NC(=O)CCN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000174710224 1427323898 /nfs/dbraw/zinc/32/38/98/1427323898.db2.gz TYCSWOIJYMSAGV-UHFFFAOYSA-N 1 1 392.503 3.103 20 30 GGEDMO COc1cccc(NC(=O)CCN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000174710224 1427323903 /nfs/dbraw/zinc/32/39/03/1427323903.db2.gz TYCSWOIJYMSAGV-UHFFFAOYSA-N 1 1 392.503 3.103 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826776 1427389169 /nfs/dbraw/zinc/38/91/69/1427389169.db2.gz AXSCVRZAUUTZAX-UHFFFAOYSA-N 1 1 386.496 3.218 20 30 GGEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174829626 1427390922 /nfs/dbraw/zinc/39/09/22/1427390922.db2.gz BINYNYBTZOSWND-UHFFFAOYSA-N 1 1 397.479 3.440 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CCCC(C)(C)C#N)C(C)C)cc1 ZINC000174852997 1427408464 /nfs/dbraw/zinc/40/84/64/1427408464.db2.gz IQYABVFJKWPEET-IBGZPJMESA-N 1 1 375.513 3.425 20 30 GGEDMO C#CCCOc1ccc(CNCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000175019974 1427502311 /nfs/dbraw/zinc/50/23/11/1427502311.db2.gz AYOUUISRHVLILN-UHFFFAOYSA-N 1 1 378.516 3.335 20 30 GGEDMO COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)ccc1OCC#N ZINC000175026233 1427507226 /nfs/dbraw/zinc/50/72/26/1427507226.db2.gz NRVMEECZZJDGPC-OIFJWEAHSA-N 1 1 383.492 3.084 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175156750 1427573036 /nfs/dbraw/zinc/57/30/36/1427573036.db2.gz LEJAOGTZSKDLTK-FQEVSTJZSA-N 1 1 393.487 3.230 20 30 GGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000175266010 1427634737 /nfs/dbraw/zinc/63/47/37/1427634737.db2.gz BSNKDGZVWJLRNA-LAUBAEHRSA-N 1 1 388.471 3.158 20 30 GGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000175266028 1427634762 /nfs/dbraw/zinc/63/47/62/1427634762.db2.gz BSNKDGZVWJLRNA-UTKZUKDTSA-N 1 1 388.471 3.158 20 30 GGEDMO N#Cc1ccc(CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C2CC2)cc1 ZINC000175268467 1427636756 /nfs/dbraw/zinc/63/67/56/1427636756.db2.gz VIXBHPKLOVDEQO-HSZRJFAPSA-N 1 1 389.499 3.340 20 30 GGEDMO N#Cc1ccc(CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C2CC2)cc1 ZINC000175268467 1427636763 /nfs/dbraw/zinc/63/67/63/1427636763.db2.gz VIXBHPKLOVDEQO-HSZRJFAPSA-N 1 1 389.499 3.340 20 30 GGEDMO N#Cc1c[nH]c(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000175278256 1427642988 /nfs/dbraw/zinc/64/29/88/1427642988.db2.gz JXDKZIPGQJKEKD-UHFFFAOYSA-N 1 1 399.498 3.456 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000175427164 1427749379 /nfs/dbraw/zinc/74/93/79/1427749379.db2.gz SRBGBIJDUNVQLV-UHFFFAOYSA-N 1 1 376.432 3.049 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000175485769 1427780680 /nfs/dbraw/zinc/78/06/80/1427780680.db2.gz FTOVSGBMRQALGQ-VQIMIIECSA-N 1 1 397.450 3.233 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000175485769 1427780683 /nfs/dbraw/zinc/78/06/83/1427780683.db2.gz FTOVSGBMRQALGQ-VQIMIIECSA-N 1 1 397.450 3.233 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000175495538 1427788474 /nfs/dbraw/zinc/78/84/74/1427788474.db2.gz QKGIOIGMXGNVSR-WIYYLYMNSA-N 1 1 392.503 3.441 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)o2)cc1 ZINC000175518123 1427801076 /nfs/dbraw/zinc/80/10/76/1427801076.db2.gz JBHMEATWAKDGAE-SFHVURJKSA-N 1 1 387.443 3.459 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)o2)cc1 ZINC000175518123 1427801080 /nfs/dbraw/zinc/80/10/80/1427801080.db2.gz JBHMEATWAKDGAE-SFHVURJKSA-N 1 1 387.443 3.459 20 30 GGEDMO C[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)C[NH+]1CCOCC1 ZINC000175734231 1427873349 /nfs/dbraw/zinc/87/33/49/1427873349.db2.gz AIZOAUHGPLHURJ-QGZVFWFLSA-N 1 1 395.528 3.408 20 30 GGEDMO CN(C(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)C1(C#N)CCCCC1 ZINC000175814849 1427906339 /nfs/dbraw/zinc/90/63/39/1427906339.db2.gz SFCUDNLGZJEZJM-IRXDYDNUSA-N 1 1 375.538 3.321 20 30 GGEDMO C[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000175844937 1427926504 /nfs/dbraw/zinc/92/65/04/1427926504.db2.gz XNHGMRBZGNFDAT-DYESRHJHSA-N 1 1 383.517 3.031 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175865531 1427940729 /nfs/dbraw/zinc/94/07/29/1427940729.db2.gz CVROZJYFSWUBIQ-ROUUACIJSA-N 1 1 388.537 3.072 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175991637 1428016616 /nfs/dbraw/zinc/01/66/16/1428016616.db2.gz OWQXQBCCEDUAIR-JOCHJYFZSA-N 1 1 395.478 3.337 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000175991637 1428016621 /nfs/dbraw/zinc/01/66/21/1428016621.db2.gz OWQXQBCCEDUAIR-JOCHJYFZSA-N 1 1 395.478 3.337 20 30 GGEDMO N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000176128262 1428101082 /nfs/dbraw/zinc/10/10/82/1428101082.db2.gz QZERJLIVMIQULL-INIZCTEOSA-N 1 1 386.496 3.470 20 30 GGEDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000176209988 1428169074 /nfs/dbraw/zinc/16/90/74/1428169074.db2.gz KKJSYGOKAYBMQF-UHFFFAOYSA-N 1 1 394.475 3.137 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000176239146 1428186739 /nfs/dbraw/zinc/18/67/39/1428186739.db2.gz OMCHYELHMZCELT-UHFFFAOYSA-N 1 1 398.528 3.261 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000176239146 1428186747 /nfs/dbraw/zinc/18/67/47/1428186747.db2.gz OMCHYELHMZCELT-UHFFFAOYSA-N 1 1 398.528 3.261 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000176246207 1428192261 /nfs/dbraw/zinc/19/22/61/1428192261.db2.gz PTFFHRMFFFXOBQ-UHFFFAOYSA-N 1 1 394.500 3.088 20 30 GGEDMO Cn1cc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180212544 1429803244 /nfs/dbraw/zinc/80/32/44/1429803244.db2.gz IKTZMYRQTKESPF-HHHXNRCGSA-N 1 1 378.501 3.328 20 30 GGEDMO Cn1cc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180212544 1429803246 /nfs/dbraw/zinc/80/32/46/1429803246.db2.gz IKTZMYRQTKESPF-HHHXNRCGSA-N 1 1 378.501 3.328 20 30 GGEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)c1 ZINC000180241507 1429812443 /nfs/dbraw/zinc/81/24/43/1429812443.db2.gz JPLDBTACJSFKEA-UHFFFAOYSA-N 1 1 392.503 3.435 20 30 GGEDMO Cn1cc(CNc2ccc(NC(=O)C[NH+](C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180327826 1429837023 /nfs/dbraw/zinc/83/70/23/1429837023.db2.gz ZFLZUVYCUHCKDT-UHFFFAOYSA-N 1 1 388.475 3.071 20 30 GGEDMO N#Cc1cc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c[nH]1 ZINC000180386797 1429853380 /nfs/dbraw/zinc/85/33/80/1429853380.db2.gz OWOZAWORSQATMT-UHFFFAOYSA-N 1 1 399.498 3.456 20 30 GGEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180411583 1429861356 /nfs/dbraw/zinc/86/13/56/1429861356.db2.gz LOFZOIDVBJPUDY-IAGOWNOFSA-N 1 1 396.535 3.195 20 30 GGEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180411618 1429861570 /nfs/dbraw/zinc/86/15/70/1429861570.db2.gz LOFZOIDVBJPUDY-SJORKVTESA-N 1 1 396.535 3.195 20 30 GGEDMO C=CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000180486320 1429880815 /nfs/dbraw/zinc/88/08/15/1429880815.db2.gz QIUVURGPKGCIAL-NRFANRHFSA-N 1 1 380.488 3.138 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)c(OC)c1 ZINC000180524288 1429889327 /nfs/dbraw/zinc/88/93/27/1429889327.db2.gz PCXBPRRHDILIKF-OALUTQOASA-N 1 1 385.508 3.340 20 30 GGEDMO C[C@H](CCN(C)Cc1ccc(-c2nn[n-]n2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000820242469 1429901472 /nfs/dbraw/zinc/90/14/72/1429901472.db2.gz NGHICIDYQRKEOH-QGZVFWFLSA-N 1 1 389.507 3.081 20 30 GGEDMO C[C@H](CCN(C)Cc1ccc(-c2nnn[n-]2)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000820242469 1429901476 /nfs/dbraw/zinc/90/14/76/1429901476.db2.gz NGHICIDYQRKEOH-QGZVFWFLSA-N 1 1 389.507 3.081 20 30 GGEDMO C[C@H](CCN(C)Cc1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000820242469 1429901478 /nfs/dbraw/zinc/90/14/78/1429901478.db2.gz NGHICIDYQRKEOH-QGZVFWFLSA-N 1 1 389.507 3.081 20 30 GGEDMO Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc(C)c1OC(F)F ZINC000180586451 1429914168 /nfs/dbraw/zinc/91/41/68/1429914168.db2.gz BBMSUWATCHWHQY-HNNXBMFYSA-N 1 1 387.434 3.277 20 30 GGEDMO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc(C)c1OC(F)F ZINC000180586451 1429914177 /nfs/dbraw/zinc/91/41/77/1429914177.db2.gz BBMSUWATCHWHQY-HNNXBMFYSA-N 1 1 387.434 3.277 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180590214 1429916490 /nfs/dbraw/zinc/91/64/90/1429916490.db2.gz WWHGNDCAWIGXNU-HNNXBMFYSA-N 1 1 377.423 3.458 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180590214 1429916498 /nfs/dbraw/zinc/91/64/98/1429916498.db2.gz WWHGNDCAWIGXNU-HNNXBMFYSA-N 1 1 377.423 3.458 20 30 GGEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)ccc1OC ZINC000180656584 1429960237 /nfs/dbraw/zinc/96/02/37/1429960237.db2.gz DNBKHVUFHCQORR-RXVVDRJESA-N 1 1 385.508 3.329 20 30 GGEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)ccc1OC ZINC000180656608 1429960393 /nfs/dbraw/zinc/96/03/93/1429960393.db2.gz DNBKHVUFHCQORR-NQIIRXRSSA-N 1 1 385.508 3.329 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2ccccn2)c1C#N ZINC000180712306 1429993867 /nfs/dbraw/zinc/99/38/67/1429993867.db2.gz SCJSHTPSKQGWSC-OAHLLOKOSA-N 1 1 377.448 3.302 20 30 GGEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180719820 1430000026 /nfs/dbraw/zinc/00/00/26/1430000026.db2.gz YJXBTQSDLHRIGD-LJQANCHMSA-N 1 1 395.507 3.003 20 30 GGEDMO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180961204 1430138022 /nfs/dbraw/zinc/13/80/22/1430138022.db2.gz JGMJOPUHYIEQBC-OKZBNKHCSA-N 1 1 387.524 3.095 20 30 GGEDMO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180961204 1430138025 /nfs/dbraw/zinc/13/80/25/1430138025.db2.gz JGMJOPUHYIEQBC-OKZBNKHCSA-N 1 1 387.524 3.095 20 30 GGEDMO N#CCCCOc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000180994581 1430157074 /nfs/dbraw/zinc/15/70/74/1430157074.db2.gz MOAOFGXEAMHYLV-QFIPXVFZSA-N 1 1 379.504 3.226 20 30 GGEDMO N#CCCCOc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000180994601 1430157289 /nfs/dbraw/zinc/15/72/89/1430157289.db2.gz MOAOFGXEAMHYLV-JOCHJYFZSA-N 1 1 379.504 3.226 20 30 GGEDMO C#CCCOc1ccc(CNc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)cc1 ZINC000181015486 1430167774 /nfs/dbraw/zinc/16/77/74/1430167774.db2.gz HYRCZXOVNWYMBC-UHFFFAOYSA-N 1 1 391.515 3.365 20 30 GGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000181056289 1430189172 /nfs/dbraw/zinc/18/91/72/1430189172.db2.gz NPGHRZRMCUZWMG-KRWDZBQOSA-N 1 1 377.366 3.451 20 30 GGEDMO CCN1CC[NH+](CCCNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181361486 1430281856 /nfs/dbraw/zinc/28/18/56/1430281856.db2.gz BWSFBIIYYLXISI-UHFFFAOYSA-N 1 1 392.503 3.108 20 30 GGEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCC[C@@H]1O ZINC000181423853 1430295218 /nfs/dbraw/zinc/29/52/18/1430295218.db2.gz MHFFWCYQDWXJKU-PBHICJAKSA-N 1 1 375.538 3.310 20 30 GGEDMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCC[C@@H]1O ZINC000181423853 1430295221 /nfs/dbraw/zinc/29/52/21/1430295221.db2.gz MHFFWCYQDWXJKU-PBHICJAKSA-N 1 1 375.538 3.310 20 30 GGEDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000181437350 1430299094 /nfs/dbraw/zinc/29/90/94/1430299094.db2.gz XSEQDQFHBFDJBC-QGZVFWFLSA-N 1 1 379.794 3.406 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCCC[C@@H]1O ZINC000181473608 1430307021 /nfs/dbraw/zinc/30/70/21/1430307021.db2.gz QKXHTSRSYJGIIX-YOEHRIQHSA-N 1 1 375.538 3.310 20 30 GGEDMO C[C@@H]([NH2+]CCCN1CCN(Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181478475 1430307819 /nfs/dbraw/zinc/30/78/19/1430307819.db2.gz XDDGZAUBLFEVON-OAQYLSRUSA-N 1 1 392.547 3.447 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181519067 1430313970 /nfs/dbraw/zinc/31/39/70/1430313970.db2.gz YKBLWXHFYSYTAC-HKUYNNGSSA-N 1 1 399.535 3.495 20 30 GGEDMO COc1ccc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)c1OC ZINC000181533256 1430316369 /nfs/dbraw/zinc/31/63/69/1430316369.db2.gz KEGWPOCGMZKFEG-UHFFFAOYSA-N 1 1 395.503 3.338 20 30 GGEDMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000181680888 1430340643 /nfs/dbraw/zinc/34/06/43/1430340643.db2.gz KADKGBBQKFKITD-UHFFFAOYSA-N 1 1 382.552 3.355 20 30 GGEDMO COc1ccc([N+](=O)[O-])cc1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181695228 1430342959 /nfs/dbraw/zinc/34/29/59/1430342959.db2.gz IKXHQWQJJZDMLH-UHFFFAOYSA-N 1 1 380.448 3.229 20 30 GGEDMO C=CCOc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000181789601 1430360596 /nfs/dbraw/zinc/36/05/96/1430360596.db2.gz WJTYBUTXOIGKEX-HXUWFJFHSA-N 1 1 381.476 3.140 20 30 GGEDMO CC(C)C[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000181943527 1430386698 /nfs/dbraw/zinc/38/66/98/1430386698.db2.gz UUWXFEAUVHSVDQ-BBRMVZONSA-N 1 1 381.440 3.023 20 30 GGEDMO Cc1ccc(C[N@H+](CCO)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000181976069 1430390912 /nfs/dbraw/zinc/39/09/12/1430390912.db2.gz OJHAQZWODMCLBU-UHFFFAOYSA-N 1 1 385.895 3.390 20 30 GGEDMO Cc1ccc(C[N@@H+](CCO)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000181976069 1430390913 /nfs/dbraw/zinc/39/09/13/1430390913.db2.gz OJHAQZWODMCLBU-UHFFFAOYSA-N 1 1 385.895 3.390 20 30 GGEDMO C[C@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000181981112 1430391434 /nfs/dbraw/zinc/39/14/34/1430391434.db2.gz AOCJBZZQGLXNEP-QGZVFWFLSA-N 1 1 379.460 3.049 20 30 GGEDMO C[C@H]1C[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000181995718 1430393493 /nfs/dbraw/zinc/39/34/93/1430393493.db2.gz PQSIVFDKECQQBR-MBSDFSHPSA-N 1 1 388.515 3.306 20 30 GGEDMO N#CCNC(=O)C[NH2+][C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000182075393 1430406735 /nfs/dbraw/zinc/40/67/35/1430406735.db2.gz HWHOBYXMKCEVBT-QGZVFWFLSA-N 1 1 395.356 3.194 20 30 GGEDMO N#Cc1ccccc1Oc1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000182349943 1430452109 /nfs/dbraw/zinc/45/21/09/1430452109.db2.gz KZMRLCVXYHJDAF-IBGZPJMESA-N 1 1 393.487 3.317 20 30 GGEDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000182446574 1430469177 /nfs/dbraw/zinc/46/91/77/1430469177.db2.gz NZUJUYFVIPHACM-UHFFFAOYSA-N 1 1 393.487 3.269 20 30 GGEDMO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000182574556 1430495560 /nfs/dbraw/zinc/49/55/60/1430495560.db2.gz WFAUTVFVWOUPIJ-QGZVFWFLSA-N 1 1 384.524 3.246 20 30 GGEDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000182656203 1430511474 /nfs/dbraw/zinc/51/14/74/1430511474.db2.gz ZNWSMVDLEHNLAL-CYBMUJFWSA-N 1 1 377.510 3.101 20 30 GGEDMO C[N@@H+](CCCc1ccccc1)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000182678453 1430515769 /nfs/dbraw/zinc/51/57/69/1430515769.db2.gz JQEWBJYCGBASSX-HXUWFJFHSA-N 1 1 396.560 3.022 20 30 GGEDMO CC[N@@H+](CCc1ccccc1)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000182684458 1430516651 /nfs/dbraw/zinc/51/66/51/1430516651.db2.gz WDHIVBDKGOSTDB-HXUWFJFHSA-N 1 1 396.560 3.022 20 30 GGEDMO C[C@H](CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000182691456 1430518638 /nfs/dbraw/zinc/51/86/38/1430518638.db2.gz VVWFNAYPIFQPLL-HXUWFJFHSA-N 1 1 397.567 3.040 20 30 GGEDMO CC[NH+](CC)CCCC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182733449 1430529353 /nfs/dbraw/zinc/52/93/53/1430529353.db2.gz VSDZZLFSDHPZLX-JOCHJYFZSA-N 1 1 382.552 3.498 20 30 GGEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182809942 1430544334 /nfs/dbraw/zinc/54/43/34/1430544334.db2.gz LEUCJUACRHWMSE-INIZCTEOSA-N 1 1 391.397 3.439 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182810604 1430544362 /nfs/dbraw/zinc/54/43/62/1430544362.db2.gz UWOBXFYGCHKWEO-HNNXBMFYSA-N 1 1 391.397 3.439 20 30 GGEDMO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822860 1430547081 /nfs/dbraw/zinc/54/70/81/1430547081.db2.gz OXGXMXGTEZCULT-IEBWSBKVSA-N 1 1 396.535 3.436 20 30 GGEDMO CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182859292 1430555202 /nfs/dbraw/zinc/55/52/02/1430555202.db2.gz XANPSRFEDWNHCY-LJQANCHMSA-N 1 1 398.507 3.043 20 30 GGEDMO N#CCc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000182880732 1430560854 /nfs/dbraw/zinc/56/08/54/1430560854.db2.gz AQZIUQOTHJUHHN-NRFANRHFSA-N 1 1 378.476 3.031 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182890888 1430563512 /nfs/dbraw/zinc/56/35/12/1430563512.db2.gz YESXBJMHVOSCER-GHTZIAJQSA-N 1 1 398.551 3.369 20 30 GGEDMO C[C@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000183090927 1430610657 /nfs/dbraw/zinc/61/06/57/1430610657.db2.gz MOJHJFIEKZULSN-ARWZXILHSA-N 1 1 389.908 3.248 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000183111569 1430616986 /nfs/dbraw/zinc/61/69/86/1430616986.db2.gz CSWYJDZKYTZVTQ-RBTNQOKQSA-N 1 1 397.544 3.260 20 30 GGEDMO C[C@H](c1cccs1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183162618 1430634649 /nfs/dbraw/zinc/63/46/49/1430634649.db2.gz XIOKVKBKTHYJIS-CVEARBPZSA-N 1 1 388.562 3.211 20 30 GGEDMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183162618 1430634653 /nfs/dbraw/zinc/63/46/53/1430634653.db2.gz XIOKVKBKTHYJIS-CVEARBPZSA-N 1 1 388.562 3.211 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183171093 1430637572 /nfs/dbraw/zinc/63/75/72/1430637572.db2.gz KKIRTTLNVUUOLW-LVFJRYOWSA-N 1 1 397.544 3.340 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183171041 1430637775 /nfs/dbraw/zinc/63/77/75/1430637775.db2.gz KKIRTTLNVUUOLW-HHDDECEMSA-N 1 1 397.544 3.340 20 30 GGEDMO N#CCCn1cc(C[N@H+]2CCOCC3(CCOCC3)C2)c(-c2ccccc2)n1 ZINC000183271145 1430666336 /nfs/dbraw/zinc/66/63/36/1430666336.db2.gz BHDYQIBYVMNEAJ-UHFFFAOYSA-N 1 1 380.492 3.093 20 30 GGEDMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000183485967 1430724455 /nfs/dbraw/zinc/72/44/55/1430724455.db2.gz BVQOCJAXNGZYRX-HNNXBMFYSA-N 1 1 385.439 3.440 20 30 GGEDMO C=CCc1cc(C[NH+]2CCC(CCCN3CCOCC3)CC2)c(O)c(OC)c1 ZINC000183522651 1430734259 /nfs/dbraw/zinc/73/42/59/1430734259.db2.gz ICPWQDJHNSOJAW-UHFFFAOYSA-N 1 1 388.552 3.454 20 30 GGEDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000183915705 1430812724 /nfs/dbraw/zinc/81/27/24/1430812724.db2.gz LBYPAOHVJWQPOS-UHFFFAOYSA-N 1 1 387.867 3.048 20 30 GGEDMO CC[N@@H+](CCO)CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000183918487 1430813129 /nfs/dbraw/zinc/81/31/29/1430813129.db2.gz LUMWOXVLQVZIFZ-UHFFFAOYSA-N 1 1 387.867 3.048 20 30 GGEDMO Cc1csc([C@@H](C)CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000183920825 1430813734 /nfs/dbraw/zinc/81/37/34/1430813734.db2.gz GCATYIQNMJPSNY-INIZCTEOSA-N 1 1 397.548 3.344 20 30 GGEDMO CCCCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000184036402 1430832345 /nfs/dbraw/zinc/83/23/45/1430832345.db2.gz PBJUVTQQXHOBMT-UHFFFAOYSA-N 1 1 379.508 3.211 20 30 GGEDMO CCCCn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000184036402 1430832346 /nfs/dbraw/zinc/83/23/46/1430832346.db2.gz PBJUVTQQXHOBMT-UHFFFAOYSA-N 1 1 379.508 3.211 20 30 GGEDMO COc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c([N+](=O)[O-])cc1F ZINC000184244645 1430861592 /nfs/dbraw/zinc/86/15/92/1430861592.db2.gz GKQKCHGLHOQHLB-UHFFFAOYSA-N 1 1 384.411 3.326 20 30 GGEDMO COc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c([N+](=O)[O-])cc1F ZINC000184244645 1430861594 /nfs/dbraw/zinc/86/15/94/1430861594.db2.gz GKQKCHGLHOQHLB-UHFFFAOYSA-N 1 1 384.411 3.326 20 30 GGEDMO Cc1ccc([C@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)[NH+]2CCCC2)o1 ZINC000184298407 1430870219 /nfs/dbraw/zinc/87/02/19/1430870219.db2.gz YUWVBACFULVXSQ-INIZCTEOSA-N 1 1 393.896 3.229 20 30 GGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184299596 1430870521 /nfs/dbraw/zinc/87/05/21/1430870521.db2.gz OVXQHLVASWLVQN-OAHLLOKOSA-N 1 1 399.457 3.026 20 30 GGEDMO CCN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184610928 1430919185 /nfs/dbraw/zinc/91/91/85/1430919185.db2.gz WAHFJEWJETZLIT-OAQYLSRUSA-N 1 1 392.503 3.395 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000184619490 1430921493 /nfs/dbraw/zinc/92/14/93/1430921493.db2.gz DYRSTPXSBFSDQO-PXNSSMCTSA-N 1 1 398.507 3.064 20 30 GGEDMO C=C(C)[C@H](NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000184652839 1430931257 /nfs/dbraw/zinc/93/12/57/1430931257.db2.gz ZFBJEPMIXYKTLW-UZLBHIALSA-N 1 1 394.510 3.155 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1sccc1C#N ZINC000184750179 1430965364 /nfs/dbraw/zinc/96/53/64/1430965364.db2.gz GFCCISTXLAOYBA-NYTJIUQPSA-N 1 1 382.533 3.304 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](CCO)c2ccco2)ccc1Cl ZINC000185092651 1431058879 /nfs/dbraw/zinc/05/88/79/1431058879.db2.gz NLKNYTJCKGYERP-KRWDZBQOSA-N 1 1 375.856 3.201 20 30 GGEDMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000185145429 1431071900 /nfs/dbraw/zinc/07/19/00/1431071900.db2.gz QEMHUZUIAFNRAW-UHFFFAOYSA-N 1 1 396.579 3.351 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)C1CC1 ZINC000185296246 1431103398 /nfs/dbraw/zinc/10/33/98/1431103398.db2.gz NNMQVHBDSDQFLW-JOCHJYFZSA-N 1 1 377.488 3.158 20 30 GGEDMO CC[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000185332726 1431116963 /nfs/dbraw/zinc/11/69/63/1431116963.db2.gz WAVXEHNJBPMXCO-NRFANRHFSA-N 1 1 377.488 3.254 20 30 GGEDMO CC[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000185345884 1431121344 /nfs/dbraw/zinc/12/13/44/1431121344.db2.gz VEDLCYRMHUMVEO-NRFANRHFSA-N 1 1 377.488 3.254 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000185436445 1431145432 /nfs/dbraw/zinc/14/54/32/1431145432.db2.gz SMJCDCCZMJUTQN-QGZVFWFLSA-N 1 1 378.476 3.233 20 30 GGEDMO C[C@@H](c1ccsc1)[NH+]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000185454778 1431149566 /nfs/dbraw/zinc/14/95/66/1431149566.db2.gz WNRKLQSLRUJUNS-YOEHRIQHSA-N 1 1 386.546 3.165 20 30 GGEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000185454759 1431149611 /nfs/dbraw/zinc/14/96/11/1431149611.db2.gz WNRKLQSLRUJUNS-RHSMWYFYSA-N 1 1 386.546 3.165 20 30 GGEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000185637634 1431191380 /nfs/dbraw/zinc/19/13/80/1431191380.db2.gz PFBXEVMKPFQGCV-JTQLQIEISA-N 1 1 397.401 3.433 20 30 GGEDMO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185687809 1431206484 /nfs/dbraw/zinc/20/64/84/1431206484.db2.gz IKXPFPREJJVTAA-LRXVAGHRSA-N 1 1 380.536 3.296 20 30 GGEDMO COc1ccc2c(c1)nc(C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)n2C ZINC000185830891 1431245822 /nfs/dbraw/zinc/24/58/22/1431245822.db2.gz OHSDUYRCDVITAS-UHFFFAOYSA-N 1 1 386.459 3.144 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000185831481 1431246159 /nfs/dbraw/zinc/24/61/59/1431246159.db2.gz NEVVJDQKQRDLFU-HXUWFJFHSA-N 1 1 394.510 3.249 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000185831481 1431246164 /nfs/dbraw/zinc/24/61/64/1431246164.db2.gz NEVVJDQKQRDLFU-HXUWFJFHSA-N 1 1 394.510 3.249 20 30 GGEDMO COC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000185890673 1431265223 /nfs/dbraw/zinc/26/52/23/1431265223.db2.gz APQJFVARBKSLRR-UHFFFAOYSA-N 1 1 384.524 3.125 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C#N)cc2C)C(C)C)cc1 ZINC000186224925 1431356682 /nfs/dbraw/zinc/35/66/82/1431356682.db2.gz BAGKAJPXPUCFEA-QFIPXVFZSA-N 1 1 395.503 3.475 20 30 GGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186297524 1431375064 /nfs/dbraw/zinc/37/50/64/1431375064.db2.gz XADCGBYNMUUARF-MRXNPFEDSA-N 1 1 399.516 3.300 20 30 GGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186297524 1431375068 /nfs/dbraw/zinc/37/50/68/1431375068.db2.gz XADCGBYNMUUARF-MRXNPFEDSA-N 1 1 399.516 3.300 20 30 GGEDMO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)cc3C)C2=O)c1 ZINC000186302261 1431376079 /nfs/dbraw/zinc/37/60/79/1431376079.db2.gz ONEYRVXXHFLWBV-OAQYLSRUSA-N 1 1 379.460 3.121 20 30 GGEDMO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3C)C2=O)c1 ZINC000186302261 1431376083 /nfs/dbraw/zinc/37/60/83/1431376083.db2.gz ONEYRVXXHFLWBV-OAQYLSRUSA-N 1 1 379.460 3.121 20 30 GGEDMO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3ccc(C#N)cc3C)C2=O)c1 ZINC000186302282 1431376145 /nfs/dbraw/zinc/37/61/45/1431376145.db2.gz ONEYRVXXHFLWBV-NRFANRHFSA-N 1 1 379.460 3.121 20 30 GGEDMO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3C)C2=O)c1 ZINC000186302282 1431376152 /nfs/dbraw/zinc/37/61/52/1431376152.db2.gz ONEYRVXXHFLWBV-NRFANRHFSA-N 1 1 379.460 3.121 20 30 GGEDMO N#CCCCOc1cccnc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000186446794 1431421748 /nfs/dbraw/zinc/42/17/48/1431421748.db2.gz QTBWHYLVBDMFRI-UHFFFAOYSA-N 1 1 379.464 3.114 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(OC)c1 ZINC000186619866 1431471299 /nfs/dbraw/zinc/47/12/99/1431471299.db2.gz WUEWYFDZXRSFFU-HYBUGGRVSA-N 1 1 395.499 3.295 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC[C@H]3CCCCO3)CC2)cc1 ZINC000186629075 1431473791 /nfs/dbraw/zinc/47/37/91/1431473791.db2.gz GKZFITBYZQHSDH-OAQYLSRUSA-N 1 1 384.524 3.125 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cccc(F)c2C#N)C[C@@H](C)O1 ZINC000186750802 1431508211 /nfs/dbraw/zinc/50/82/11/1431508211.db2.gz FZACHPAYPQBVRP-HZPDHXFCSA-N 1 1 381.451 3.237 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186830641 1431531978 /nfs/dbraw/zinc/53/19/78/1431531978.db2.gz GZXAVMSLMJWPKU-UHFFFAOYSA-N 1 1 387.549 3.148 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186830641 1431531985 /nfs/dbraw/zinc/53/19/85/1431531985.db2.gz GZXAVMSLMJWPKU-UHFFFAOYSA-N 1 1 387.549 3.148 20 30 GGEDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000186846337 1431537170 /nfs/dbraw/zinc/53/71/70/1431537170.db2.gz RAIFIHYOMPYJGU-OAHLLOKOSA-N 1 1 399.878 3.143 20 30 GGEDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000186848930 1431538995 /nfs/dbraw/zinc/53/89/95/1431538995.db2.gz HTXMKRNKASMULL-OAHLLOKOSA-N 1 1 399.878 3.143 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186941312 1431572127 /nfs/dbraw/zinc/57/21/27/1431572127.db2.gz XELPAVODFXZUNZ-INIZCTEOSA-N 1 1 381.451 3.094 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186941329 1431572250 /nfs/dbraw/zinc/57/22/50/1431572250.db2.gz XELPAVODFXZUNZ-MRXNPFEDSA-N 1 1 381.451 3.094 20 30 GGEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCCC3(CC3)C1)CCCC2 ZINC000186972936 1431580156 /nfs/dbraw/zinc/58/01/56/1431580156.db2.gz KNNIFTYEBDRSAU-QGZVFWFLSA-N 1 1 396.535 3.232 20 30 GGEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCCC3(CC3)C1)CCCC2 ZINC000186972936 1431580158 /nfs/dbraw/zinc/58/01/58/1431580158.db2.gz KNNIFTYEBDRSAU-QGZVFWFLSA-N 1 1 396.535 3.232 20 30 GGEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000186981922 1431582043 /nfs/dbraw/zinc/58/20/43/1431582043.db2.gz ZQCPNVAUWSBKHK-QGZVFWFLSA-N 1 1 393.487 3.268 20 30 GGEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000186981940 1431582260 /nfs/dbraw/zinc/58/22/60/1431582260.db2.gz ZQCPNVAUWSBKHK-KRWDZBQOSA-N 1 1 393.487 3.268 20 30 GGEDMO C=CC[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000187042346 1431598444 /nfs/dbraw/zinc/59/84/44/1431598444.db2.gz UPBWEGBPYKISOM-LEWJYISDSA-N 1 1 377.488 3.435 20 30 GGEDMO C=CC[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000187042346 1431598447 /nfs/dbraw/zinc/59/84/47/1431598447.db2.gz UPBWEGBPYKISOM-LEWJYISDSA-N 1 1 377.488 3.435 20 30 GGEDMO C=CC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000187260140 1431670695 /nfs/dbraw/zinc/67/06/95/1431670695.db2.gz FKFIUVPTEKKMNP-GOSISDBHSA-N 1 1 398.473 3.258 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC1(O)CCCCCC1 ZINC000187343737 1431703358 /nfs/dbraw/zinc/70/33/58/1431703358.db2.gz OJJUMFZQDIWZTC-KRWDZBQOSA-N 1 1 375.488 3.478 20 30 GGEDMO C=CCC[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000187376437 1431713398 /nfs/dbraw/zinc/71/33/98/1431713398.db2.gz TYDRBKCICZOZEN-VABKMULXSA-N 1 1 378.516 3.488 20 30 GGEDMO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000187568260 1431769807 /nfs/dbraw/zinc/76/98/07/1431769807.db2.gz HTPWHIPZDYEBFJ-HSZRJFAPSA-N 1 1 394.519 3.389 20 30 GGEDMO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000187568260 1431769809 /nfs/dbraw/zinc/76/98/09/1431769809.db2.gz HTPWHIPZDYEBFJ-HSZRJFAPSA-N 1 1 394.519 3.389 20 30 GGEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1ccc(F)c(F)c1 ZINC000187763121 1431809660 /nfs/dbraw/zinc/80/96/60/1431809660.db2.gz GDGAISGWZNVGPX-OAQYLSRUSA-N 1 1 389.446 3.109 20 30 GGEDMO C[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000187925834 1431828106 /nfs/dbraw/zinc/82/81/06/1431828106.db2.gz KREBYGXKEHKJRY-ROUUACIJSA-N 1 1 398.551 3.478 20 30 GGEDMO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188001223 1431835342 /nfs/dbraw/zinc/83/53/42/1431835342.db2.gz GTVBIPZFQWOMEB-UHFFFAOYSA-N 1 1 377.448 3.208 20 30 GGEDMO C#CCOc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000188034682 1431838300 /nfs/dbraw/zinc/83/83/00/1431838300.db2.gz WREQOHHEYZDHJL-FQEVSTJZSA-N 1 1 377.488 3.385 20 30 GGEDMO C#CCOc1ccccc1NC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000188124978 1431849903 /nfs/dbraw/zinc/84/99/03/1431849903.db2.gz QGHBRLGORDRQRO-UHFFFAOYSA-N 1 1 387.524 3.301 20 30 GGEDMO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nc2ccccc2c1=O ZINC000188218712 1431862089 /nfs/dbraw/zinc/86/20/89/1431862089.db2.gz XURPMZYJKMMZLO-UHFFFAOYSA-N 1 1 386.565 3.091 20 30 GGEDMO C=CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000188274339 1431868479 /nfs/dbraw/zinc/86/84/79/1431868479.db2.gz UUTTWTXTVBRASF-HSZRJFAPSA-N 1 1 377.532 3.410 20 30 GGEDMO C=C(C)[C@H](NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000188301612 1431870954 /nfs/dbraw/zinc/87/09/54/1431870954.db2.gz AWUHNUJOBQNSPT-PMACEKPBSA-N 1 1 394.510 3.153 20 30 GGEDMO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[N@H+]2CCCOCC2)cc1F ZINC000188363920 1431877143 /nfs/dbraw/zinc/87/71/43/1431877143.db2.gz NGECNCXAGGYFLJ-UHFFFAOYSA-N 1 1 398.438 3.333 20 30 GGEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000188409435 1431881908 /nfs/dbraw/zinc/88/19/08/1431881908.db2.gz ROQVNZDOWVJAES-QGZVFWFLSA-N 1 1 389.377 3.287 20 30 GGEDMO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1O ZINC000188409435 1431881909 /nfs/dbraw/zinc/88/19/09/1431881909.db2.gz ROQVNZDOWVJAES-QGZVFWFLSA-N 1 1 389.377 3.287 20 30 GGEDMO N#CCCCOc1cccnc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000188707847 1431940431 /nfs/dbraw/zinc/94/04/31/1431940431.db2.gz RRBVMUFRHFAIFK-FUHWJXTLSA-N 1 1 383.496 3.245 20 30 GGEDMO N#Cc1cc(NC(=O)NCC[N@H+]2CCCOCC2)ccc1Oc1ccccc1 ZINC000188889021 1432003804 /nfs/dbraw/zinc/00/38/04/1432003804.db2.gz CVJYOXVYHXUSHT-UHFFFAOYSA-N 1 1 380.448 3.194 20 30 GGEDMO CN(C)c1cccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000188918610 1432008397 /nfs/dbraw/zinc/00/83/97/1432008397.db2.gz LGWXUSGYMDERPD-UHFFFAOYSA-N 1 1 390.531 3.291 20 30 GGEDMO N#Cc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000188952730 1432015849 /nfs/dbraw/zinc/01/58/49/1432015849.db2.gz MVWIWDMSSRVRIF-IBGZPJMESA-N 1 1 387.443 3.160 20 30 GGEDMO N#Cc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000188952730 1432015853 /nfs/dbraw/zinc/01/58/53/1432015853.db2.gz MVWIWDMSSRVRIF-IBGZPJMESA-N 1 1 387.443 3.160 20 30 GGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000188964776 1432017634 /nfs/dbraw/zinc/01/76/34/1432017634.db2.gz OOLTYXOWXANOCH-UHFFFAOYSA-N 1 1 396.388 3.145 20 30 GGEDMO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000189028976 1432029696 /nfs/dbraw/zinc/02/96/96/1432029696.db2.gz AEHSIZXJFMRZDL-KNQAVFIVSA-N 1 1 387.524 3.020 20 30 GGEDMO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000189029000 1432030000 /nfs/dbraw/zinc/03/00/00/1432030000.db2.gz AEHSIZXJFMRZDL-DENIHFKCSA-N 1 1 387.524 3.020 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000189137217 1432050940 /nfs/dbraw/zinc/05/09/40/1432050940.db2.gz GFTBUEHZLLDFHA-KRWDZBQOSA-N 1 1 384.524 3.398 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189240549 1432069766 /nfs/dbraw/zinc/06/97/66/1432069766.db2.gz YNZBPZBRCYABQS-XLIONFOSSA-N 1 1 385.508 3.221 20 30 GGEDMO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000189442684 1432113079 /nfs/dbraw/zinc/11/30/79/1432113079.db2.gz HIEWHOKLLYYXJD-UHFFFAOYSA-N 1 1 399.878 3.456 20 30 GGEDMO N#Cc1ccccc1Oc1ccc(C(=O)NCC[N@H+]2CCCOCC2)cc1Cl ZINC000189446353 1432114366 /nfs/dbraw/zinc/11/43/66/1432114366.db2.gz KBKLKMMXPLFFOU-UHFFFAOYSA-N 1 1 399.878 3.456 20 30 GGEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189478085 1432128287 /nfs/dbraw/zinc/12/82/87/1432128287.db2.gz CBNZUKCIRIRYLP-QGZVFWFLSA-N 1 1 393.491 3.108 20 30 GGEDMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000189565123 1432160444 /nfs/dbraw/zinc/16/04/44/1432160444.db2.gz WQTILRHGWQWOJW-UWJYYQICSA-N 1 1 390.487 3.008 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000189565101 1432160512 /nfs/dbraw/zinc/16/05/12/1432160512.db2.gz WQTILRHGWQWOJW-UTKZUKDTSA-N 1 1 390.487 3.008 20 30 GGEDMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000189565057 1432160565 /nfs/dbraw/zinc/16/05/65/1432160565.db2.gz WQTILRHGWQWOJW-DYESRHJHSA-N 1 1 390.487 3.008 20 30 GGEDMO C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000189564650 1432160938 /nfs/dbraw/zinc/16/09/38/1432160938.db2.gz QLWJHJJWFKQZAA-AVRDEDQJSA-N 1 1 389.499 3.118 20 30 GGEDMO CC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000189683825 1432203005 /nfs/dbraw/zinc/20/30/05/1432203005.db2.gz ZEQSWTIYNHCODJ-HSZRJFAPSA-N 1 1 394.519 3.200 20 30 GGEDMO CC[C@]1(CO)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000189689324 1432205126 /nfs/dbraw/zinc/20/51/26/1432205126.db2.gz JUDMXQWFKPHGMA-HXUWFJFHSA-N 1 1 375.538 3.454 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H](C)c1cccc(C#N)c1 ZINC000189778097 1432232597 /nfs/dbraw/zinc/23/25/97/1432232597.db2.gz KEBKKYACCMSHHI-GOSISDBHSA-N 1 1 392.503 3.416 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H](C)c1cccc(C#N)c1 ZINC000189778097 1432232598 /nfs/dbraw/zinc/23/25/98/1432232598.db2.gz KEBKKYACCMSHHI-GOSISDBHSA-N 1 1 392.503 3.416 20 30 GGEDMO CCOC(=O)c1ccc(N2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)CC2)nc1 ZINC000189941730 1432282382 /nfs/dbraw/zinc/28/23/82/1432282382.db2.gz NFJJUCVTLPZWQM-KRWDZBQOSA-N 1 1 378.476 3.403 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](CC(C)(C)O)C2CC2)c1C#N ZINC000189991180 1432300895 /nfs/dbraw/zinc/30/08/95/1432300895.db2.gz GOAPLDRNEJKACA-UHFFFAOYSA-N 1 1 394.519 3.199 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000190041440 1432309316 /nfs/dbraw/zinc/30/93/16/1432309316.db2.gz UVIJPORHXXGCLO-QFIPXVFZSA-N 1 1 389.499 3.418 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000190186727 1432336132 /nfs/dbraw/zinc/33/61/32/1432336132.db2.gz LHVWNECNSXUBCY-HOTGVXAUSA-N 1 1 390.553 3.247 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000190186707 1432336340 /nfs/dbraw/zinc/33/63/40/1432336340.db2.gz LHVWNECNSXUBCY-JKSUJKDBSA-N 1 1 390.553 3.247 20 30 GGEDMO CN(Cc1cccc(OCCCC#N)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190318187 1432360186 /nfs/dbraw/zinc/36/01/86/1432360186.db2.gz JSCLPBRRNAPSKC-DEOSSOPVSA-N 1 1 393.531 3.438 20 30 GGEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190318187 1432360190 /nfs/dbraw/zinc/36/01/90/1432360190.db2.gz JSCLPBRRNAPSKC-DEOSSOPVSA-N 1 1 393.531 3.438 20 30 GGEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190318187 1432360194 /nfs/dbraw/zinc/36/01/94/1432360194.db2.gz JSCLPBRRNAPSKC-DEOSSOPVSA-N 1 1 393.531 3.438 20 30 GGEDMO Cn1cc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1C#N ZINC000191234443 1432599105 /nfs/dbraw/zinc/59/91/05/1432599105.db2.gz HFNPFQPQPDRCJX-NRFANRHFSA-N 1 1 379.485 3.179 20 30 GGEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccnc1 ZINC000191239829 1432600473 /nfs/dbraw/zinc/60/04/73/1432600473.db2.gz IQCDSFWRRANOIW-UHFFFAOYSA-N 1 1 398.532 3.371 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1C#N ZINC000191267251 1432614262 /nfs/dbraw/zinc/61/42/62/1432614262.db2.gz GVRHATZVEIBVOB-GJZGRUSLSA-N 1 1 380.492 3.138 20 30 GGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191311738 1432628643 /nfs/dbraw/zinc/62/86/43/1432628643.db2.gz ATSZRTQXWGQZAH-UHFFFAOYSA-N 1 1 397.426 3.149 20 30 GGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191311738 1432628644 /nfs/dbraw/zinc/62/86/44/1432628644.db2.gz ATSZRTQXWGQZAH-UHFFFAOYSA-N 1 1 397.426 3.149 20 30 GGEDMO COc1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1C#N ZINC000191314715 1432629510 /nfs/dbraw/zinc/62/95/10/1432629510.db2.gz ZMPNMTIKVILTSU-UHFFFAOYSA-N 1 1 397.426 3.149 20 30 GGEDMO COc1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1C#N ZINC000191314715 1432629531 /nfs/dbraw/zinc/62/95/31/1432629531.db2.gz ZMPNMTIKVILTSU-UHFFFAOYSA-N 1 1 397.426 3.149 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+](CCc2ccccc2)Cc2cccnc2)cc1 ZINC000191355631 1432639886 /nfs/dbraw/zinc/63/98/86/1432639886.db2.gz CGGHKDMXILCEBI-HSZRJFAPSA-N 1 1 387.483 3.438 20 30 GGEDMO C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191514867 1432677005 /nfs/dbraw/zinc/67/70/05/1432677005.db2.gz LTIKSZCRTUPPTB-OAHLLOKOSA-N 1 1 383.517 3.136 20 30 GGEDMO CO[C@](C)(C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000191893587 1432749312 /nfs/dbraw/zinc/74/93/12/1432749312.db2.gz QBXRHTZMJPAQSP-QHCPKHFHSA-N 1 1 395.478 3.293 20 30 GGEDMO CO[C@](C)(C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000191893587 1432749318 /nfs/dbraw/zinc/74/93/18/1432749318.db2.gz QBXRHTZMJPAQSP-QHCPKHFHSA-N 1 1 395.478 3.293 20 30 GGEDMO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191910864 1432753557 /nfs/dbraw/zinc/75/35/57/1432753557.db2.gz CPYLFMPMKPNMSP-LJQANCHMSA-N 1 1 382.439 3.110 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191918075 1432755513 /nfs/dbraw/zinc/75/55/13/1432755513.db2.gz SIXMGETZHAWLSC-FQEVSTJZSA-N 1 1 378.476 3.279 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C#N)c(F)c2)C(C)C)cc1 ZINC000192014463 1432779900 /nfs/dbraw/zinc/77/99/00/1432779900.db2.gz YXVASBUQYRFEIM-FQEVSTJZSA-N 1 1 399.466 3.306 20 30 GGEDMO O=C(NCC(F)(F)C(F)F)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000192020148 1432780625 /nfs/dbraw/zinc/78/06/25/1432780625.db2.gz NSASRSMSWLCGFQ-AWEZNQCLSA-N 1 1 386.311 3.458 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCS[C@@H](C)CC2)c1C#N ZINC000192192356 1432814202 /nfs/dbraw/zinc/81/42/02/1432814202.db2.gz GZPKEXRGORPFLK-AWEZNQCLSA-N 1 1 386.521 3.384 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCS[C@@H](C)CC2)c1C#N ZINC000192192356 1432814204 /nfs/dbraw/zinc/81/42/04/1432814204.db2.gz GZPKEXRGORPFLK-AWEZNQCLSA-N 1 1 386.521 3.384 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192206052 1432815923 /nfs/dbraw/zinc/81/59/23/1432815923.db2.gz PAGRHMZJWHMFCA-HNNXBMFYSA-N 1 1 387.480 3.430 20 30 GGEDMO N#CCSc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192220493 1432818968 /nfs/dbraw/zinc/81/89/68/1432818968.db2.gz GNTWJWNATGGRRX-FQEVSTJZSA-N 1 1 395.528 3.323 20 30 GGEDMO C[C@H](C#N)Oc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357067 1432836133 /nfs/dbraw/zinc/83/61/33/1432836133.db2.gz VKRGTMWBQMNMKH-AUSIDOKSSA-N 1 1 379.504 3.358 20 30 GGEDMO C[C@H](C#N)Oc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357067 1432836135 /nfs/dbraw/zinc/83/61/35/1432836135.db2.gz VKRGTMWBQMNMKH-AUSIDOKSSA-N 1 1 379.504 3.358 20 30 GGEDMO C[C@H](C#N)Oc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357075 1432836319 /nfs/dbraw/zinc/83/63/19/1432836319.db2.gz VKRGTMWBQMNMKH-XXBNENTESA-N 1 1 379.504 3.358 20 30 GGEDMO C[C@H](C#N)Oc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357075 1432836323 /nfs/dbraw/zinc/83/63/23/1432836323.db2.gz VKRGTMWBQMNMKH-XXBNENTESA-N 1 1 379.504 3.358 20 30 GGEDMO CN(CCC#N)c1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358109 1432836504 /nfs/dbraw/zinc/83/65/04/1432836504.db2.gz NSZOHDWEUGNMBG-DEOSSOPVSA-N 1 1 392.547 3.417 20 30 GGEDMO CN(CCC#N)c1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358109 1432836506 /nfs/dbraw/zinc/83/65/06/1432836506.db2.gz NSZOHDWEUGNMBG-DEOSSOPVSA-N 1 1 392.547 3.417 20 30 GGEDMO CN(CCC#N)c1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358101 1432836576 /nfs/dbraw/zinc/83/65/76/1432836576.db2.gz NSZOHDWEUGNMBG-XMMPIXPASA-N 1 1 392.547 3.417 20 30 GGEDMO CN(CCC#N)c1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358101 1432836577 /nfs/dbraw/zinc/83/65/77/1432836577.db2.gz NSZOHDWEUGNMBG-XMMPIXPASA-N 1 1 392.547 3.417 20 30 GGEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192609863 1432865729 /nfs/dbraw/zinc/86/57/29/1432865729.db2.gz MSNRSZFXLXZPIA-IIDRJIIISA-N 1 1 395.528 3.484 20 30 GGEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192609863 1432865730 /nfs/dbraw/zinc/86/57/30/1432865730.db2.gz MSNRSZFXLXZPIA-IIDRJIIISA-N 1 1 395.528 3.484 20 30 GGEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192609846 1432865751 /nfs/dbraw/zinc/86/57/51/1432865751.db2.gz MSNRSZFXLXZPIA-SYWSQECDSA-N 1 1 395.528 3.484 20 30 GGEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192609846 1432865753 /nfs/dbraw/zinc/86/57/53/1432865753.db2.gz MSNRSZFXLXZPIA-SYWSQECDSA-N 1 1 395.528 3.484 20 30 GGEDMO COc1cc(C[N@H+](C2CC2)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1O ZINC000192710574 1432878365 /nfs/dbraw/zinc/87/83/65/1432878365.db2.gz ALTFQNTYAOTJKK-HXUWFJFHSA-N 1 1 391.471 3.432 20 30 GGEDMO COc1cc(C[N@@H+](C2CC2)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1O ZINC000192710574 1432878366 /nfs/dbraw/zinc/87/83/66/1432878366.db2.gz ALTFQNTYAOTJKK-HXUWFJFHSA-N 1 1 391.471 3.432 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000192985256 1432917469 /nfs/dbraw/zinc/91/74/69/1432917469.db2.gz NJWPLWBXLOEQIC-KRWDZBQOSA-N 1 1 389.908 3.012 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCO4)CC2)cc1 ZINC000193029017 1432924632 /nfs/dbraw/zinc/92/46/32/1432924632.db2.gz QOGCYSIDBFJFKU-UHFFFAOYSA-N 1 1 376.460 3.233 20 30 GGEDMO C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCCC1 ZINC000193058833 1432929688 /nfs/dbraw/zinc/92/96/88/1432929688.db2.gz LBRBYGBHMYWDAQ-UHFFFAOYSA-N 1 1 384.524 3.197 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@H+](C[C@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193146455 1432944483 /nfs/dbraw/zinc/94/44/83/1432944483.db2.gz HCNHWYDFLKZQTQ-FQEVSTJZSA-N 1 1 399.922 3.159 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C[C@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193146455 1432944486 /nfs/dbraw/zinc/94/44/86/1432944486.db2.gz HCNHWYDFLKZQTQ-FQEVSTJZSA-N 1 1 399.922 3.159 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C[C@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193146455 1432944489 /nfs/dbraw/zinc/94/44/89/1432944489.db2.gz HCNHWYDFLKZQTQ-FQEVSTJZSA-N 1 1 399.922 3.159 20 30 GGEDMO COc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000193278185 1432973089 /nfs/dbraw/zinc/97/30/89/1432973089.db2.gz ZFZFYLOXTCYCBH-AWEZNQCLSA-N 1 1 399.516 3.455 20 30 GGEDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000193278185 1432973093 /nfs/dbraw/zinc/97/30/93/1432973093.db2.gz ZFZFYLOXTCYCBH-AWEZNQCLSA-N 1 1 399.516 3.455 20 30 GGEDMO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000193280364 1432973327 /nfs/dbraw/zinc/97/33/27/1432973327.db2.gz AHRIGUZCBGVMFQ-LJQANCHMSA-N 1 1 389.421 3.349 20 30 GGEDMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000193280364 1432973328 /nfs/dbraw/zinc/97/33/28/1432973328.db2.gz AHRIGUZCBGVMFQ-LJQANCHMSA-N 1 1 389.421 3.349 20 30 GGEDMO Cc1ccc(NCCCNC(=O)NCCSCc2ccccc2C#N)[nH+]c1 ZINC000193300553 1432976166 /nfs/dbraw/zinc/97/61/66/1432976166.db2.gz ZMNLYQLXXMTALA-UHFFFAOYSA-N 1 1 383.521 3.296 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2nnc3ccccn32)c1 ZINC000193327685 1432980033 /nfs/dbraw/zinc/98/00/33/1432980033.db2.gz ZLPHNVMFPUTUTH-QZTJIDSGSA-N 1 1 390.491 3.332 20 30 GGEDMO C[C@@H]1CN(CC[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000193398889 1432991273 /nfs/dbraw/zinc/99/12/73/1432991273.db2.gz ATDITXRFLVTSJO-KDURUIRLSA-N 1 1 381.524 3.005 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000193508457 1433011152 /nfs/dbraw/zinc/01/11/52/1433011152.db2.gz IPIGCPWMERHZGS-CALCHBBNSA-N 1 1 378.476 3.218 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](c3cc[nH]n3)C1)CCCC2 ZINC000193581761 1433023244 /nfs/dbraw/zinc/02/32/44/1433023244.db2.gz NNVDBKFLXVNUQD-AWEZNQCLSA-N 1 1 383.521 3.430 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](c3cc[nH]n3)C1)CCCC2 ZINC000193581740 1433023260 /nfs/dbraw/zinc/02/32/60/1433023260.db2.gz NNVDBKFLXVNUQD-CQSZACIVSA-N 1 1 383.521 3.430 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000193650196 1433034092 /nfs/dbraw/zinc/03/40/92/1433034092.db2.gz QLMSYWBHWBMUKA-UHFFFAOYSA-N 1 1 395.419 3.083 20 30 GGEDMO CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760476 1433054435 /nfs/dbraw/zinc/05/44/35/1433054435.db2.gz LGHURAORUYIUEV-SFHVURJKSA-N 1 1 392.503 3.347 20 30 GGEDMO CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760476 1433054436 /nfs/dbraw/zinc/05/44/36/1433054436.db2.gz LGHURAORUYIUEV-SFHVURJKSA-N 1 1 392.503 3.347 20 30 GGEDMO N#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193849709 1433072661 /nfs/dbraw/zinc/07/26/61/1433072661.db2.gz FGIHBOHJZXTPIY-QGZVFWFLSA-N 1 1 382.439 3.372 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)nc1 ZINC000193852743 1433073446 /nfs/dbraw/zinc/07/34/46/1433073446.db2.gz YHQTYIARCOYFQS-UHFFFAOYSA-N 1 1 385.471 3.249 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)nc1 ZINC000193852661 1433073502 /nfs/dbraw/zinc/07/35/02/1433073502.db2.gz YSVMUJCYHLUJBK-UHFFFAOYSA-N 1 1 385.471 3.249 20 30 GGEDMO CCCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1OCC ZINC000193854345 1433073688 /nfs/dbraw/zinc/07/36/88/1433073688.db2.gz ICEUHFBCENSVPL-UHFFFAOYSA-N 1 1 380.492 3.463 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193952192 1433091395 /nfs/dbraw/zinc/09/13/95/1433091395.db2.gz KHYULJOPQMFJFL-CALCHBBNSA-N 1 1 398.551 3.299 20 30 GGEDMO N#CCOc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000194180659 1433133084 /nfs/dbraw/zinc/13/30/84/1433133084.db2.gz QHBDUDYOANQFRM-UHFFFAOYSA-N 1 1 385.414 3.262 20 30 GGEDMO CCO[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000194318547 1433160552 /nfs/dbraw/zinc/16/05/52/1433160552.db2.gz UEEHGJPOXRAVQS-JOCHJYFZSA-N 1 1 377.488 3.370 20 30 GGEDMO CCO[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000194318547 1433160554 /nfs/dbraw/zinc/16/05/54/1433160554.db2.gz UEEHGJPOXRAVQS-JOCHJYFZSA-N 1 1 377.488 3.370 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCSC(F)(F)F)CC2)cc1 ZINC000194545294 1433195313 /nfs/dbraw/zinc/19/53/13/1433195313.db2.gz QMXVYWFLPAFQDE-UHFFFAOYSA-N 1 1 386.443 3.029 20 30 GGEDMO Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000194760209 1433226087 /nfs/dbraw/zinc/22/60/87/1433226087.db2.gz MJILRUSZYKCHKZ-UHFFFAOYSA-N 1 1 390.487 3.472 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000194860100 1433250792 /nfs/dbraw/zinc/25/07/92/1433250792.db2.gz IEHPPIQSHIYIPH-QFIPXVFZSA-N 1 1 380.492 3.370 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000194877768 1433254415 /nfs/dbraw/zinc/25/44/15/1433254415.db2.gz BGDWJSGGOOSUJC-IBGZPJMESA-N 1 1 377.510 3.086 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000194877768 1433254419 /nfs/dbraw/zinc/25/44/19/1433254419.db2.gz BGDWJSGGOOSUJC-IBGZPJMESA-N 1 1 377.510 3.086 20 30 GGEDMO CCOCc1ccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194958148 1433272366 /nfs/dbraw/zinc/27/23/66/1433272366.db2.gz AAIAQYYUXRYMLV-UHFFFAOYSA-N 1 1 377.488 3.376 20 30 GGEDMO CCOCc1ccc(CNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194958148 1433272367 /nfs/dbraw/zinc/27/23/67/1433272367.db2.gz AAIAQYYUXRYMLV-UHFFFAOYSA-N 1 1 377.488 3.376 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C2CC2)cc1 ZINC000194961139 1433273029 /nfs/dbraw/zinc/27/30/29/1433273029.db2.gz VNYMMJOIUICFHG-UHFFFAOYSA-N 1 1 399.498 3.084 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C2CC2)cc1 ZINC000194961139 1433273034 /nfs/dbraw/zinc/27/30/34/1433273034.db2.gz VNYMMJOIUICFHG-UHFFFAOYSA-N 1 1 399.498 3.084 20 30 GGEDMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194961327 1433273114 /nfs/dbraw/zinc/27/31/14/1433273114.db2.gz NSISRNGWIBSDKW-NRFANRHFSA-N 1 1 394.471 3.174 20 30 GGEDMO C=C(C)[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000195080154 1433289935 /nfs/dbraw/zinc/28/99/35/1433289935.db2.gz OPWPYJXHVHEBRB-KHYOSLBOSA-N 1 1 381.467 3.333 20 30 GGEDMO C=C(C)[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000195080154 1433289938 /nfs/dbraw/zinc/28/99/38/1433289938.db2.gz OPWPYJXHVHEBRB-KHYOSLBOSA-N 1 1 381.467 3.333 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC000229351059 1433371725 /nfs/dbraw/zinc/37/17/25/1433371725.db2.gz GHYZKCIWDWKHJK-DLBZAZTESA-N 1 1 392.569 3.168 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000245460548 1433472360 /nfs/dbraw/zinc/47/23/60/1433472360.db2.gz VWLZVPWFZMXISU-VQTJNVASSA-N 1 1 382.552 3.314 20 30 GGEDMO N#C[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000245461604 1433473108 /nfs/dbraw/zinc/47/31/08/1433473108.db2.gz NEXNGEWVHLDIIS-FXAWDEMLSA-N 1 1 383.879 3.312 20 30 GGEDMO N#C[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000245461604 1433473109 /nfs/dbraw/zinc/47/31/09/1433473109.db2.gz NEXNGEWVHLDIIS-FXAWDEMLSA-N 1 1 383.879 3.312 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)O)c1C#N ZINC000245494464 1433476733 /nfs/dbraw/zinc/47/67/33/1433476733.db2.gz NMVSOBHSYKHGHG-FXAWDEMLSA-N 1 1 380.492 3.140 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)O)c1C#N ZINC000245494464 1433476734 /nfs/dbraw/zinc/47/67/34/1433476734.db2.gz NMVSOBHSYKHGHG-FXAWDEMLSA-N 1 1 380.492 3.140 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1C#N ZINC000245542863 1433483050 /nfs/dbraw/zinc/48/30/50/1433483050.db2.gz KJGYREBNTPAKOC-FXAWDEMLSA-N 1 1 398.507 3.039 20 30 GGEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCC[C@H]1O ZINC000245546643 1433483349 /nfs/dbraw/zinc/48/33/49/1433483349.db2.gz MHFFWCYQDWXJKU-WMLDXEAASA-N 1 1 375.538 3.310 20 30 GGEDMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCC[C@H]1O ZINC000245546643 1433483351 /nfs/dbraw/zinc/48/33/51/1433483351.db2.gz MHFFWCYQDWXJKU-WMLDXEAASA-N 1 1 375.538 3.310 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245556128 1433484669 /nfs/dbraw/zinc/48/46/69/1433484669.db2.gz UEVLCDIJQXZIIB-SOLBZPMBSA-N 1 1 375.538 3.360 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245556126 1433484744 /nfs/dbraw/zinc/48/47/44/1433484744.db2.gz UEVLCDIJQXZIIB-JFIYKMOQSA-N 1 1 375.538 3.360 20 30 GGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000245563780 1433485892 /nfs/dbraw/zinc/48/58/92/1433485892.db2.gz QBNQQCPCNQPJMS-WSCVDHEUSA-N 1 1 399.539 3.063 20 30 GGEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000245565674 1433486106 /nfs/dbraw/zinc/48/61/06/1433486106.db2.gz RZOWMXKYQOAYEZ-MJGOQNOKSA-N 1 1 382.508 3.118 20 30 GGEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000245565674 1433486108 /nfs/dbraw/zinc/48/61/08/1433486108.db2.gz RZOWMXKYQOAYEZ-MJGOQNOKSA-N 1 1 382.508 3.118 20 30 GGEDMO C=C[C@H](CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1ccccc1 ZINC000245572916 1433486748 /nfs/dbraw/zinc/48/67/48/1433486748.db2.gz CQWLEDNVSAXDFE-PUHATCMVSA-N 1 1 378.516 3.346 20 30 GGEDMO C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1n1ccnc1 ZINC000245606632 1433490361 /nfs/dbraw/zinc/49/03/61/1433490361.db2.gz NKEUZZZPBLDSEL-VQIMIIECSA-N 1 1 385.899 3.366 20 30 GGEDMO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1n1ccnc1 ZINC000245606632 1433490362 /nfs/dbraw/zinc/49/03/62/1433490362.db2.gz NKEUZZZPBLDSEL-VQIMIIECSA-N 1 1 385.899 3.366 20 30 GGEDMO C=C(C)COCCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245670775 1433497776 /nfs/dbraw/zinc/49/77/76/1433497776.db2.gz HVNUPPFXDUMGRQ-QAPCUYQASA-N 1 1 383.895 3.364 20 30 GGEDMO C[N@H+]1CC[C@H](CNC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245698615 1433502165 /nfs/dbraw/zinc/50/21/65/1433502165.db2.gz MZPOSDFTDKSBSH-CRAIPNDOSA-N 1 1 378.879 3.417 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000245699600 1433502328 /nfs/dbraw/zinc/50/23/28/1433502328.db2.gz YYAUBPQQLAKJOH-RTWAWAEBSA-N 1 1 393.487 3.142 20 30 GGEDMO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1OCCCC#N ZINC000245731889 1433507418 /nfs/dbraw/zinc/50/74/18/1433507418.db2.gz JXSPZVSPGRPITR-YLJYHZDGSA-N 1 1 394.537 3.165 20 30 GGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1OCCCC#N ZINC000245731889 1433507420 /nfs/dbraw/zinc/50/74/20/1433507420.db2.gz JXSPZVSPGRPITR-YLJYHZDGSA-N 1 1 394.537 3.165 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245742995 1433509917 /nfs/dbraw/zinc/50/99/17/1433509917.db2.gz MESJCGUKBCIKJA-MOPGFXCFSA-N 1 1 382.508 3.030 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245742995 1433509919 /nfs/dbraw/zinc/50/99/19/1433509919.db2.gz MESJCGUKBCIKJA-MOPGFXCFSA-N 1 1 382.508 3.030 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245742995 1433509922 /nfs/dbraw/zinc/50/99/22/1433509922.db2.gz MESJCGUKBCIKJA-MOPGFXCFSA-N 1 1 382.508 3.030 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000245778114 1433516542 /nfs/dbraw/zinc/51/65/42/1433516542.db2.gz HGYBOMXUSNPIEF-DLBZAZTESA-N 1 1 377.916 3.439 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245851775 1433526611 /nfs/dbraw/zinc/52/66/11/1433526611.db2.gz JKHHZMKMPMKPAH-MSOLQXFVSA-N 1 1 397.498 3.149 20 30 GGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000245868099 1433530743 /nfs/dbraw/zinc/53/07/43/1433530743.db2.gz KJUBUPMSKPTXJG-HCXYKTFWSA-N 1 1 386.565 3.110 20 30 GGEDMO C[C@H]([NH2+][C@H](C[S@@](C)=O)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000245875163 1433531679 /nfs/dbraw/zinc/53/16/79/1433531679.db2.gz MBIUUQRZFPFLBL-ZSFCQPBGSA-N 1 1 383.517 3.031 20 30 GGEDMO C[C@H]([NH2+][C@@H](C[S@@](C)=O)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000245875153 1433531976 /nfs/dbraw/zinc/53/19/76/1433531976.db2.gz MBIUUQRZFPFLBL-QXFFETOOSA-N 1 1 383.517 3.031 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245880025 1433532217 /nfs/dbraw/zinc/53/22/17/1433532217.db2.gz NDXPBDUOUYOIQE-OALUTQOASA-N 1 1 379.508 3.010 20 30 GGEDMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245900159 1433537897 /nfs/dbraw/zinc/53/78/97/1433537897.db2.gz RYGZZKLJGLFLKX-XMSQKQJNSA-N 1 1 394.494 3.228 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000245904978 1433538809 /nfs/dbraw/zinc/53/88/09/1433538809.db2.gz SYLZSFCZVUGZHN-QGZVFWFLSA-N 1 1 386.458 3.113 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000245904978 1433538819 /nfs/dbraw/zinc/53/88/19/1433538819.db2.gz SYLZSFCZVUGZHN-QGZVFWFLSA-N 1 1 386.458 3.113 20 30 GGEDMO O=C1CC[C@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]2N1C1CC1 ZINC000245928562 1433544643 /nfs/dbraw/zinc/54/46/43/1433544643.db2.gz YARAJPOACPPMPE-LPHOPBHVSA-N 1 1 392.421 3.412 20 30 GGEDMO CC(C)[C@H](CC[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000245985885 1433553303 /nfs/dbraw/zinc/55/33/03/1433553303.db2.gz HPASJDSRBPVADK-RBUKOAKNSA-N 1 1 375.513 3.463 20 30 GGEDMO C[C@@H](CC#N)N(C)Cn1nc([C@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000246098011 1433568221 /nfs/dbraw/zinc/56/82/21/1433568221.db2.gz HPSBFBSIIJDQOG-KBPBESRZSA-N 1 1 376.505 3.356 20 30 GGEDMO Cc1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C#N ZINC000246224506 1433583851 /nfs/dbraw/zinc/58/38/51/1433583851.db2.gz VRDFDNSQOYMOMX-DNVCBOLYSA-N 1 1 389.546 3.290 20 30 GGEDMO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000246275692 1433588605 /nfs/dbraw/zinc/58/86/05/1433588605.db2.gz BMSBMGBJHYCLTR-RBUKOAKNSA-N 1 1 399.535 3.303 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246279055 1433589030 /nfs/dbraw/zinc/58/90/30/1433589030.db2.gz VNNNNRXNJRFINI-QFBILLFUSA-N 1 1 389.546 3.290 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@H]2[C@H](C)O)c1C#N ZINC000246300487 1433591634 /nfs/dbraw/zinc/59/16/34/1433591634.db2.gz DOMMRPQQCKZDGI-RXVVDRJESA-N 1 1 394.519 3.199 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H](C)O)c1C#N ZINC000246300487 1433591638 /nfs/dbraw/zinc/59/16/38/1433591638.db2.gz DOMMRPQQCKZDGI-RXVVDRJESA-N 1 1 394.519 3.199 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000246315204 1433593564 /nfs/dbraw/zinc/59/35/64/1433593564.db2.gz RSUHBOZAFFDUFB-FUHWJXTLSA-N 1 1 392.507 3.083 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000246315204 1433593565 /nfs/dbraw/zinc/59/35/65/1433593565.db2.gz RSUHBOZAFFDUFB-FUHWJXTLSA-N 1 1 392.507 3.083 20 30 GGEDMO CCOC(=O)c1ccc(N2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)CC2)nc1 ZINC000246465881 1433616647 /nfs/dbraw/zinc/61/66/47/1433616647.db2.gz WXJSJIIOYSDACG-QGZVFWFLSA-N 1 1 378.476 3.403 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246493227 1433620662 /nfs/dbraw/zinc/62/06/62/1433620662.db2.gz PMDKGZIWGQBFLR-JFIYKMOQSA-N 1 1 388.537 3.265 20 30 GGEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000246551061 1433629734 /nfs/dbraw/zinc/62/97/34/1433629734.db2.gz GWAHPIXBOIDPGC-PKOBYXMFSA-N 1 1 379.460 3.287 20 30 GGEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000246551049 1433629924 /nfs/dbraw/zinc/62/99/24/1433629924.db2.gz GWAHPIXBOIDPGC-HKUYNNGSSA-N 1 1 379.460 3.287 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCC[C@H]1O ZINC000246575181 1433633713 /nfs/dbraw/zinc/63/37/13/1433633713.db2.gz LZFXDNMXSHVKFJ-RHSMWYFYSA-N 1 1 375.538 3.310 20 30 GGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246585799 1433634980 /nfs/dbraw/zinc/63/49/80/1433634980.db2.gz SNBNVDDWBUUILR-DWLFOUALSA-N 1 1 381.520 3.437 20 30 GGEDMO COC(=O)[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000246599059 1433637285 /nfs/dbraw/zinc/63/72/85/1433637285.db2.gz XHASJKNPLYAVHN-BULFRSBZSA-N 1 1 377.488 3.415 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000246668120 1433647378 /nfs/dbraw/zinc/64/73/78/1433647378.db2.gz TXAMNRXDPMJKRK-CMKODMSKSA-N 1 1 387.524 3.035 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1C#N ZINC000246687120 1433650118 /nfs/dbraw/zinc/65/01/18/1433650118.db2.gz MDSYUUTUZOUNTI-HNAYVOBHSA-N 1 1 380.492 3.140 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246697742 1433651509 /nfs/dbraw/zinc/65/15/09/1433651509.db2.gz DOCXQRZOUVRKLK-PXNSSMCTSA-N 1 1 389.565 3.045 20 30 GGEDMO C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000246736407 1433657778 /nfs/dbraw/zinc/65/77/78/1433657778.db2.gz NSROQRXBDPHVQX-WMZOPIPTSA-N 1 1 391.487 3.096 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246743120 1433658652 /nfs/dbraw/zinc/65/86/52/1433658652.db2.gz PPJWQPCAJXADMK-IAGOWNOFSA-N 1 1 398.536 3.023 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246743120 1433658653 /nfs/dbraw/zinc/65/86/53/1433658653.db2.gz PPJWQPCAJXADMK-IAGOWNOFSA-N 1 1 398.536 3.023 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246781212 1433665309 /nfs/dbraw/zinc/66/53/09/1433665309.db2.gz QBTZKXMGHKTHOY-MJGOQNOKSA-N 1 1 375.538 3.142 20 30 GGEDMO CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000246789954 1433667109 /nfs/dbraw/zinc/66/71/09/1433667109.db2.gz PKORVZJBMQNACN-LEWJYISDSA-N 1 1 383.540 3.359 20 30 GGEDMO C[C@H](O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000246805681 1433670322 /nfs/dbraw/zinc/67/03/22/1433670322.db2.gz SYCVCHSPDRABQR-SOUVJXGZSA-N 1 1 375.538 3.308 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)C2=O)cc1 ZINC000246814100 1433672265 /nfs/dbraw/zinc/67/22/65/1433672265.db2.gz NKDJKMXRFHEIBA-BHIFYINESA-N 1 1 393.462 3.391 20 30 GGEDMO N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247204648 1433690988 /nfs/dbraw/zinc/69/09/88/1433690988.db2.gz WNAHDAPDZRJFFC-LEWJYISDSA-N 1 1 395.528 3.233 20 30 GGEDMO CN(C(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)C1(C#N)CCCCC1 ZINC000247232568 1433694259 /nfs/dbraw/zinc/69/42/59/1433694259.db2.gz SFCUDNLGZJEZJM-DLBZAZTESA-N 1 1 375.538 3.321 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000247241123 1433695670 /nfs/dbraw/zinc/69/56/70/1433695670.db2.gz TUBCWHVAYNOYHI-TZIWHRDSSA-N 1 1 383.536 3.441 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000247241123 1433695674 /nfs/dbraw/zinc/69/56/74/1433695674.db2.gz TUBCWHVAYNOYHI-TZIWHRDSSA-N 1 1 383.536 3.441 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000247304844 1433702944 /nfs/dbraw/zinc/70/29/44/1433702944.db2.gz UZWLMASPQCXTKI-MAUKXSAKSA-N 1 1 386.565 3.243 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000247640574 1433742003 /nfs/dbraw/zinc/74/20/03/1433742003.db2.gz HARSLMQLZUSBAO-GOTSBHOMSA-N 1 1 394.563 3.247 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000247640574 1433742012 /nfs/dbraw/zinc/74/20/12/1433742012.db2.gz HARSLMQLZUSBAO-GOTSBHOMSA-N 1 1 394.563 3.247 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@H+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000247640574 1433742014 /nfs/dbraw/zinc/74/20/14/1433742014.db2.gz HARSLMQLZUSBAO-GOTSBHOMSA-N 1 1 394.563 3.247 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)CC[C@H]21 ZINC000247943314 1433758005 /nfs/dbraw/zinc/75/80/05/1433758005.db2.gz DEICKYMOZZTESN-YLJYHZDGSA-N 1 1 379.460 3.287 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000248121925 1433770948 /nfs/dbraw/zinc/77/09/48/1433770948.db2.gz NMMTYHNFCBIKBK-FXAWDEMLSA-N 1 1 388.943 3.311 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248124440 1433771236 /nfs/dbraw/zinc/77/12/36/1433771236.db2.gz NTSMAQXLNQDUNN-XJUOHMSHSA-N 1 1 382.552 3.027 20 30 GGEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]1C ZINC000248333591 1433786871 /nfs/dbraw/zinc/78/68/71/1433786871.db2.gz FUOUHHZYVNDXNX-IKGGRYGDSA-N 1 1 384.524 3.086 20 30 GGEDMO C[C@@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000248376435 1433789706 /nfs/dbraw/zinc/78/97/06/1433789706.db2.gz CNXVGMXBCNDQOQ-QGZVFWFLSA-N 1 1 382.533 3.005 20 30 GGEDMO COC(=O)[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000248426290 1433801874 /nfs/dbraw/zinc/80/18/74/1433801874.db2.gz MPGDAMFEXGIOAR-FCHUYYIVSA-N 1 1 377.488 3.273 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2O[C@@H](C)C#N)[C@@H](C)C1 ZINC000248521397 1433806606 /nfs/dbraw/zinc/80/66/06/1433806606.db2.gz BMELENCQHIHDSY-BZSNNMDCSA-N 1 1 388.512 3.236 20 30 GGEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000248531884 1433807151 /nfs/dbraw/zinc/80/71/51/1433807151.db2.gz PNLZIWTZLGGXFU-UYAOXDASSA-N 1 1 382.460 3.152 20 30 GGEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248624770 1433812073 /nfs/dbraw/zinc/81/20/73/1433812073.db2.gz NNFDQNSRTONOMJ-QUCCMNQESA-N 1 1 383.492 3.107 20 30 GGEDMO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248624770 1433812074 /nfs/dbraw/zinc/81/20/74/1433812074.db2.gz NNFDQNSRTONOMJ-QUCCMNQESA-N 1 1 383.492 3.107 20 30 GGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248624766 1433812091 /nfs/dbraw/zinc/81/20/91/1433812091.db2.gz NNFDQNSRTONOMJ-ICSRJNTNSA-N 1 1 383.492 3.107 20 30 GGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248624766 1433812092 /nfs/dbraw/zinc/81/20/92/1433812092.db2.gz NNFDQNSRTONOMJ-ICSRJNTNSA-N 1 1 383.492 3.107 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(OC)c1 ZINC000248781258 1433822174 /nfs/dbraw/zinc/82/21/74/1433822174.db2.gz WUEWYFDZXRSFFU-YKSBVNFPSA-N 1 1 395.499 3.295 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248793280 1433822843 /nfs/dbraw/zinc/82/28/43/1433822843.db2.gz YHZAHPOHHLFYSC-MBSDFSHPSA-N 1 1 375.472 3.453 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248793280 1433822844 /nfs/dbraw/zinc/82/28/44/1433822844.db2.gz YHZAHPOHHLFYSC-MBSDFSHPSA-N 1 1 375.472 3.453 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000248856263 1433826120 /nfs/dbraw/zinc/82/61/20/1433826120.db2.gz OAVWVAQUCSOLFI-GOSISDBHSA-N 1 1 385.895 3.164 20 30 GGEDMO C[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248894896 1433828295 /nfs/dbraw/zinc/82/82/95/1433828295.db2.gz IPJYQJRIPBGXHN-DLBZAZTESA-N 1 1 384.524 3.088 20 30 GGEDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248894896 1433828296 /nfs/dbraw/zinc/82/82/96/1433828296.db2.gz IPJYQJRIPBGXHN-DLBZAZTESA-N 1 1 384.524 3.088 20 30 GGEDMO N#Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1O ZINC000249038409 1433832953 /nfs/dbraw/zinc/83/29/53/1433832953.db2.gz COOVIRNYQCCLCQ-LEWJYISDSA-N 1 1 375.472 3.391 20 30 GGEDMO C=C(C)[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000249074342 1433833982 /nfs/dbraw/zinc/83/39/82/1433833982.db2.gz MRZGAZJFEKUCHW-KSSFIOAISA-N 1 1 381.467 3.069 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)C2=O)cc1 ZINC000249102328 1433835399 /nfs/dbraw/zinc/83/53/99/1433835399.db2.gz FKOZJFAMTHFYQT-RXVVDRJESA-N 1 1 388.471 3.014 20 30 GGEDMO C[C@H](O)C[N@H+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000249219004 1433839231 /nfs/dbraw/zinc/83/92/31/1433839231.db2.gz FRHAKYGQNYPOFH-RTWAWAEBSA-N 1 1 377.532 3.273 20 30 GGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000249417759 1433843302 /nfs/dbraw/zinc/84/33/02/1433843302.db2.gz GTNYBDUTEZMANO-SQGPQFPESA-N 1 1 398.551 3.476 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000249483976 1433844846 /nfs/dbraw/zinc/84/48/46/1433844846.db2.gz UBRAWHZNRSZMKE-CYGODWOOSA-N 1 1 376.504 3.243 20 30 GGEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000250080326 1433854215 /nfs/dbraw/zinc/85/42/15/1433854215.db2.gz IFIDYYQWCKFURD-JTDSTZFVSA-N 1 1 394.437 3.157 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000250080326 1433854217 /nfs/dbraw/zinc/85/42/17/1433854217.db2.gz IFIDYYQWCKFURD-JTDSTZFVSA-N 1 1 394.437 3.157 20 30 GGEDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000250525690 1433856555 /nfs/dbraw/zinc/85/65/55/1433856555.db2.gz QIFRACGXHGXAKT-WOJBJXKFSA-N 1 1 398.551 3.177 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000250997549 1433857555 /nfs/dbraw/zinc/85/75/55/1433857555.db2.gz XILCRSYGSBHVFX-WIYYLYMNSA-N 1 1 393.535 3.298 20 30 GGEDMO C=CCN(CCOC)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000250978372 1433857581 /nfs/dbraw/zinc/85/75/81/1433857581.db2.gz VMPZOJUSBAVJBT-MAUKXSAKSA-N 1 1 383.895 3.316 20 30 GGEDMO C=C(C)[C@H](NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000251682773 1433859667 /nfs/dbraw/zinc/85/96/67/1433859667.db2.gz NSELEZCBKVULTO-YWZLYKJASA-N 1 1 393.478 3.477 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000253359844 1433866178 /nfs/dbraw/zinc/86/61/78/1433866178.db2.gz NMGIOLKZCHVDOR-XUVXKRRUSA-N 1 1 398.551 3.339 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C=NOC)cc1 ZINC000255302324 1433879784 /nfs/dbraw/zinc/87/97/84/1433879784.db2.gz WXIVCVDRARWVRL-NRFANRHFSA-N 1 1 395.503 3.499 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C=NOC)cc1 ZINC000255577620 1433885825 /nfs/dbraw/zinc/88/58/25/1433885825.db2.gz QKRSLSWHIACYPY-NRFANRHFSA-N 1 1 380.492 3.189 20 30 GGEDMO C[C@@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000255712223 1433888384 /nfs/dbraw/zinc/88/83/84/1433888384.db2.gz WJDDLXQURHQKOY-CQSZACIVSA-N 1 1 389.402 3.179 20 30 GGEDMO O=C1[C@H](O[NH+]=Cc2ccc(N3CCOCC3)cc2)CCN1c1cccc(Cl)c1 ZINC000255756045 1433888992 /nfs/dbraw/zinc/88/89/92/1433888992.db2.gz QHYZVQDSQCSJGY-HXUWFJFHSA-N 1 1 399.878 3.333 20 30 GGEDMO CCc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000261677782 1433898905 /nfs/dbraw/zinc/89/89/05/1433898905.db2.gz LESORKFJJQNVQS-SFHVURJKSA-N 1 1 389.908 3.109 20 30 GGEDMO [NH2+]=C(NC[C@H]1CCCN1Cc1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000262534227 1433942573 /nfs/dbraw/zinc/94/25/73/1433942573.db2.gz OXICQFJZGXTYAY-LJQANCHMSA-N 1 1 380.492 3.239 20 30 GGEDMO C[NH+]=C(NCC1(c2cccc(OC)c2)CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262783460 1433956044 /nfs/dbraw/zinc/95/60/44/1433956044.db2.gz LYNVNFHAEPWIAN-HXUWFJFHSA-N 1 1 382.552 3.029 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1C ZINC000263663598 1434017019 /nfs/dbraw/zinc/01/70/19/1434017019.db2.gz BFXMBUBLYFXZHH-HXUWFJFHSA-N 1 1 398.551 3.034 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1C ZINC000263663598 1434017023 /nfs/dbraw/zinc/01/70/23/1434017023.db2.gz BFXMBUBLYFXZHH-HXUWFJFHSA-N 1 1 398.551 3.034 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC#Cc1ccccc1 ZINC000263694791 1434022035 /nfs/dbraw/zinc/02/20/35/1434022035.db2.gz LSSOGYWNPAFHCQ-JOCHJYFZSA-N 1 1 376.504 3.129 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000263698500 1434022641 /nfs/dbraw/zinc/02/26/41/1434022641.db2.gz IEEWLTDCYUDOLT-ZWKOTPCHSA-N 1 1 391.581 3.280 20 30 GGEDMO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000263726147 1434025800 /nfs/dbraw/zinc/02/58/00/1434025800.db2.gz PBXDDPXMQYRJJI-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000263726147 1434025801 /nfs/dbraw/zinc/02/58/01/1434025801.db2.gz PBXDDPXMQYRJJI-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO C=C(C)CN(CC)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000263958600 1434053451 /nfs/dbraw/zinc/05/34/51/1434053451.db2.gz HDRCXWNIVBEYCI-UHFFFAOYSA-N 1 1 389.540 3.284 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000263995994 1434059292 /nfs/dbraw/zinc/05/92/92/1434059292.db2.gz PPKKGJKFGOPDRR-NRFANRHFSA-N 1 1 375.472 3.159 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000263995994 1434059295 /nfs/dbraw/zinc/05/92/95/1434059295.db2.gz PPKKGJKFGOPDRR-NRFANRHFSA-N 1 1 375.472 3.159 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000263995995 1434059415 /nfs/dbraw/zinc/05/94/15/1434059415.db2.gz PPKKGJKFGOPDRR-OAQYLSRUSA-N 1 1 375.472 3.159 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000263995995 1434059418 /nfs/dbraw/zinc/05/94/18/1434059418.db2.gz PPKKGJKFGOPDRR-OAQYLSRUSA-N 1 1 375.472 3.159 20 30 GGEDMO CCN1CC[NH+](CCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000264023893 1434063286 /nfs/dbraw/zinc/06/32/86/1434063286.db2.gz KGSFTEMHPDSZJY-UHFFFAOYSA-N 1 1 392.503 3.108 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4c(s3)CCOC4)CC2)cc1 ZINC000264048990 1434066275 /nfs/dbraw/zinc/06/62/75/1434066275.db2.gz AUWCJFCZVRJABB-UHFFFAOYSA-N 1 1 381.501 3.041 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4c(s3)CCOC4)CC2)cc1 ZINC000264048990 1434066278 /nfs/dbraw/zinc/06/62/78/1434066278.db2.gz AUWCJFCZVRJABB-UHFFFAOYSA-N 1 1 381.501 3.041 20 30 GGEDMO COC(=O)Nc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000264061817 1434067841 /nfs/dbraw/zinc/06/78/41/1434067841.db2.gz CXTSLICPHNHFCG-UHFFFAOYSA-N 1 1 392.459 3.085 20 30 GGEDMO COC(=O)Nc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000264061817 1434067844 /nfs/dbraw/zinc/06/78/44/1434067844.db2.gz CXTSLICPHNHFCG-UHFFFAOYSA-N 1 1 392.459 3.085 20 30 GGEDMO COc1ccc(CNC(=[NH2+])NC[C@H](c2cccs2)N2CCCC2)cc1OC ZINC000264107261 1434072213 /nfs/dbraw/zinc/07/22/13/1434072213.db2.gz NZUUTRPPMMZUJX-MRXNPFEDSA-N 1 1 388.537 3.007 20 30 GGEDMO COc1ccc(CNC(=[NH2+])NC[C@@H](c2cccs2)N2CCCC2)cc1OC ZINC000264107256 1434072298 /nfs/dbraw/zinc/07/22/98/1434072298.db2.gz NZUUTRPPMMZUJX-INIZCTEOSA-N 1 1 388.537 3.007 20 30 GGEDMO CCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1O ZINC000264172694 1434078363 /nfs/dbraw/zinc/07/83/63/1434078363.db2.gz ZRXLHQFNKSJDKR-QGZVFWFLSA-N 1 1 390.443 3.129 20 30 GGEDMO CCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1O ZINC000264172694 1434078364 /nfs/dbraw/zinc/07/83/64/1434078364.db2.gz ZRXLHQFNKSJDKR-QGZVFWFLSA-N 1 1 390.443 3.129 20 30 GGEDMO C=C(C)COc1cc(C[NH2+]C[C@@H](C)CN2CCN(CC)CC2)ccc1OC ZINC000264380662 1434104917 /nfs/dbraw/zinc/10/49/17/1434104917.db2.gz OIFOVSXVSHKBGK-LJQANCHMSA-N 1 1 375.557 3.013 20 30 GGEDMO COc1ccc(C[NH2+]CC2(N3CCCC3)CCOCC2)cc1OCCCC#N ZINC000264390259 1434106196 /nfs/dbraw/zinc/10/61/96/1434106196.db2.gz RRIAZCFFQRAYJH-UHFFFAOYSA-N 1 1 387.524 3.112 20 30 GGEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000264396814 1434107101 /nfs/dbraw/zinc/10/71/01/1434107101.db2.gz YJMKWQCZKQMRPH-QGZVFWFLSA-N 1 1 393.491 3.108 20 30 GGEDMO COCCC[N@H+](CCOC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000264490158 1434119480 /nfs/dbraw/zinc/11/94/80/1434119480.db2.gz SKNJLNBGURMLBS-INIZCTEOSA-N 1 1 379.526 3.004 20 30 GGEDMO COCCC[N@@H+](CCOC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000264490158 1434119482 /nfs/dbraw/zinc/11/94/82/1434119482.db2.gz SKNJLNBGURMLBS-INIZCTEOSA-N 1 1 379.526 3.004 20 30 GGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1 ZINC000264733903 1434149734 /nfs/dbraw/zinc/14/97/34/1434149734.db2.gz QOFUCLJVSAGMPM-QGZVFWFLSA-N 1 1 386.540 3.225 20 30 GGEDMO Cn1ccnc1[C@](O)(C[NH2+]Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000264932886 1434165592 /nfs/dbraw/zinc/16/55/92/1434165592.db2.gz BREGEQVGXSRLEH-CYBMUJFWSA-N 1 1 385.283 3.118 20 30 GGEDMO N#CCOc1ccc(Cc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000264973145 1434170110 /nfs/dbraw/zinc/17/01/10/1434170110.db2.gz FWWDPBKJFOWOEU-UHFFFAOYSA-N 1 1 390.443 3.062 20 30 GGEDMO COc1cc(F)c([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000265129350 1434188255 /nfs/dbraw/zinc/18/82/55/1434188255.db2.gz GMFXBAHSRSARID-UGSOOPFHSA-N 1 1 383.423 3.171 20 30 GGEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1OC ZINC000265150030 1434190553 /nfs/dbraw/zinc/19/05/53/1434190553.db2.gz BEABIFRPIDSHHW-MJGOQNOKSA-N 1 1 390.524 3.127 20 30 GGEDMO COC1CCC([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000265194091 1434197282 /nfs/dbraw/zinc/19/72/82/1434197282.db2.gz IANNYNUEDVKGQA-UHFFFAOYSA-N 1 1 398.507 3.446 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000265425084 1434232847 /nfs/dbraw/zinc/23/28/47/1434232847.db2.gz CDTZTXVKJZKZQN-UHFFFAOYSA-N 1 1 385.471 3.296 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000265425084 1434232850 /nfs/dbraw/zinc/23/28/50/1434232850.db2.gz CDTZTXVKJZKZQN-UHFFFAOYSA-N 1 1 385.471 3.296 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265656122 1434253842 /nfs/dbraw/zinc/25/38/42/1434253842.db2.gz QKYILPDTKMAEAE-LJQANCHMSA-N 1 1 398.551 3.281 20 30 GGEDMO COC[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 ZINC000265757012 1434262830 /nfs/dbraw/zinc/26/28/30/1434262830.db2.gz GJVGVAKCDSLWGJ-GOSISDBHSA-N 1 1 398.482 3.071 20 30 GGEDMO COC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 ZINC000265757012 1434262831 /nfs/dbraw/zinc/26/28/31/1434262831.db2.gz GJVGVAKCDSLWGJ-GOSISDBHSA-N 1 1 398.482 3.071 20 30 GGEDMO COC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 ZINC000265757014 1434262876 /nfs/dbraw/zinc/26/28/76/1434262876.db2.gz GJVGVAKCDSLWGJ-SFHVURJKSA-N 1 1 398.482 3.071 20 30 GGEDMO COC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C1 ZINC000265757014 1434262878 /nfs/dbraw/zinc/26/28/78/1434262878.db2.gz GJVGVAKCDSLWGJ-SFHVURJKSA-N 1 1 398.482 3.071 20 30 GGEDMO COC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000265791995 1434265451 /nfs/dbraw/zinc/26/54/51/1434265451.db2.gz MLTJOKAVURMOIL-INIZCTEOSA-N 1 1 384.455 3.012 20 30 GGEDMO COC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000265791995 1434265453 /nfs/dbraw/zinc/26/54/53/1434265453.db2.gz MLTJOKAVURMOIL-INIZCTEOSA-N 1 1 384.455 3.012 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265848146 1434272193 /nfs/dbraw/zinc/27/21/93/1434272193.db2.gz PEJFNCLNDLHUJV-INMHGKMJSA-N 1 1 386.496 3.120 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265848146 1434272196 /nfs/dbraw/zinc/27/21/96/1434272196.db2.gz PEJFNCLNDLHUJV-INMHGKMJSA-N 1 1 386.496 3.120 20 30 GGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265876431 1434276801 /nfs/dbraw/zinc/27/68/01/1434276801.db2.gz WZBIIPDZAUESTE-YJBOKZPZSA-N 1 1 386.496 3.122 20 30 GGEDMO N#C[C@@H](C(=O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000265982385 1434291982 /nfs/dbraw/zinc/29/19/82/1434291982.db2.gz FWWAISUZOVITED-HKUYNNGSSA-N 1 1 386.455 3.076 20 30 GGEDMO N#C[C@@H](C(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000265982385 1434291983 /nfs/dbraw/zinc/29/19/83/1434291983.db2.gz FWWAISUZOVITED-HKUYNNGSSA-N 1 1 386.455 3.076 20 30 GGEDMO CC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266046100 1434299205 /nfs/dbraw/zinc/29/92/05/1434299205.db2.gz XMERRLNWJFSFNT-HKUYNNGSSA-N 1 1 388.471 3.465 20 30 GGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266046100 1434299206 /nfs/dbraw/zinc/29/92/06/1434299206.db2.gz XMERRLNWJFSFNT-HKUYNNGSSA-N 1 1 388.471 3.465 20 30 GGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000266148341 1434306900 /nfs/dbraw/zinc/30/69/00/1434306900.db2.gz MZVGDWOLNLBUSN-IBGZPJMESA-N 1 1 384.524 3.046 20 30 GGEDMO COCCOC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000266612654 1434354688 /nfs/dbraw/zinc/35/46/88/1434354688.db2.gz IIBJAGQBDLDHQI-IRXDYDNUSA-N 1 1 391.537 3.004 20 30 GGEDMO COCCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000266612654 1434354690 /nfs/dbraw/zinc/35/46/90/1434354690.db2.gz IIBJAGQBDLDHQI-IRXDYDNUSA-N 1 1 391.537 3.004 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000266725493 1434367981 /nfs/dbraw/zinc/36/79/81/1434367981.db2.gz IWAKPHIRAHDQHJ-PBHICJAKSA-N 1 1 397.479 3.343 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000266725493 1434367985 /nfs/dbraw/zinc/36/79/85/1434367985.db2.gz IWAKPHIRAHDQHJ-PBHICJAKSA-N 1 1 397.479 3.343 20 30 GGEDMO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000266725500 1434368011 /nfs/dbraw/zinc/36/80/11/1434368011.db2.gz IWAKPHIRAHDQHJ-WMLDXEAASA-N 1 1 397.479 3.343 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000266725500 1434368014 /nfs/dbraw/zinc/36/80/14/1434368014.db2.gz IWAKPHIRAHDQHJ-WMLDXEAASA-N 1 1 397.479 3.343 20 30 GGEDMO COCC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1SCC#N ZINC000266748783 1434370842 /nfs/dbraw/zinc/37/08/42/1434370842.db2.gz POSCLNAPSKZJLE-UHFFFAOYSA-N 1 1 383.517 3.432 20 30 GGEDMO COCC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1SCC#N ZINC000266748783 1434370845 /nfs/dbraw/zinc/37/08/45/1434370845.db2.gz POSCLNAPSKZJLE-UHFFFAOYSA-N 1 1 383.517 3.432 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000266988569 1434396404 /nfs/dbraw/zinc/39/64/04/1434396404.db2.gz WTYPSAACMAEYBX-FXAWDEMLSA-N 1 1 398.894 3.216 20 30 GGEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000267123880 1434408995 /nfs/dbraw/zinc/40/89/95/1434408995.db2.gz AWTYKXWRFOMLPL-CYBMUJFWSA-N 1 1 383.427 3.091 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000267123880 1434408997 /nfs/dbraw/zinc/40/89/97/1434408997.db2.gz AWTYKXWRFOMLPL-CYBMUJFWSA-N 1 1 383.427 3.091 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000267492600 1434440491 /nfs/dbraw/zinc/44/04/91/1434440491.db2.gz WLSNNPKAQUJEAW-GCJKJVERSA-N 1 1 377.488 3.158 20 30 GGEDMO C[C@H](c1cccc(N[C@@H]2CCN(c3sccc3C#N)C2=O)c1)[NH+]1CCOCC1 ZINC000267572079 1434446800 /nfs/dbraw/zinc/44/68/00/1434446800.db2.gz NXRHZLUIBMEACJ-DNVCBOLYSA-N 1 1 396.516 3.230 20 30 GGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000267637305 1434452041 /nfs/dbraw/zinc/45/20/41/1434452041.db2.gz USRRYNBLCZSECG-HHXXYDBFSA-N 1 1 386.455 3.390 20 30 GGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000267637305 1434452044 /nfs/dbraw/zinc/45/20/44/1434452044.db2.gz USRRYNBLCZSECG-HHXXYDBFSA-N 1 1 386.455 3.390 20 30 GGEDMO N#Cc1cc(F)c(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c(F)c1 ZINC000267966393 1434481969 /nfs/dbraw/zinc/48/19/69/1434481969.db2.gz NWTPDJZIUYOBOZ-UHFFFAOYSA-N 1 1 381.426 3.499 20 30 GGEDMO CCN(CCC#N)C(=O)C[NH2+]C(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000267984056 1434483771 /nfs/dbraw/zinc/48/37/71/1434483771.db2.gz HLAOZVFLSDGFNG-UHFFFAOYSA-N 1 1 381.476 3.145 20 30 GGEDMO CC1(C2CC[NH+](CC(=O)c3cn(CCC#N)c4ccccc34)CC2)OCCO1 ZINC000268204623 1434501598 /nfs/dbraw/zinc/50/15/98/1434501598.db2.gz ZDLLTBSGCFZJQL-UHFFFAOYSA-N 1 1 381.476 3.213 20 30 GGEDMO Cc1nnc([C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)[nH]1 ZINC000268498247 1434527794 /nfs/dbraw/zinc/52/77/94/1434527794.db2.gz RSGSALQVAAAACQ-AWEZNQCLSA-N 1 1 398.536 3.133 20 30 GGEDMO Cc1n[nH]c([C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000268498247 1434527796 /nfs/dbraw/zinc/52/77/96/1434527796.db2.gz RSGSALQVAAAACQ-AWEZNQCLSA-N 1 1 398.536 3.133 20 30 GGEDMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000268498247 1434527799 /nfs/dbraw/zinc/52/77/99/1434527799.db2.gz RSGSALQVAAAACQ-AWEZNQCLSA-N 1 1 398.536 3.133 20 30 GGEDMO Cc1nc([C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n[nH]1 ZINC000268498247 1434527802 /nfs/dbraw/zinc/52/78/02/1434527802.db2.gz RSGSALQVAAAACQ-AWEZNQCLSA-N 1 1 398.536 3.133 20 30 GGEDMO Cc1nc([C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n[nH]1 ZINC000268498247 1434527806 /nfs/dbraw/zinc/52/78/06/1434527806.db2.gz RSGSALQVAAAACQ-AWEZNQCLSA-N 1 1 398.536 3.133 20 30 GGEDMO C=CC[N@@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000268875318 1434566989 /nfs/dbraw/zinc/56/69/89/1434566989.db2.gz BAUGYIDBDLCMCW-SFHVURJKSA-N 1 1 378.538 3.006 20 30 GGEDMO C=CC[N@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000268875318 1434566991 /nfs/dbraw/zinc/56/69/91/1434566991.db2.gz BAUGYIDBDLCMCW-SFHVURJKSA-N 1 1 378.538 3.006 20 30 GGEDMO N#Cc1ccnc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268889419 1434567811 /nfs/dbraw/zinc/56/78/11/1434567811.db2.gz XWNWALKXRCJFNN-MOPGFXCFSA-N 1 1 377.448 3.352 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000269132624 1434595660 /nfs/dbraw/zinc/59/56/60/1434595660.db2.gz LQMAUQYXBJAQBC-WMLDXEAASA-N 1 1 378.904 3.470 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000269132621 1434595734 /nfs/dbraw/zinc/59/57/34/1434595734.db2.gz LQMAUQYXBJAQBC-PBHICJAKSA-N 1 1 378.904 3.470 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(Cl)c1 ZINC000269146804 1434597287 /nfs/dbraw/zinc/59/72/87/1434597287.db2.gz PPYQBRDESDEMFV-PKOBYXMFSA-N 1 1 398.894 3.216 20 30 GGEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000269261102 1434615118 /nfs/dbraw/zinc/61/51/18/1434615118.db2.gz DIQPPKCRTRVVFN-UHFFFAOYSA-N 1 1 391.581 3.489 20 30 GGEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)C1 ZINC000269854855 1434681608 /nfs/dbraw/zinc/68/16/08/1434681608.db2.gz SBNCDNHLPZGSDD-HNNXBMFYSA-N 1 1 387.484 3.322 20 30 GGEDMO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C#N ZINC000269866376 1434682717 /nfs/dbraw/zinc/68/27/17/1434682717.db2.gz WNOKZQDTDSAJCS-KDOFPFPSSA-N 1 1 385.468 3.075 20 30 GGEDMO C#CC[C@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000270390844 1434729340 /nfs/dbraw/zinc/72/93/40/1434729340.db2.gz HYQBNHSCNLYBMQ-QFIPXVFZSA-N 1 1 377.488 3.083 20 30 GGEDMO N#CCOc1cccc(Cc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1 ZINC000270428276 1434732181 /nfs/dbraw/zinc/73/21/81/1434732181.db2.gz ARQBWOCTZXOOGL-UHFFFAOYSA-N 1 1 390.443 3.062 20 30 GGEDMO CC(C)N1CC[NH+](C2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000270521606 1434740895 /nfs/dbraw/zinc/74/08/95/1434740895.db2.gz SGUIABXDUCQKTB-UHFFFAOYSA-N 1 1 389.931 3.234 20 30 GGEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000270821074 1434778771 /nfs/dbraw/zinc/77/87/71/1434778771.db2.gz IEVGNZDNYCRZHI-AKIFATBCSA-N 1 1 378.516 3.346 20 30 GGEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000270821079 1434778779 /nfs/dbraw/zinc/77/87/79/1434778779.db2.gz IEVGNZDNYCRZHI-PUHATCMVSA-N 1 1 378.516 3.346 20 30 GGEDMO CCCC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270992057 1434793806 /nfs/dbraw/zinc/79/38/06/1434793806.db2.gz HZEXRCDKZAWXAE-GOSISDBHSA-N 1 1 394.537 3.167 20 30 GGEDMO CCCC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270992057 1434793808 /nfs/dbraw/zinc/79/38/08/1434793808.db2.gz HZEXRCDKZAWXAE-GOSISDBHSA-N 1 1 394.537 3.167 20 30 GGEDMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC000271043215 1434798147 /nfs/dbraw/zinc/79/81/47/1434798147.db2.gz OICGFJIRYSIECX-QGZVFWFLSA-N 1 1 389.496 3.477 20 30 GGEDMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC000271043215 1434798151 /nfs/dbraw/zinc/79/81/51/1434798151.db2.gz OICGFJIRYSIECX-QGZVFWFLSA-N 1 1 389.496 3.477 20 30 GGEDMO C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000271133209 1434803908 /nfs/dbraw/zinc/80/39/08/1434803908.db2.gz VXXFVHDOKLLTBZ-KRWDZBQOSA-N 1 1 387.487 3.214 20 30 GGEDMO C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000271133209 1434803909 /nfs/dbraw/zinc/80/39/09/1434803909.db2.gz VXXFVHDOKLLTBZ-KRWDZBQOSA-N 1 1 387.487 3.214 20 30 GGEDMO C[C@@]1(CCCO)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000271189169 1434807192 /nfs/dbraw/zinc/80/71/92/1434807192.db2.gz LHXKZLSPUMJYEQ-FQEVSTJZSA-N 1 1 375.538 3.454 20 30 GGEDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)[nH]1 ZINC000271254482 1434811192 /nfs/dbraw/zinc/81/11/92/1434811192.db2.gz FLZCMWPWOACYFI-SFHVURJKSA-N 1 1 375.480 3.270 20 30 GGEDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000271254482 1434811194 /nfs/dbraw/zinc/81/11/94/1434811194.db2.gz FLZCMWPWOACYFI-SFHVURJKSA-N 1 1 375.480 3.270 20 30 GGEDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n1 ZINC000271254482 1434811195 /nfs/dbraw/zinc/81/11/95/1434811195.db2.gz FLZCMWPWOACYFI-SFHVURJKSA-N 1 1 375.480 3.270 20 30 GGEDMO Cc1nc([C@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n[nH]1 ZINC000271254482 1434811197 /nfs/dbraw/zinc/81/11/97/1434811197.db2.gz FLZCMWPWOACYFI-SFHVURJKSA-N 1 1 375.480 3.270 20 30 GGEDMO Cc1nc([C@H]2CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)n[nH]1 ZINC000271254482 1434811198 /nfs/dbraw/zinc/81/11/98/1434811198.db2.gz FLZCMWPWOACYFI-SFHVURJKSA-N 1 1 375.480 3.270 20 30 GGEDMO COCCCOCC[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000271465216 1434826883 /nfs/dbraw/zinc/82/68/83/1434826883.db2.gz BAWVPTLXWWJXQS-INIZCTEOSA-N 1 1 379.526 3.004 20 30 GGEDMO COCCCOCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000271465216 1434826886 /nfs/dbraw/zinc/82/68/86/1434826886.db2.gz BAWVPTLXWWJXQS-INIZCTEOSA-N 1 1 379.526 3.004 20 30 GGEDMO COCCCOCC[N@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000271465217 1434826950 /nfs/dbraw/zinc/82/69/50/1434826950.db2.gz BAWVPTLXWWJXQS-MRXNPFEDSA-N 1 1 379.526 3.004 20 30 GGEDMO COCCCOCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000271465217 1434826953 /nfs/dbraw/zinc/82/69/53/1434826953.db2.gz BAWVPTLXWWJXQS-MRXNPFEDSA-N 1 1 379.526 3.004 20 30 GGEDMO CC[N@H+]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000271502483 1434830140 /nfs/dbraw/zinc/83/01/40/1434830140.db2.gz FMUQSHQLQSACCW-UHFFFAOYSA-N 1 1 391.475 3.370 20 30 GGEDMO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938917 1434860588 /nfs/dbraw/zinc/86/05/88/1434860588.db2.gz KZNJNHOTDIINLR-KKSFZXQISA-N 1 1 394.494 3.245 20 30 GGEDMO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938917 1434860589 /nfs/dbraw/zinc/86/05/89/1434860589.db2.gz KZNJNHOTDIINLR-KKSFZXQISA-N 1 1 394.494 3.245 20 30 GGEDMO CC(C)C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271981049 1434863346 /nfs/dbraw/zinc/86/33/46/1434863346.db2.gz OWNBDTFJYYIMGM-FCHUYYIVSA-N 1 1 398.551 3.369 20 30 GGEDMO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1CCC#N ZINC000272036832 1434867866 /nfs/dbraw/zinc/86/78/66/1434867866.db2.gz FGGMDSHQWFWKSO-QFBILLFUSA-N 1 1 380.496 3.280 20 30 GGEDMO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1CCC#N ZINC000272036825 1434867916 /nfs/dbraw/zinc/86/79/16/1434867916.db2.gz FGGMDSHQWFWKSO-APWZRJJASA-N 1 1 380.496 3.280 20 30 GGEDMO Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272116675 1434873157 /nfs/dbraw/zinc/87/31/57/1434873157.db2.gz RLIRKZMKAXNIGO-IBGZPJMESA-N 1 1 380.496 3.091 20 30 GGEDMO C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272204617 1434877913 /nfs/dbraw/zinc/87/79/13/1434877913.db2.gz DKGJSAJSWBVVSJ-WIYYLYMNSA-N 1 1 377.488 3.158 20 30 GGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@@H]2C1 ZINC000272273444 1434883296 /nfs/dbraw/zinc/88/32/96/1434883296.db2.gz CREMEFRKTKFXON-FUHWJXTLSA-N 1 1 381.505 3.163 20 30 GGEDMO Cc1cnc(N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)s1 ZINC000272280875 1434883999 /nfs/dbraw/zinc/88/39/99/1434883999.db2.gz MQMTWTLHTHTFBS-UHFFFAOYSA-N 1 1 378.505 3.046 20 30 GGEDMO CC(C)c1nc([C@H]2CCC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000272284165 1434884232 /nfs/dbraw/zinc/88/42/32/1434884232.db2.gz GAEKUTYNDKZZMR-HKUYNNGSSA-N 1 1 393.491 3.440 20 30 GGEDMO CC(C)c1nc([C@H]2CCC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)no1 ZINC000272284165 1434884234 /nfs/dbraw/zinc/88/42/34/1434884234.db2.gz GAEKUTYNDKZZMR-HKUYNNGSSA-N 1 1 393.491 3.440 20 30 GGEDMO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000272309322 1434886272 /nfs/dbraw/zinc/88/62/72/1434886272.db2.gz FSASBCHCXXRXPI-AZUAARDMSA-N 1 1 377.529 3.157 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272363573 1434890531 /nfs/dbraw/zinc/89/05/31/1434890531.db2.gz FSVJRHNYSUTTAU-FXAWDEMLSA-N 1 1 382.508 3.059 20 30 GGEDMO CC(C)c1nc(C2CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)no1 ZINC000272375449 1434891451 /nfs/dbraw/zinc/89/14/51/1434891451.db2.gz VEQPDQYVKDENJT-IBGZPJMESA-N 1 1 393.491 3.440 20 30 GGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@@H]2C1 ZINC000272380250 1434892131 /nfs/dbraw/zinc/89/21/31/1434892131.db2.gz BRQYKYPGZJMHRP-SIKLNZKXSA-N 1 1 375.472 3.303 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272444824 1434896813 /nfs/dbraw/zinc/89/68/13/1434896813.db2.gz JAIXPEWDNNJIER-ZMSDIMECSA-N 1 1 386.496 3.120 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000272444824 1434896814 /nfs/dbraw/zinc/89/68/14/1434896814.db2.gz JAIXPEWDNNJIER-ZMSDIMECSA-N 1 1 386.496 3.120 20 30 GGEDMO Cc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272451185 1434897223 /nfs/dbraw/zinc/89/72/23/1434897223.db2.gz PQFZBSQGKPNJIQ-MJGOQNOKSA-N 1 1 380.496 3.137 20 30 GGEDMO C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272471201 1434898731 /nfs/dbraw/zinc/89/87/31/1434898731.db2.gz TUIUMVBYXWMWGW-NQIIRXRSSA-N 1 1 392.503 3.299 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000272489328 1434899916 /nfs/dbraw/zinc/89/99/16/1434899916.db2.gz MYERYLLTXXHGLU-NVXWUHKLSA-N 1 1 386.496 3.122 20 30 GGEDMO CCCCC[N@H+](CCCOC)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000272506854 1434901814 /nfs/dbraw/zinc/90/18/14/1434901814.db2.gz FNBNOBFYVZQTTR-QGZVFWFLSA-N 1 1 384.480 3.040 20 30 GGEDMO CCCCC[N@@H+](CCCOC)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000272506854 1434901815 /nfs/dbraw/zinc/90/18/15/1434901815.db2.gz FNBNOBFYVZQTTR-QGZVFWFLSA-N 1 1 384.480 3.040 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272509562 1434902135 /nfs/dbraw/zinc/90/21/35/1434902135.db2.gz WUNPZKLAKVURAL-GOSISDBHSA-N 1 1 387.491 3.334 20 30 GGEDMO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272509562 1434902137 /nfs/dbraw/zinc/90/21/37/1434902137.db2.gz WUNPZKLAKVURAL-GOSISDBHSA-N 1 1 387.491 3.334 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272509562 1434902140 /nfs/dbraw/zinc/90/21/40/1434902140.db2.gz WUNPZKLAKVURAL-GOSISDBHSA-N 1 1 387.491 3.334 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000272540140 1434905999 /nfs/dbraw/zinc/90/59/99/1434905999.db2.gz ROZRIMLIJVJMCW-RDJZCZTQSA-N 1 1 386.496 3.122 20 30 GGEDMO C=CCN(CCc1ccco1)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000272586676 1434911169 /nfs/dbraw/zinc/91/11/69/1434911169.db2.gz NHCQAKCCEHNTOJ-UHFFFAOYSA-N 1 1 383.496 3.096 20 30 GGEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c(C#N)c1C ZINC000272592773 1434912313 /nfs/dbraw/zinc/91/23/13/1434912313.db2.gz SFCVSTLASZBRLK-CQSZACIVSA-N 1 1 394.504 3.449 20 30 GGEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c(C#N)c1C ZINC000272592773 1434912314 /nfs/dbraw/zinc/91/23/14/1434912314.db2.gz SFCVSTLASZBRLK-CQSZACIVSA-N 1 1 394.504 3.449 20 30 GGEDMO C[C@](C#N)(NC(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)C1CC1 ZINC000272816119 1434933232 /nfs/dbraw/zinc/93/32/32/1434933232.db2.gz HWDGUPBQZZNKDT-PZJWPPBQSA-N 1 1 382.895 3.417 20 30 GGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000273017399 1434950479 /nfs/dbraw/zinc/95/04/79/1434950479.db2.gz KILHNMCTUUJTKN-TZIWHRDSSA-N 1 1 381.501 3.004 20 30 GGEDMO CC(C)[C@H]1C[C@H](CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273040007 1434953824 /nfs/dbraw/zinc/95/38/24/1434953824.db2.gz ZIUUJJRTJXTKCF-FGZHOGPDSA-N 1 1 383.536 3.434 20 30 GGEDMO CC(C)[C@@H]1C[C@@H](CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273040025 1434953866 /nfs/dbraw/zinc/95/38/66/1434953866.db2.gz ZIUUJJRTJXTKCF-VXKWHMMOSA-N 1 1 383.536 3.434 20 30 GGEDMO N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000273059571 1434956261 /nfs/dbraw/zinc/95/62/61/1434956261.db2.gz CWIZNOSUYMLQPI-MRXNPFEDSA-N 1 1 376.382 3.151 20 30 GGEDMO CSc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000273102123 1434961443 /nfs/dbraw/zinc/96/14/43/1434961443.db2.gz LKLQDGOYZGQTBQ-UHFFFAOYSA-N 1 1 381.505 3.415 20 30 GGEDMO CSc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000273102123 1434961448 /nfs/dbraw/zinc/96/14/48/1434961448.db2.gz LKLQDGOYZGQTBQ-UHFFFAOYSA-N 1 1 381.505 3.415 20 30 GGEDMO Cc1cc(-c2noc([C@@H](C)[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)n2)ccc1F ZINC000273314223 1434980203 /nfs/dbraw/zinc/98/02/03/1434980203.db2.gz NXGGOBGLDMPDDW-RHSMWYFYSA-N 1 1 396.422 3.146 20 30 GGEDMO Cc1cc(-c2noc([C@@H](C)[NH2+]C[C@H](O)COc3ccc(C#N)cc3)n2)ccc1F ZINC000273314218 1434980249 /nfs/dbraw/zinc/98/02/49/1434980249.db2.gz NXGGOBGLDMPDDW-PBHICJAKSA-N 1 1 396.422 3.146 20 30 GGEDMO CC[C@@H]1CN(C(=O)Nc2cc(C)n(CCC#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000273847690 1435021035 /nfs/dbraw/zinc/02/10/35/1435021035.db2.gz MYZZDKJQXFZJLS-LJQANCHMSA-N 1 1 380.496 3.234 20 30 GGEDMO Cc1cc(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nn1CCC#N ZINC000274445106 1435071652 /nfs/dbraw/zinc/07/16/52/1435071652.db2.gz UDDOYTGKBRJGGH-LJQANCHMSA-N 1 1 382.512 3.383 20 30 GGEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788823 1435092670 /nfs/dbraw/zinc/09/26/70/1435092670.db2.gz BOHAZDDEWPJURT-SVFBPWRDSA-N 1 1 382.552 3.218 20 30 GGEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788823 1435092671 /nfs/dbraw/zinc/09/26/71/1435092671.db2.gz BOHAZDDEWPJURT-SVFBPWRDSA-N 1 1 382.552 3.218 20 30 GGEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796717 1435093185 /nfs/dbraw/zinc/09/31/85/1435093185.db2.gz DHEJYKRTBLRVFC-BBTUJRGHSA-N 1 1 376.504 3.385 20 30 GGEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796717 1435093187 /nfs/dbraw/zinc/09/31/87/1435093187.db2.gz DHEJYKRTBLRVFC-BBTUJRGHSA-N 1 1 376.504 3.385 20 30 GGEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796720 1435093403 /nfs/dbraw/zinc/09/34/03/1435093403.db2.gz DHEJYKRTBLRVFC-LVCYWYKZSA-N 1 1 376.504 3.385 20 30 GGEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796720 1435093404 /nfs/dbraw/zinc/09/34/04/1435093404.db2.gz DHEJYKRTBLRVFC-LVCYWYKZSA-N 1 1 376.504 3.385 20 30 GGEDMO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000275071709 1435114330 /nfs/dbraw/zinc/11/43/30/1435114330.db2.gz AEYYYIBEDFVWGR-ZDUSSCGKSA-N 1 1 378.316 3.057 20 30 GGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)ccc1OC ZINC000275154138 1435119333 /nfs/dbraw/zinc/11/93/33/1435119333.db2.gz UQATZDZZPGGDPB-OAHLLOKOSA-N 1 1 386.414 3.151 20 30 GGEDMO CC1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1O ZINC000275396200 1435136507 /nfs/dbraw/zinc/13/65/07/1435136507.db2.gz DGBXKSOLCHNYRH-QGZVFWFLSA-N 1 1 375.538 3.310 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](O)C(C)(C)C3)sc2C1 ZINC000275414342 1435137819 /nfs/dbraw/zinc/13/78/19/1435137819.db2.gz GPLPENCEZKICKI-DYVFJYSZSA-N 1 1 375.538 3.166 20 30 GGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275991100 1435184353 /nfs/dbraw/zinc/18/43/53/1435184353.db2.gz GFEMQYHCDPPXHM-XLIONFOSSA-N 1 1 379.508 3.054 20 30 GGEDMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000277028218 1435253663 /nfs/dbraw/zinc/25/36/63/1435253663.db2.gz KAIYQNJPRTXYAE-SGWGQVFISA-N 1 1 397.519 3.226 20 30 GGEDMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000277028218 1435253667 /nfs/dbraw/zinc/25/36/67/1435253667.db2.gz KAIYQNJPRTXYAE-SGWGQVFISA-N 1 1 397.519 3.226 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277142058 1435267786 /nfs/dbraw/zinc/26/77/86/1435267786.db2.gz DWLCWSMVUYKJJT-OALUTQOASA-N 1 1 382.464 3.096 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277142058 1435267787 /nfs/dbraw/zinc/26/77/87/1435267787.db2.gz DWLCWSMVUYKJJT-OALUTQOASA-N 1 1 382.464 3.096 20 30 GGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)c2C1 ZINC000277552045 1435312381 /nfs/dbraw/zinc/31/23/81/1435312381.db2.gz OIRPTJOXTWKDSO-UHFFFAOYSA-N 1 1 388.471 3.028 20 30 GGEDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)c2C1 ZINC000277552045 1435312383 /nfs/dbraw/zinc/31/23/83/1435312383.db2.gz OIRPTJOXTWKDSO-UHFFFAOYSA-N 1 1 388.471 3.028 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277756253 1435327400 /nfs/dbraw/zinc/32/74/00/1435327400.db2.gz JUAMLASORMAZRY-ZIAGYGMSSA-N 1 1 397.445 3.339 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277756253 1435327402 /nfs/dbraw/zinc/32/74/02/1435327402.db2.gz JUAMLASORMAZRY-ZIAGYGMSSA-N 1 1 397.445 3.339 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(Cc3nc(=O)c4c(C5CC5)csc4[nH]3)no2)CC1 ZINC000277824668 1435333935 /nfs/dbraw/zinc/33/39/35/1435333935.db2.gz HUZOJFUFNASODR-UHFFFAOYSA-N 1 1 395.488 3.061 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)CC1 ZINC000277849379 1435335839 /nfs/dbraw/zinc/33/58/39/1435335839.db2.gz JHPFLFASEDLGDN-UHFFFAOYSA-N 1 1 392.381 3.082 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949202 1435345046 /nfs/dbraw/zinc/34/50/46/1435345046.db2.gz ZVVXMZVECRQQFD-LRDDRELGSA-N 1 1 389.805 3.175 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949199 1435345090 /nfs/dbraw/zinc/34/50/90/1435345090.db2.gz ZVVXMZVECRQQFD-BLLLJJGKSA-N 1 1 389.805 3.175 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(CC(=O)Nc3ccccc3C(F)(F)F)no2)CC1 ZINC000278149709 1435364487 /nfs/dbraw/zinc/36/44/87/1435364487.db2.gz URGVFZLNMVTCIU-UHFFFAOYSA-N 1 1 392.381 3.082 20 30 GGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000278208718 1435369700 /nfs/dbraw/zinc/36/97/00/1435369700.db2.gz VVPJHTOMYGXXLP-QPJJXVBHSA-N 1 1 377.444 3.376 20 30 GGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000278338604 1435381380 /nfs/dbraw/zinc/38/13/80/1435381380.db2.gz MLLVXOLLIIXRBA-UHFFFAOYSA-N 1 1 379.460 3.489 20 30 GGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278650665 1435410115 /nfs/dbraw/zinc/41/01/15/1435410115.db2.gz MISCVVQZVRBRKP-GOSISDBHSA-N 1 1 380.540 3.459 20 30 GGEDMO C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278650665 1435410118 /nfs/dbraw/zinc/41/01/18/1435410118.db2.gz MISCVVQZVRBRKP-GOSISDBHSA-N 1 1 380.540 3.459 20 30 GGEDMO COc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1OCCCC#N ZINC000278683786 1435413883 /nfs/dbraw/zinc/41/38/83/1435413883.db2.gz OAGMVQWCHBNREJ-GOSISDBHSA-N 1 1 387.524 3.063 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(NCC4CC4)nc3)CC2)cc1 ZINC000278717430 1435416647 /nfs/dbraw/zinc/41/66/47/1435416647.db2.gz SMRAAOFKJUGJIG-UHFFFAOYSA-N 1 1 389.503 3.123 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(NCC4CC4)nc3)CC2)cc1 ZINC000278717430 1435416648 /nfs/dbraw/zinc/41/66/48/1435416648.db2.gz SMRAAOFKJUGJIG-UHFFFAOYSA-N 1 1 389.503 3.123 20 30 GGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278833803 1435428913 /nfs/dbraw/zinc/42/89/13/1435428913.db2.gz AFHWIRMTKLSQSP-SFHVURJKSA-N 1 1 395.507 3.412 20 30 GGEDMO Cc1oc(NC(=O)CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C#N)c1C ZINC000278883746 1435435232 /nfs/dbraw/zinc/43/52/32/1435435232.db2.gz NKNNBEVWBWPEAP-UHFFFAOYSA-N 1 1 381.480 3.119 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278918009 1435439710 /nfs/dbraw/zinc/43/97/10/1435439710.db2.gz REQDTJVASNANKD-INIZCTEOSA-N 1 1 377.492 3.298 20 30 GGEDMO N#Cc1cccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)on2)c1 ZINC000279001929 1435450668 /nfs/dbraw/zinc/45/06/68/1435450668.db2.gz RPNLVCLOTOHKLB-GOSISDBHSA-N 1 1 376.416 3.373 20 30 GGEDMO COc1ccc(OCC[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000279342082 1435488686 /nfs/dbraw/zinc/48/86/86/1435488686.db2.gz FEVUMPMFOKOGIP-UHFFFAOYSA-N 1 1 391.475 3.378 20 30 GGEDMO N#CCCn1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345808 1435488963 /nfs/dbraw/zinc/48/89/63/1435488963.db2.gz FNLZHZMXANQBII-UGKGYDQZSA-N 1 1 390.535 3.307 20 30 GGEDMO N#CCCn1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345792 1435489067 /nfs/dbraw/zinc/48/90/67/1435489067.db2.gz FNLZHZMXANQBII-DENIHFKCSA-N 1 1 390.535 3.307 20 30 GGEDMO N#CCCn1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345803 1435489135 /nfs/dbraw/zinc/48/91/35/1435489135.db2.gz FNLZHZMXANQBII-SIKLNZKXSA-N 1 1 390.535 3.307 20 30 GGEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1COc2ccccc2O1 ZINC000279356510 1435490540 /nfs/dbraw/zinc/49/05/40/1435490540.db2.gz GVBJRXYDTKEAFJ-LJQANCHMSA-N 1 1 389.459 3.131 20 30 GGEDMO C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000279404542 1435495900 /nfs/dbraw/zinc/49/59/00/1435495900.db2.gz HJANACBVTINNEG-TZIWHRDSSA-N 1 1 393.535 3.101 20 30 GGEDMO C=C[C@@](C)(O)CC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279413422 1435496562 /nfs/dbraw/zinc/49/65/62/1435496562.db2.gz KRBGWTCZKWWMIK-IEBWSBKVSA-N 1 1 384.442 3.227 20 30 GGEDMO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1n1ccnc1 ZINC000279490798 1435505240 /nfs/dbraw/zinc/50/52/40/1435505240.db2.gz XYSHYDDCBGBBKT-FXAWDEMLSA-N 1 1 375.480 3.138 20 30 GGEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000279578388 1435514894 /nfs/dbraw/zinc/51/48/94/1435514894.db2.gz UIENTBOYOVPGRQ-SFHVURJKSA-N 1 1 399.564 3.022 20 30 GGEDMO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000279697974 1435531085 /nfs/dbraw/zinc/53/10/85/1435531085.db2.gz JACLVSDCUZKZCJ-WOJBJXKFSA-N 1 1 376.460 3.177 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@](C)(O)CC3)sc2C1 ZINC000280086657 1435589813 /nfs/dbraw/zinc/58/98/13/1435589813.db2.gz OFAIAVIBTXDTTN-VLIAUNLRSA-N 1 1 375.538 3.310 20 30 GGEDMO C=C(C)C[NH+]1CCC(N[C@@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000280181468 1435604542 /nfs/dbraw/zinc/60/45/42/1435604542.db2.gz AFDVOGAKGFFXAQ-SFHVURJKSA-N 1 1 399.988 3.329 20 30 GGEDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000280337061 1435638989 /nfs/dbraw/zinc/63/89/89/1435638989.db2.gz ICELURAMGYUOAT-IBGZPJMESA-N 1 1 382.426 3.064 20 30 GGEDMO Cc1cccc(CC2(O)CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000280344238 1435641021 /nfs/dbraw/zinc/64/10/21/1435641021.db2.gz IOQOODTUUPFEDP-GOSISDBHSA-N 1 1 377.488 3.263 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC2(CCOCC2)O1 ZINC000280382831 1435649383 /nfs/dbraw/zinc/64/93/83/1435649383.db2.gz FPCWZVMASDLLJZ-GOSISDBHSA-N 1 1 380.492 3.234 20 30 GGEDMO Cc1cccc(CC2(O)CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)c1 ZINC000280539872 1435676060 /nfs/dbraw/zinc/67/60/60/1435676060.db2.gz PREZFBJFNQRCSV-UHFFFAOYSA-N 1 1 388.471 3.486 20 30 GGEDMO COC(=O)c1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)sc1C ZINC000280544390 1435676697 /nfs/dbraw/zinc/67/66/97/1435676697.db2.gz TWMWKZRDHUIZBB-MRXNPFEDSA-N 1 1 398.488 3.276 20 30 GGEDMO COC(=O)c1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)sc1C ZINC000280544390 1435676698 /nfs/dbraw/zinc/67/66/98/1435676698.db2.gz TWMWKZRDHUIZBB-MRXNPFEDSA-N 1 1 398.488 3.276 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280703200 1435706206 /nfs/dbraw/zinc/70/62/06/1435706206.db2.gz AQBUXBONKUYNQB-KDOFPFPSSA-N 1 1 384.867 3.225 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280703200 1435706216 /nfs/dbraw/zinc/70/62/16/1435706216.db2.gz AQBUXBONKUYNQB-KDOFPFPSSA-N 1 1 384.867 3.225 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280703203 1435706307 /nfs/dbraw/zinc/70/63/07/1435706307.db2.gz AQBUXBONKUYNQB-KSSFIOAISA-N 1 1 384.867 3.225 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280703203 1435706313 /nfs/dbraw/zinc/70/63/13/1435706313.db2.gz AQBUXBONKUYNQB-KSSFIOAISA-N 1 1 384.867 3.225 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280726300 1435710086 /nfs/dbraw/zinc/71/00/86/1435710086.db2.gz CPEJQBXOVMLCTG-GHTZIAJQSA-N 1 1 378.476 3.008 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280726300 1435710094 /nfs/dbraw/zinc/71/00/94/1435710094.db2.gz CPEJQBXOVMLCTG-GHTZIAJQSA-N 1 1 378.476 3.008 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280726309 1435710275 /nfs/dbraw/zinc/71/02/75/1435710275.db2.gz CPEJQBXOVMLCTG-RXVVDRJESA-N 1 1 378.476 3.008 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280726309 1435710281 /nfs/dbraw/zinc/71/02/81/1435710281.db2.gz CPEJQBXOVMLCTG-RXVVDRJESA-N 1 1 378.476 3.008 20 30 GGEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000280936834 1435744504 /nfs/dbraw/zinc/74/45/04/1435744504.db2.gz WHAJTZFIUGLWNI-OAQYLSRUSA-N 1 1 390.462 3.114 20 30 GGEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000280936834 1435744509 /nfs/dbraw/zinc/74/45/09/1435744509.db2.gz WHAJTZFIUGLWNI-OAQYLSRUSA-N 1 1 390.462 3.114 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280976336 1435750324 /nfs/dbraw/zinc/75/03/24/1435750324.db2.gz RXWXTOJDVMMPIS-QIJUGHKUSA-N 1 1 378.520 3.354 20 30 GGEDMO CNC(=O)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(C(F)(F)F)c1 ZINC000281140540 1435783011 /nfs/dbraw/zinc/78/30/11/1435783011.db2.gz AQOVMUINRRBQGG-UHFFFAOYSA-N 1 1 397.441 3.354 20 30 GGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)c2)c1 ZINC000281294001 1435802772 /nfs/dbraw/zinc/80/27/72/1435802772.db2.gz PGMIPWNMRCKJNF-CTNGQTDRSA-N 1 1 377.444 3.068 20 30 GGEDMO N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)n2)c1 ZINC000281333393 1435804261 /nfs/dbraw/zinc/80/42/61/1435804261.db2.gz SCBMLRPYOIXYKX-OAQYLSRUSA-N 1 1 399.498 3.038 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000281352868 1435805116 /nfs/dbraw/zinc/80/51/16/1435805116.db2.gz DQDIUNJSHRIPJA-WWMYMODYSA-N 1 1 399.535 3.083 20 30 GGEDMO C[N@H+]1CCN(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1(C)C ZINC000281688582 1435818544 /nfs/dbraw/zinc/81/85/44/1435818544.db2.gz FXDMHXWSOZKCIG-UHFFFAOYSA-N 1 1 392.503 3.106 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000281698835 1435818786 /nfs/dbraw/zinc/81/87/86/1435818786.db2.gz NQUKMBTTYCTBKL-NRFANRHFSA-N 1 1 384.501 3.163 20 30 GGEDMO COC(=O)C[N@H+](CCCC1(C#N)CCOCC1)Cc1cc(Cl)ccc1O ZINC000282039368 1435832081 /nfs/dbraw/zinc/83/20/81/1435832081.db2.gz QSRFJBGFXVRVPH-UHFFFAOYSA-N 1 1 380.872 3.121 20 30 GGEDMO COC(=O)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cc(Cl)ccc1O ZINC000282039368 1435832082 /nfs/dbraw/zinc/83/20/82/1435832082.db2.gz QSRFJBGFXVRVPH-UHFFFAOYSA-N 1 1 380.872 3.121 20 30 GGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[C@@H](C)C1 ZINC000282048945 1435832599 /nfs/dbraw/zinc/83/25/99/1435832599.db2.gz AYYBNYJNACAWNN-WMLDXEAASA-N 1 1 384.480 3.056 20 30 GGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[C@@H](C)C1 ZINC000282048945 1435832600 /nfs/dbraw/zinc/83/26/00/1435832600.db2.gz AYYBNYJNACAWNN-WMLDXEAASA-N 1 1 384.480 3.056 20 30 GGEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000282172259 1435837296 /nfs/dbraw/zinc/83/72/96/1435837296.db2.gz DUPURFDNUNJYPH-FPOVZHCZSA-N 1 1 388.519 3.456 20 30 GGEDMO COc1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1OCCCC#N ZINC000282249105 1435840084 /nfs/dbraw/zinc/84/00/84/1435840084.db2.gz GLXPWLRHVARFPR-QFIPXVFZSA-N 1 1 382.460 3.138 20 30 GGEDMO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000282258959 1435840475 /nfs/dbraw/zinc/84/04/75/1435840475.db2.gz LLBPDNQJJACJPF-HXUWFJFHSA-N 1 1 383.540 3.349 20 30 GGEDMO COc1cc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)ccc1C#N ZINC000282281037 1435841438 /nfs/dbraw/zinc/84/14/38/1435841438.db2.gz KZVAQRNJHKCNDZ-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO COc1cc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)ccc1C#N ZINC000282281037 1435841440 /nfs/dbraw/zinc/84/14/40/1435841440.db2.gz KZVAQRNJHKCNDZ-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000282332213 1435843478 /nfs/dbraw/zinc/84/34/78/1435843478.db2.gz QYMWUVNKZUXWHZ-UHFFFAOYSA-N 1 1 379.464 3.055 20 30 GGEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000282403975 1435846016 /nfs/dbraw/zinc/84/60/16/1435846016.db2.gz WRVPVMBZCGCNMW-INIZCTEOSA-N 1 1 380.521 3.471 20 30 GGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000282513984 1435849819 /nfs/dbraw/zinc/84/98/19/1435849819.db2.gz OVZYYQRGMXTSCK-QFIPXVFZSA-N 1 1 390.531 3.065 20 30 GGEDMO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000282513984 1435849820 /nfs/dbraw/zinc/84/98/20/1435849820.db2.gz OVZYYQRGMXTSCK-QFIPXVFZSA-N 1 1 390.531 3.065 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCC34CCOCC4)CC2)cc1 ZINC000282756279 1435859213 /nfs/dbraw/zinc/85/92/13/1435859213.db2.gz GSSSMACUUIPFMK-NRFANRHFSA-N 1 1 396.535 3.125 20 30 GGEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000282966391 1435868131 /nfs/dbraw/zinc/86/81/31/1435868131.db2.gz IFLXSMWXWXJDSE-UHFFFAOYSA-N 1 1 390.447 3.441 20 30 GGEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000283360224 1435885941 /nfs/dbraw/zinc/88/59/41/1435885941.db2.gz SWKOTDIAHNXPEZ-MRXNPFEDSA-N 1 1 397.552 3.199 20 30 GGEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000283397652 1435887882 /nfs/dbraw/zinc/88/78/82/1435887882.db2.gz WHQSPYSOHHAEQV-RTBURBONSA-N 1 1 397.571 3.346 20 30 GGEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000283398134 1435887995 /nfs/dbraw/zinc/88/79/95/1435887995.db2.gz WKZTUDBVYCWYAU-QUCCMNQESA-N 1 1 378.524 3.369 20 30 GGEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000284151026 1435999751 /nfs/dbraw/zinc/99/97/51/1435999751.db2.gz WOHIWGYXTLJXFJ-UYAOXDASSA-N 1 1 376.508 3.290 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000284689252 1436040664 /nfs/dbraw/zinc/04/06/64/1436040664.db2.gz PTXGDROMEXNMHT-KRWDZBQOSA-N 1 1 394.475 3.189 20 30 GGEDMO C[C@H]([NH2+]CC=CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000824584886 1443787614 /nfs/dbraw/zinc/78/76/14/1443787614.db2.gz IXYRIIPHWTVJSQ-QCDWVSHVSA-N 1 1 387.491 3.296 20 30 GGEDMO C[C@@H]([NH2+]CC=CC[NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824584884 1450199865 /nfs/dbraw/zinc/19/98/65/1450199865.db2.gz IXYRIIPHWTVJSQ-OAZXXZECSA-N 1 1 387.491 3.296 20 30 GGEDMO C=CCNC(=O)c1cccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624361 719097425 /nfs/dbraw/zinc/09/74/25/719097425.db2.gz FMFBOGYDJDXVIW-PZJWPPBQSA-N 1 1 376.504 3.098 20 30 GGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4[nH]cc(C#N)c42)CC3)cs1 ZINC001164693395 719803142 /nfs/dbraw/zinc/80/31/42/719803142.db2.gz SNWLPFZHTDJLKD-UHFFFAOYSA-N 1 1 393.520 3.230 20 30 GGEDMO COc1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)ncc1C#N ZINC001164692240 719803358 /nfs/dbraw/zinc/80/33/58/719803358.db2.gz MCQQRGKUESXOPO-UHFFFAOYSA-N 1 1 383.521 3.362 20 30 GGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nnc(Cl)cc2C#N)CC3)cs1 ZINC001164694050 719805892 /nfs/dbraw/zinc/80/58/92/719805892.db2.gz WWSFSKACPCPZRL-UHFFFAOYSA-N 1 1 388.928 3.402 20 30 GGEDMO COc1cc(C#N)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164691965 719809754 /nfs/dbraw/zinc/80/97/54/719809754.db2.gz CMQIOJWVXTZOSG-UHFFFAOYSA-N 1 1 383.521 3.362 20 30 GGEDMO N#Cc1c[nH]c2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ccc12 ZINC001164696206 719893657 /nfs/dbraw/zinc/89/36/57/719893657.db2.gz BZSMBLOFNVYNPI-UHFFFAOYSA-N 1 1 393.516 3.367 20 30 GGEDMO N#Cc1cnc2cc[nH]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c1-2 ZINC001164696723 719896845 /nfs/dbraw/zinc/89/68/45/719896845.db2.gz HXYCRDDSCTXTAM-UHFFFAOYSA-N 1 1 393.516 3.367 20 30 GGEDMO N#Cc1cc2c(nc1N1CCC3(CC1)C[N@@H+](Cc1cccs1)CCO3)CCC2 ZINC001164696176 719898618 /nfs/dbraw/zinc/89/86/18/719898618.db2.gz ANEBUSVZQGDVRG-UHFFFAOYSA-N 1 1 394.544 3.375 20 30 GGEDMO Cc1ccc(CC#N)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707733 719899474 /nfs/dbraw/zinc/89/94/74/719899474.db2.gz WUMVOOFGTAUGFS-UHFFFAOYSA-N 1 1 382.533 3.389 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(Cl)c(C)c1C#N)C2 ZINC001164806386 720075182 /nfs/dbraw/zinc/07/51/82/720075182.db2.gz BUIGTZXUMIKYIS-LAUBAEHRSA-N 1 1 388.943 3.408 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(Cl)c(C)c1C#N)C2 ZINC001164806388 720075509 /nfs/dbraw/zinc/07/55/09/720075509.db2.gz BUIGTZXUMIKYIS-UWJYYQICSA-N 1 1 388.943 3.408 20 30 GGEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C#N)CC2 ZINC001164709573 720099548 /nfs/dbraw/zinc/09/95/48/720099548.db2.gz AXVCMPJPTXUHMB-OAQYLSRUSA-N 1 1 391.519 3.164 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc(C#N)cc31)C2 ZINC001164809120 720101919 /nfs/dbraw/zinc/10/19/19/720101919.db2.gz HCFKXZAJRQJZLY-REWPJTCUSA-N 1 1 376.504 3.291 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C3(C#N)CCC3)cn1)C2 ZINC001164813772 720115437 /nfs/dbraw/zinc/11/54/37/720115437.db2.gz QLBKNGXNAQUYCU-OFNKIYASSA-N 1 1 380.536 3.212 20 30 GGEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C#N)cc(C)n1)CC2 ZINC001164714139 720152095 /nfs/dbraw/zinc/15/20/95/720152095.db2.gz WITJSXUVWKMWDW-OAQYLSRUSA-N 1 1 391.519 3.164 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C#C[Si](C)(C)C)ccn1)C2 ZINC001164813311 720196076 /nfs/dbraw/zinc/19/60/76/720196076.db2.gz OIQRVJKWMASVCG-FYYLOGMGSA-N 1 1 397.639 3.495 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(c1C#N)CCCC3)C2 ZINC001164814083 720201943 /nfs/dbraw/zinc/20/19/43/720201943.db2.gz SLAOUILQMULMRY-AUSIDOKSSA-N 1 1 380.536 3.017 20 30 GGEDMO N#Cc1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1Cl ZINC001164721735 720336458 /nfs/dbraw/zinc/33/64/58/720336458.db2.gz DFEJWUMNWCFKAA-HOTGVXAUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1Cl ZINC001164721735 720336466 /nfs/dbraw/zinc/33/64/66/720336466.db2.gz DFEJWUMNWCFKAA-HOTGVXAUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727866 720346105 /nfs/dbraw/zinc/34/61/05/720346105.db2.gz UROUMZRDLWVEHL-MOPGFXCFSA-N 1 1 390.878 3.403 20 30 GGEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727881 720346852 /nfs/dbraw/zinc/34/68/52/720346852.db2.gz UROUMZRDLWVEHL-RTBURBONSA-N 1 1 390.878 3.403 20 30 GGEDMO N#Cc1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)cc(Cl)n1 ZINC001164724308 720379078 /nfs/dbraw/zinc/37/90/78/720379078.db2.gz JJSVKJKIARNLFZ-IRXDYDNUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc(Cl)n1 ZINC001164724308 720379081 /nfs/dbraw/zinc/37/90/81/720379081.db2.gz JJSVKJKIARNLFZ-IRXDYDNUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726377 720430682 /nfs/dbraw/zinc/43/06/82/720430682.db2.gz BVLKHXLFWJJEMQ-YADHBBJMSA-N 1 1 382.471 3.263 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C#N)cc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832872 720504362 /nfs/dbraw/zinc/50/43/62/720504362.db2.gz BQTXLAZITIKLBA-FGTMMUONSA-N 1 1 384.915 3.181 20 30 GGEDMO Cc1cc(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164836752 720532280 /nfs/dbraw/zinc/53/22/80/720532280.db2.gz KVGPIXYJNMWJGM-NJDAHSKKSA-N 1 1 378.524 3.144 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3[nH]ccc4ncc(C#N)c3-4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835578 720584522 /nfs/dbraw/zinc/58/45/22/720584522.db2.gz BKNGBCPLCOKHQI-XKGZKEIXSA-N 1 1 389.507 3.009 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(CC#N)cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837210 720629673 /nfs/dbraw/zinc/62/96/73/720629673.db2.gz HPCOQAANDIMSPM-CMKODMSKSA-N 1 1 398.942 3.375 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164840356 720676796 /nfs/dbraw/zinc/67/67/96/720676796.db2.gz DFGPWWOOYWFJGC-OAQYLSRUSA-N 1 1 387.487 3.085 20 30 GGEDMO COc1cc(C#N)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839708 720693453 /nfs/dbraw/zinc/69/34/53/720693453.db2.gz BLDNQRAMFMJHOE-HXUWFJFHSA-N 1 1 392.503 3.222 20 30 GGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc3c(c1C#N)CCCC3)[C@@H]2C ZINC001164864440 721022851 /nfs/dbraw/zinc/02/28/51/721022851.db2.gz XNTKRQJLBXOGKG-MRXNPFEDSA-N 1 1 378.524 3.450 20 30 GGEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164767854 721292645 /nfs/dbraw/zinc/29/26/45/721292645.db2.gz ACUUKABEVCUPJU-UHFFFAOYSA-N 1 1 397.595 3.019 20 30 GGEDMO N#Cc1ccc(-c2ccncc2)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782634 721424168 /nfs/dbraw/zinc/42/41/68/721424168.db2.gz HAMHDQQBLDOPPA-HDICACEKSA-N 1 1 388.500 3.040 20 30 GGEDMO N#Cc1ccc(-c2ccncc2)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782634 721424170 /nfs/dbraw/zinc/42/41/70/721424170.db2.gz HAMHDQQBLDOPPA-HDICACEKSA-N 1 1 388.500 3.040 20 30 GGEDMO C[Si](C)(C)C#Cc1ccnc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164781484 721436523 /nfs/dbraw/zinc/43/65/23/721436523.db2.gz DSYRNZJCPLITRH-QZTJIDSGSA-N 1 1 382.609 3.335 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900308 721513592 /nfs/dbraw/zinc/51/35/92/721513592.db2.gz QALVKJVFLNHBIY-DOTOQJQBSA-N 1 1 386.858 3.396 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900311 721513671 /nfs/dbraw/zinc/51/36/71/721513671.db2.gz QALVKJVFLNHBIY-WBVHZDCISA-N 1 1 386.858 3.396 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc(C#N)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164807789 721547729 /nfs/dbraw/zinc/54/77/29/721547729.db2.gz RHMALZIDQCKCRM-DNVJHFABSA-N 1 1 399.498 3.370 20 30 GGEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164903108 721552870 /nfs/dbraw/zinc/55/28/70/721552870.db2.gz AMDBBXHRJTZRIA-CTNGQTDRSA-N 1 1 392.478 3.313 20 30 GGEDMO N#CCc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164908171 721562189 /nfs/dbraw/zinc/56/21/89/721562189.db2.gz PQQCUHFAOUONBV-WMZOPIPTSA-N 1 1 386.858 3.282 20 30 GGEDMO Cc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)cc1C#N ZINC001164906460 721565966 /nfs/dbraw/zinc/56/59/66/721565966.db2.gz JISJLEWEUCIJAB-SJLPKXTDSA-N 1 1 386.858 3.396 20 30 GGEDMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)cc1C#N ZINC001164906463 721566150 /nfs/dbraw/zinc/56/61/50/721566150.db2.gz JISJLEWEUCIJAB-WMZOPIPTSA-N 1 1 386.858 3.396 20 30 GGEDMO COc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1C#N ZINC001164906160 721584079 /nfs/dbraw/zinc/58/40/79/721584079.db2.gz ZDPFDUPJZCJMFG-HXUWFJFHSA-N 1 1 399.445 3.095 20 30 GGEDMO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C#N)c1 ZINC001164907428 721586150 /nfs/dbraw/zinc/58/61/50/721586150.db2.gz SLUGWASMJLHGOR-FQEVSTJZSA-N 1 1 383.446 3.394 20 30 GGEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(CC#N)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164811406 721586447 /nfs/dbraw/zinc/58/64/47/721586447.db2.gz XMUWBXHNEJZKME-XUVXKRRUSA-N 1 1 397.910 3.064 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(CC#N)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164811406 721586449 /nfs/dbraw/zinc/58/64/49/721586449.db2.gz XMUWBXHNEJZKME-XUVXKRRUSA-N 1 1 397.910 3.064 20 30 GGEDMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)cc1C#N ZINC001164807611 721590310 /nfs/dbraw/zinc/59/03/10/721590310.db2.gz OYYABTYVXMPSEN-SLFFLAALSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)cc1C#N ZINC001164807611 721590312 /nfs/dbraw/zinc/59/03/12/721590312.db2.gz OYYABTYVXMPSEN-SLFFLAALSA-N 1 1 397.910 3.178 20 30 GGEDMO N#Cc1cc(F)cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906902 721691500 /nfs/dbraw/zinc/69/15/00/721691500.db2.gz PGWLNKRBWWHOOT-IBGZPJMESA-N 1 1 387.409 3.225 20 30 GGEDMO N#Cc1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1F ZINC001164908606 721704086 /nfs/dbraw/zinc/70/40/86/721704086.db2.gz YIIIEGQJFMYCTN-IBGZPJMESA-N 1 1 387.409 3.225 20 30 GGEDMO COc1cc(C#N)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904861 721708319 /nfs/dbraw/zinc/70/83/19/721708319.db2.gz DNSOSCMOAVCQEV-HXUWFJFHSA-N 1 1 399.445 3.095 20 30 GGEDMO N#Cc1c(F)ccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908246 721711169 /nfs/dbraw/zinc/71/11/69/721711169.db2.gz WRFNIPDMGRYJFW-IBGZPJMESA-N 1 1 387.409 3.225 20 30 GGEDMO N#CCc1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907763 721715787 /nfs/dbraw/zinc/71/57/87/721715787.db2.gz TZTHZCJFUIEUOX-FQEVSTJZSA-N 1 1 383.446 3.280 20 30 GGEDMO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165025110 721813121 /nfs/dbraw/zinc/81/31/21/721813121.db2.gz LKSMCEYYQACZNH-IPELMVKDSA-N 1 1 396.926 3.442 20 30 GGEDMO COc1cc(C#N)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026072 721813966 /nfs/dbraw/zinc/81/39/66/721813966.db2.gz PAKORTCIZSSFDY-DQLDELGASA-N 1 1 377.492 3.094 20 30 GGEDMO COc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(F)cc1C#N ZINC001165023119 721822081 /nfs/dbraw/zinc/82/20/81/721822081.db2.gz HLZKZYAKKJGTQT-QSFXBCCZSA-N 1 1 395.482 3.233 20 30 GGEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165042711 721925138 /nfs/dbraw/zinc/92/51/38/721925138.db2.gz FYEMJFJXBPECPF-MRXNPFEDSA-N 1 1 399.882 3.095 20 30 GGEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C)cc4C=NO)CC3)C2)cc1 ZINC001164939422 721929995 /nfs/dbraw/zinc/92/99/95/721929995.db2.gz KMFXBVMPHCSYMO-UHFFFAOYSA-N 1 1 394.519 3.378 20 30 GGEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nn2)cc1 ZINC001165054259 722008908 /nfs/dbraw/zinc/00/89/08/722008908.db2.gz UYQLTKJHHNIIAM-JOCHJYFZSA-N 1 1 398.514 3.200 20 30 GGEDMO N#Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164960476 722051630 /nfs/dbraw/zinc/05/16/30/722051630.db2.gz OVQCTBDWNAQIIA-UHFFFAOYSA-N 1 1 397.910 3.121 20 30 GGEDMO N#Cc1cnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960521 722052917 /nfs/dbraw/zinc/05/29/17/722052917.db2.gz RASBSYPHYURTJH-UHFFFAOYSA-N 1 1 397.910 3.121 20 30 GGEDMO Cc1nc(CN2CCO[C@H]3CCN(c4ccc(CC#N)c(C)[nH+]4)CC[C@@H]32)cs1 ZINC001164993342 722185507 /nfs/dbraw/zinc/18/55/07/722185507.db2.gz YZSPPLCNMJYQLX-PMACEKPBSA-N 1 1 397.548 3.091 20 30 GGEDMO N#Cc1c[nH]c2ncnc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164993866 722191214 /nfs/dbraw/zinc/19/12/14/722191214.db2.gz IGBGAPPLSZXLKU-NRFANRHFSA-N 1 1 376.439 3.214 20 30 GGEDMO N#Cc1c[nH]c2ncnc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164993869 722191363 /nfs/dbraw/zinc/19/13/63/722191363.db2.gz IGBGAPPLSZXLKU-OAQYLSRUSA-N 1 1 376.439 3.214 20 30 GGEDMO N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995791 722197940 /nfs/dbraw/zinc/19/79/40/722197940.db2.gz YAWLKJJFEXWQRV-FQEVSTJZSA-N 1 1 381.411 3.245 20 30 GGEDMO CCc1nc(C#N)c(C#N)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995011 722211912 /nfs/dbraw/zinc/21/19/12/722211912.db2.gz FGBXAMPKJJDYTD-QFIPXVFZSA-N 1 1 390.466 3.166 20 30 GGEDMO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)o1 ZINC000735939380 944721348 /nfs/dbraw/zinc/72/13/48/944721348.db2.gz OIUGCTVXWADKTB-HIFRSBDPSA-N 1 1 386.504 3.421 20 30 GGEDMO C#CC[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001573283506 946717448 /nfs/dbraw/zinc/71/74/48/946717448.db2.gz SMDFERSOGQNGFJ-LJQANCHMSA-N 1 1 388.431 3.288 20 30 GGEDMO C#CC[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001573283506 946717453 /nfs/dbraw/zinc/71/74/53/946717453.db2.gz SMDFERSOGQNGFJ-LJQANCHMSA-N 1 1 388.431 3.288 20 30 GGEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2 ZINC001573330604 947437609 /nfs/dbraw/zinc/43/76/09/947437609.db2.gz ZNWSGXVTLYTLCJ-OLZOCXBDSA-N 1 1 386.525 3.032 20 30 GGEDMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026329673 204842786 /nfs/dbraw/zinc/84/27/86/204842786.db2.gz WSLIMTVMTQWQNO-QGZVFWFLSA-N 1 1 392.503 3.038 20 30 GGEDMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026329673 204842787 /nfs/dbraw/zinc/84/27/87/204842787.db2.gz WSLIMTVMTQWQNO-QGZVFWFLSA-N 1 1 392.503 3.038 20 30 GGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000037200156 205024130 /nfs/dbraw/zinc/02/41/30/205024130.db2.gz UMXZHSKIJGXQOE-UWJYYQICSA-N 1 1 382.460 3.152 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037213036 205024899 /nfs/dbraw/zinc/02/48/99/205024899.db2.gz JYQUFFCTWVHOBK-AEFFLSMTSA-N 1 1 376.460 3.236 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037213036 205024904 /nfs/dbraw/zinc/02/49/04/205024904.db2.gz JYQUFFCTWVHOBK-AEFFLSMTSA-N 1 1 376.460 3.236 20 30 GGEDMO N#Cc1c(NC(=O)C[N@@H+](CCO)[C@H]2CCCSC2)sc2c1CCCCC2 ZINC000239591295 206124108 /nfs/dbraw/zinc/12/41/08/206124108.db2.gz BAQCRKJSAWPTLO-AWEZNQCLSA-N 1 1 393.578 3.017 20 30 GGEDMO N#Cc1c(NC(=O)C[N@H+](CCO)[C@H]2CCCSC2)sc2c1CCCCC2 ZINC000239591295 206124113 /nfs/dbraw/zinc/12/41/13/206124113.db2.gz BAQCRKJSAWPTLO-AWEZNQCLSA-N 1 1 393.578 3.017 20 30 GGEDMO CCN1CC[NH+]([C@H](C)CNc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000071954185 206208645 /nfs/dbraw/zinc/20/86/45/206208645.db2.gz GVCZRWKRGDTXTA-QGZVFWFLSA-N 1 1 376.508 3.106 20 30 GGEDMO C=CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000054625775 519027040 /nfs/dbraw/zinc/02/70/40/519027040.db2.gz JCDUSDICBFHBJC-UHFFFAOYSA-N 1 1 378.432 3.079 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867273 564341481 /nfs/dbraw/zinc/34/14/81/564341481.db2.gz FXGCNPCUHXEJKR-SFHVURJKSA-N 1 1 389.293 3.387 20 30 GGEDMO C[N@@H+](Cc1ccccc1Br)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025866832 564341613 /nfs/dbraw/zinc/34/16/13/564341613.db2.gz VJGHDYRIEJKVAE-QGZVFWFLSA-N 1 1 389.293 3.387 20 30 GGEDMO C[N@H+](Cc1ccccc1Br)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025866832 564341616 /nfs/dbraw/zinc/34/16/16/564341616.db2.gz VJGHDYRIEJKVAE-QGZVFWFLSA-N 1 1 389.293 3.387 20 30 GGEDMO C[N@@H+](Cc1ccccc1Br)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025866836 564341878 /nfs/dbraw/zinc/34/18/78/564341878.db2.gz VJGHDYRIEJKVAE-KRWDZBQOSA-N 1 1 389.293 3.387 20 30 GGEDMO C[N@H+](Cc1ccccc1Br)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025866836 564341882 /nfs/dbraw/zinc/34/18/82/564341882.db2.gz VJGHDYRIEJKVAE-KRWDZBQOSA-N 1 1 389.293 3.387 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1)C1CC1 ZINC000026446507 564347044 /nfs/dbraw/zinc/34/70/44/564347044.db2.gz DIJBLDBFWSEIDK-SFHVURJKSA-N 1 1 376.298 3.222 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1)C1CC1 ZINC000026446507 564347047 /nfs/dbraw/zinc/34/70/47/564347047.db2.gz DIJBLDBFWSEIDK-SFHVURJKSA-N 1 1 376.298 3.222 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Br)cc2cccnc21 ZINC000121419985 564368807 /nfs/dbraw/zinc/36/88/07/564368807.db2.gz LPJTZFAGIKFMAV-UHFFFAOYSA-N 1 1 399.296 3.239 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000123563334 564453639 /nfs/dbraw/zinc/45/36/39/564453639.db2.gz QYIYVORSKGHGOV-CVEARBPZSA-N 1 1 379.913 3.137 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000123563334 564453645 /nfs/dbraw/zinc/45/36/45/564453645.db2.gz QYIYVORSKGHGOV-CVEARBPZSA-N 1 1 379.913 3.137 20 30 GGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000046528683 564503440 /nfs/dbraw/zinc/50/34/40/564503440.db2.gz XCQRWYVBAVGLRE-QGZVFWFLSA-N 1 1 375.266 3.192 20 30 GGEDMO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046527049 564503721 /nfs/dbraw/zinc/50/37/21/564503721.db2.gz ACFYYUFDKZYKDB-UHFFFAOYSA-N 1 1 386.293 3.411 20 30 GGEDMO CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046527049 564503725 /nfs/dbraw/zinc/50/37/25/564503725.db2.gz ACFYYUFDKZYKDB-UHFFFAOYSA-N 1 1 386.293 3.411 20 30 GGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000046528680 564503775 /nfs/dbraw/zinc/50/37/75/564503775.db2.gz XCQRWYVBAVGLRE-KRWDZBQOSA-N 1 1 375.266 3.192 20 30 GGEDMO COc1ccc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1C#N ZINC000125564718 564518559 /nfs/dbraw/zinc/51/85/59/564518559.db2.gz NQODPCGWIOSGAB-KRWDZBQOSA-N 1 1 375.266 3.495 20 30 GGEDMO C[N@H+](Cc1cc(Br)cs1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000047752781 564526278 /nfs/dbraw/zinc/52/62/78/564526278.db2.gz PVKMYWVPXUBYKD-OAHLLOKOSA-N 1 1 395.322 3.448 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000054989194 564613622 /nfs/dbraw/zinc/61/36/22/564613622.db2.gz SKNBEOCIUJSFSV-UHFFFAOYSA-N 1 1 389.297 3.069 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000054989194 564613625 /nfs/dbraw/zinc/61/36/25/564613625.db2.gz SKNBEOCIUJSFSV-UHFFFAOYSA-N 1 1 389.297 3.069 20 30 GGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)o1 ZINC000128326115 564615220 /nfs/dbraw/zinc/61/52/20/564615220.db2.gz JGARPZBXYJIFMV-UHFFFAOYSA-N 1 1 376.254 3.040 20 30 GGEDMO N#Cc1ccccc1OCC[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000060377191 564697098 /nfs/dbraw/zinc/69/70/98/564697098.db2.gz GRQMQWPLAOLLNW-UHFFFAOYSA-N 1 1 393.256 3.333 20 30 GGEDMO N#Cc1ccccc1OCC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000060377191 564697102 /nfs/dbraw/zinc/69/71/02/564697102.db2.gz GRQMQWPLAOLLNW-UHFFFAOYSA-N 1 1 393.256 3.333 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000131684102 564720094 /nfs/dbraw/zinc/72/00/94/564720094.db2.gz CNKIMNYMAKWUIU-UHFFFAOYSA-N 1 1 378.314 3.175 20 30 GGEDMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135077317 564823017 /nfs/dbraw/zinc/82/30/17/564823017.db2.gz VCTXEHLZYMHQDZ-YOEHRIQHSA-N 1 1 387.908 3.085 20 30 GGEDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135077317 564823023 /nfs/dbraw/zinc/82/30/23/564823023.db2.gz VCTXEHLZYMHQDZ-YOEHRIQHSA-N 1 1 387.908 3.085 20 30 GGEDMO C[N@@H+](CCc1ccc(Br)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000078611023 564864265 /nfs/dbraw/zinc/86/42/65/564864265.db2.gz VPDBAVUZOLQZHD-UHFFFAOYSA-N 1 1 378.314 3.266 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H](C)C(=O)OC)cc1OC ZINC000091986208 564873603 /nfs/dbraw/zinc/87/36/03/564873603.db2.gz QKAGBGDZUXFNFJ-LBPRGKRZSA-N 1 1 386.286 3.263 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H](C)C(=O)NC)cc1OCC ZINC000093898920 564891613 /nfs/dbraw/zinc/89/16/13/564891613.db2.gz JSLNKBFNKIXEGG-ZDUSSCGKSA-N 1 1 399.329 3.227 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cc(Br)cn1C ZINC000151477384 564921338 /nfs/dbraw/zinc/92/13/38/564921338.db2.gz OWPAZZNSBZEVSN-UHFFFAOYSA-N 1 1 378.270 3.179 20 30 GGEDMO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000108170793 565007965 /nfs/dbraw/zinc/00/79/65/565007965.db2.gz IZHVQDXDZNAVHS-INIZCTEOSA-N 1 1 393.256 3.332 20 30 GGEDMO C[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000108170793 565007967 /nfs/dbraw/zinc/00/79/67/565007967.db2.gz IZHVQDXDZNAVHS-INIZCTEOSA-N 1 1 393.256 3.332 20 30 GGEDMO C[N@@H+](CCc1ccc(Br)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000112563182 565064350 /nfs/dbraw/zinc/06/43/50/565064350.db2.gz YFKNPDOZKRZGTQ-GOSISDBHSA-N 1 1 389.293 3.235 20 30 GGEDMO Cc1cccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1C#N ZINC000156162009 565075506 /nfs/dbraw/zinc/07/55/06/565075506.db2.gz IODNKRUWCTUNQO-MRXNPFEDSA-N 1 1 375.519 3.044 20 30 GGEDMO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183829946 565096607 /nfs/dbraw/zinc/09/66/07/565096607.db2.gz WIZUROLFSMCKEU-CQSZACIVSA-N 1 1 394.313 3.053 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Br)nc3)CC2)cc1 ZINC000266929454 565097084 /nfs/dbraw/zinc/09/70/84/565097084.db2.gz MRDINTCOPZXNLM-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Br)nc3)CC2)cc1 ZINC000266929454 565097085 /nfs/dbraw/zinc/09/70/85/565097085.db2.gz MRDINTCOPZXNLM-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO Brc1cccc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000292155280 565101190 /nfs/dbraw/zinc/10/11/90/565101190.db2.gz VRMZOOSGEOQFJL-XDHOZWIPSA-N 1 1 376.254 3.231 20 30 GGEDMO C=C(C)CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000184326751 565129796 /nfs/dbraw/zinc/12/97/96/565129796.db2.gz APGWNIPZCODLPV-UHFFFAOYSA-N 1 1 376.444 3.119 20 30 GGEDMO C=C(C)CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000184326751 565129798 /nfs/dbraw/zinc/12/97/98/565129798.db2.gz APGWNIPZCODLPV-UHFFFAOYSA-N 1 1 376.444 3.119 20 30 GGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157722169 565141855 /nfs/dbraw/zinc/14/18/55/565141855.db2.gz YEFGMJISNRTYEB-CYBMUJFWSA-N 1 1 379.302 3.434 20 30 GGEDMO C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185726985 565218725 /nfs/dbraw/zinc/21/87/25/565218725.db2.gz MYJVOHUJNSYRDS-ZFWWWQNUSA-N 1 1 381.929 3.143 20 30 GGEDMO C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185726963 565219266 /nfs/dbraw/zinc/21/92/66/565219266.db2.gz MYJVOHUJNSYRDS-UKRRQHHQSA-N 1 1 381.929 3.143 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000294794990 565229296 /nfs/dbraw/zinc/22/92/96/565229296.db2.gz BSXAHCARXIVCBN-ACJLOTCBSA-N 1 1 388.309 3.410 20 30 GGEDMO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000186083956 565238575 /nfs/dbraw/zinc/23/85/75/565238575.db2.gz FBJOBDYYETZJGP-OAHLLOKOSA-N 1 1 395.937 3.389 20 30 GGEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000372807902 565255625 /nfs/dbraw/zinc/25/56/25/565255625.db2.gz RXQKRRQCLQJIGL-OAHLLOKOSA-N 1 1 379.298 3.338 20 30 GGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1ccccc1Br ZINC000295314328 565258862 /nfs/dbraw/zinc/25/88/62/565258862.db2.gz LLNIGOYYKXRSID-ZWKOTPCHSA-N 1 1 375.266 3.020 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(Br)c1 ZINC000295513411 565271475 /nfs/dbraw/zinc/27/14/75/565271475.db2.gz HZXJLPLKTSMILS-GOEBONIOSA-N 1 1 384.277 3.102 20 30 GGEDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1)C(N)=O ZINC000295546091 565272227 /nfs/dbraw/zinc/27/22/27/565272227.db2.gz JZHUMEFFEVASDU-AWEZNQCLSA-N 1 1 378.314 3.434 20 30 GGEDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1)C(N)=O ZINC000295594716 565276120 /nfs/dbraw/zinc/27/61/20/565276120.db2.gz MROJWTWWTRGBEI-CQSZACIVSA-N 1 1 378.314 3.434 20 30 GGEDMO CC(C)(CC#N)CS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000295724483 565283898 /nfs/dbraw/zinc/28/38/98/565283898.db2.gz HGFGODZEMNFSPJ-UHFFFAOYSA-N 1 1 383.945 3.164 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186847983 565289883 /nfs/dbraw/zinc/28/98/83/565289883.db2.gz LKTBOAOCPRLHHH-CYBMUJFWSA-N 1 1 379.913 3.137 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186847983 565289888 /nfs/dbraw/zinc/28/98/88/565289888.db2.gz LKTBOAOCPRLHHH-CYBMUJFWSA-N 1 1 379.913 3.137 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186842486 565290215 /nfs/dbraw/zinc/29/02/15/565290215.db2.gz UYGLQYOMTDVLQD-MRXNPFEDSA-N 1 1 380.579 3.249 20 30 GGEDMO C[N@H+]1CCCN(c2ccc(-c3noc(CSCC#N)n3)cc2Cl)CC1 ZINC000274228909 565363327 /nfs/dbraw/zinc/36/33/27/565363327.db2.gz UZDUUEVFSXNXAL-UHFFFAOYSA-N 1 1 377.901 3.289 20 30 GGEDMO Cc1cc(N2CCC(Nc3ncc(Br)cc3C#N)CC2)nc(C)[nH+]1 ZINC000297551920 565376738 /nfs/dbraw/zinc/37/67/38/565376738.db2.gz QWTMTPGGOWIQSC-UHFFFAOYSA-N 1 1 387.285 3.204 20 30 GGEDMO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cn1 ZINC000298595034 565421892 /nfs/dbraw/zinc/42/18/92/565421892.db2.gz RZNQJHYLANXTSN-YVEFUNNKSA-N 1 1 385.265 3.172 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000171536598 565436006 /nfs/dbraw/zinc/43/60/06/565436006.db2.gz UYNYQIOIWALRQL-UHFFFAOYSA-N 1 1 393.734 3.031 20 30 GGEDMO CN(CCCc1[nH]nc(N)c1C#N)c1cc[nH+]c2cc(Br)ccc21 ZINC000301500837 565491520 /nfs/dbraw/zinc/49/15/20/565491520.db2.gz DRMHKCCQPLQWGQ-UHFFFAOYSA-N 1 1 385.269 3.243 20 30 GGEDMO COc1cc(C[N@@H+]2CC[C@H](Nc3snc(Cl)c3C#N)C2)cc(OC)c1 ZINC000301541311 565493638 /nfs/dbraw/zinc/49/36/38/565493638.db2.gz BXKARJIKZYJXAU-LBPRGKRZSA-N 1 1 378.885 3.372 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@H](Nc3snc(Cl)c3C#N)C2)cc(OC)c1 ZINC000301541311 565493642 /nfs/dbraw/zinc/49/36/42/565493642.db2.gz BXKARJIKZYJXAU-LBPRGKRZSA-N 1 1 378.885 3.372 20 30 GGEDMO N#Cc1ccc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(Br)c1 ZINC000301884202 565516411 /nfs/dbraw/zinc/51/64/11/565516411.db2.gz YSBBJRKFTQNZPQ-SJORKVTESA-N 1 1 386.293 3.368 20 30 GGEDMO N#Cc1ccc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(Br)c1 ZINC000301884202 565516417 /nfs/dbraw/zinc/51/64/17/565516417.db2.gz YSBBJRKFTQNZPQ-SJORKVTESA-N 1 1 386.293 3.368 20 30 GGEDMO N#Cc1ccc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(Br)c1 ZINC000301884199 565516662 /nfs/dbraw/zinc/51/66/62/565516662.db2.gz YSBBJRKFTQNZPQ-DLBZAZTESA-N 1 1 386.293 3.368 20 30 GGEDMO N#Cc1ccc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(Br)c1 ZINC000301884199 565516668 /nfs/dbraw/zinc/51/66/68/565516668.db2.gz YSBBJRKFTQNZPQ-DLBZAZTESA-N 1 1 386.293 3.368 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(Br)c1 ZINC000277766544 565518974 /nfs/dbraw/zinc/51/89/74/565518974.db2.gz MRRKISVOEUFQOK-OCCSQVGLSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(Br)c1 ZINC000277766544 565518976 /nfs/dbraw/zinc/51/89/76/565518976.db2.gz MRRKISVOEUFQOK-OCCSQVGLSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1cc(Br)ccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000302058264 565528060 /nfs/dbraw/zinc/52/80/60/565528060.db2.gz BMFYMXOVRVFBJN-GOSISDBHSA-N 1 1 386.293 3.499 20 30 GGEDMO N#Cc1cc(Br)ccc1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000302106430 565529841 /nfs/dbraw/zinc/52/98/41/565529841.db2.gz XTMJKKBFKYEFOP-MSOLQXFVSA-N 1 1 386.293 3.368 20 30 GGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000386483736 565548016 /nfs/dbraw/zinc/54/80/16/565548016.db2.gz WNQPCBUMJBCWPQ-CQSZACIVSA-N 1 1 377.897 3.010 20 30 GGEDMO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000390769039 565557534 /nfs/dbraw/zinc/55/75/34/565557534.db2.gz UKAIJZVOWRHRDY-CQSZACIVSA-N 1 1 377.897 3.010 20 30 GGEDMO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cc2c(cc1Br)OCCO2 ZINC000190811096 565560643 /nfs/dbraw/zinc/56/06/43/565560643.db2.gz JJISTHCLEFBBBV-NSHDSACASA-N 1 1 376.254 3.281 20 30 GGEDMO CC(C)(C#N)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000278945377 565586673 /nfs/dbraw/zinc/58/66/73/565586673.db2.gz GNLMFHVNMKCKQJ-UHFFFAOYSA-N 1 1 378.314 3.470 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000408311020 565602863 /nfs/dbraw/zinc/60/28/63/565602863.db2.gz VZSZGFJJMIPDIU-IJEWVQPXSA-N 1 1 381.929 3.238 20 30 GGEDMO COC(=O)CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(Br)c1 ZINC000191631090 565617824 /nfs/dbraw/zinc/61/78/24/565617824.db2.gz FXLCUEGTJMZEBD-UHFFFAOYSA-N 1 1 390.281 3.225 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2cc(C#N)ccc2Br)C[C@H](C)O1 ZINC000191778175 565630539 /nfs/dbraw/zinc/63/05/39/565630539.db2.gz AABMHZOSZVVSCU-DAYGRLMNSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C[C@H](C)O1 ZINC000191778175 565630545 /nfs/dbraw/zinc/63/05/45/565630545.db2.gz AABMHZOSZVVSCU-DAYGRLMNSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)C[C@H](C)O1 ZINC000191778175 565630550 /nfs/dbraw/zinc/63/05/50/565630550.db2.gz AABMHZOSZVVSCU-DAYGRLMNSA-N 1 1 392.341 3.394 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191781100 565631406 /nfs/dbraw/zinc/63/14/06/565631406.db2.gz NCFXDXNHVPNXAJ-HNNXBMFYSA-N 1 1 378.314 3.449 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191781100 565631413 /nfs/dbraw/zinc/63/14/13/565631413.db2.gz NCFXDXNHVPNXAJ-HNNXBMFYSA-N 1 1 378.314 3.449 20 30 GGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191781023 565631754 /nfs/dbraw/zinc/63/17/54/565631754.db2.gz RSNGGABGWHRZBC-HNNXBMFYSA-N 1 1 378.314 3.305 20 30 GGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191781023 565631758 /nfs/dbraw/zinc/63/17/58/565631758.db2.gz RSNGGABGWHRZBC-HNNXBMFYSA-N 1 1 378.314 3.305 20 30 GGEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)COCc1ccccc1 ZINC000191790069 565631814 /nfs/dbraw/zinc/63/18/14/565631814.db2.gz ATUMMFVNWXZZCC-SFHVURJKSA-N 1 1 389.293 3.330 20 30 GGEDMO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)COCc1ccccc1 ZINC000191790069 565631816 /nfs/dbraw/zinc/63/18/16/565631816.db2.gz ATUMMFVNWXZZCC-SFHVURJKSA-N 1 1 389.293 3.330 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 ZINC000191815181 565635887 /nfs/dbraw/zinc/63/58/87/565635887.db2.gz YOCPQWSWDVKABX-RDTXWAMCSA-N 1 1 388.309 3.296 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328835151 565643602 /nfs/dbraw/zinc/64/36/02/565643602.db2.gz SGGGONUFGNVZCX-VJUNAUMWSA-N 1 1 397.313 3.287 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328851765 565644132 /nfs/dbraw/zinc/64/41/32/565644132.db2.gz WUZFTSUXMYZIEY-KFZJALRRSA-N 1 1 397.313 3.287 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328851765 565644138 /nfs/dbraw/zinc/64/41/38/565644138.db2.gz WUZFTSUXMYZIEY-KFZJALRRSA-N 1 1 397.313 3.287 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328851764 565644454 /nfs/dbraw/zinc/64/44/54/565644454.db2.gz WUZFTSUXMYZIEY-GFOFROLCSA-N 1 1 397.313 3.287 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328851764 565644458 /nfs/dbraw/zinc/64/44/58/565644458.db2.gz WUZFTSUXMYZIEY-GFOFROLCSA-N 1 1 397.313 3.287 20 30 GGEDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000329041565 565650897 /nfs/dbraw/zinc/65/08/97/565650897.db2.gz OLZRSZBEOCFHGO-LBPRGKRZSA-N 1 1 380.901 3.007 20 30 GGEDMO O=C(NC1CC1)N[C@@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000329437443 565665469 /nfs/dbraw/zinc/66/54/69/565665469.db2.gz AFNQZZCSGVJWNM-CYBMUJFWSA-N 1 1 375.270 3.242 20 30 GGEDMO O=C(NC1CC1)N[C@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000329549989 565670337 /nfs/dbraw/zinc/67/03/37/565670337.db2.gz FIXSHXHHBBLDPE-ZDUSSCGKSA-N 1 1 375.270 3.242 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CC[N@H+]1C ZINC000329607148 565673187 /nfs/dbraw/zinc/67/31/87/565673187.db2.gz CHBBJCDKYMGBHL-YPMHNXCESA-N 1 1 379.917 3.407 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CC[N@H+]1C ZINC000329607145 565673247 /nfs/dbraw/zinc/67/32/47/565673247.db2.gz CHBBJCDKYMGBHL-DGCLKSJQSA-N 1 1 379.917 3.407 20 30 GGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000329810478 565680449 /nfs/dbraw/zinc/68/04/49/565680449.db2.gz BNTACYBJTGTGCY-QMTHXVAHSA-N 1 1 381.270 3.008 20 30 GGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)[C@H]2C1 ZINC000329836842 565682040 /nfs/dbraw/zinc/68/20/40/565682040.db2.gz HZFZEKMIRXHLEI-PXAZEXFGSA-N 1 1 391.313 3.370 20 30 GGEDMO C=CCc1cc(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)cc(OC)c1O ZINC000280639116 565686332 /nfs/dbraw/zinc/68/63/32/565686332.db2.gz RACXQOVYPVSWGF-UHFFFAOYSA-N 1 1 381.519 3.274 20 30 GGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)N[C@H]3CCCSC3)CC2)cs1 ZINC000330099307 565692495 /nfs/dbraw/zinc/69/24/95/565692495.db2.gz CYLJNNPFIBRZMT-HNNXBMFYSA-N 1 1 382.599 3.317 20 30 GGEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCc2cc(Br)ccc21 ZINC000330173199 565695538 /nfs/dbraw/zinc/69/55/38/565695538.db2.gz HDDWZFNVWAWRFM-UKRRQHHQSA-N 1 1 375.270 3.152 20 30 GGEDMO C[C@@H]1CN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC[N@H+]1CC(C)(C)O ZINC000330241305 565698106 /nfs/dbraw/zinc/69/81/06/565698106.db2.gz FPTNCNRYGNZYST-TZMCWYRMSA-N 1 1 385.961 3.470 20 30 GGEDMO CN(CC(=O)Nc1ccccc1Br)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330222126 565698483 /nfs/dbraw/zinc/69/84/83/565698483.db2.gz RMZCFZKGFYROGQ-HNNXBMFYSA-N 1 1 380.286 3.122 20 30 GGEDMO Cc1c(Br)cccc1NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000330465648 565707845 /nfs/dbraw/zinc/70/78/45/565707845.db2.gz WSMLPJDFPQOBQX-CQSZACIVSA-N 1 1 384.318 3.440 20 30 GGEDMO CC[C@H]1CN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC[N@H+]1C[C@H](C)O ZINC000330663957 565718333 /nfs/dbraw/zinc/71/83/33/565718333.db2.gz XYGVOIFZWIMJGC-AAEUAGOBSA-N 1 1 390.311 3.325 20 30 GGEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000411431745 565729768 /nfs/dbraw/zinc/72/97/68/565729768.db2.gz VEISHRBTGDAAHQ-LJQANCHMSA-N 1 1 385.309 3.269 20 30 GGEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000411431742 565730465 /nfs/dbraw/zinc/73/04/65/565730465.db2.gz VEISHRBTGDAAHQ-IBGZPJMESA-N 1 1 385.309 3.269 20 30 GGEDMO CC[C@H]1CN(C(=O)Nc2cccc(C)c2Br)CC[N@H+]1C[C@@H](C)O ZINC000330943904 565731010 /nfs/dbraw/zinc/73/10/10/565731010.db2.gz FVWMURBWWYXWDF-KGLIPLIRSA-N 1 1 384.318 3.080 20 30 GGEDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000330950029 565731249 /nfs/dbraw/zinc/73/12/49/565731249.db2.gz CVTSVHRFZPCHKH-UHFFFAOYSA-N 1 1 387.933 3.138 20 30 GGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H]1C ZINC000330957538 565732211 /nfs/dbraw/zinc/73/22/11/565732211.db2.gz CSAUATQLRCOYDP-GXTWGEPZSA-N 1 1 387.933 3.094 20 30 GGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1C ZINC000330957544 565732668 /nfs/dbraw/zinc/73/26/68/565732668.db2.gz CSAUATQLRCOYDP-TZMCWYRMSA-N 1 1 387.933 3.094 20 30 GGEDMO CCOc1c(Cl)cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1Cl ZINC000330971181 565733433 /nfs/dbraw/zinc/73/34/33/565733433.db2.gz FKLDRLLYZCSYLC-RYUDHWBXSA-N 1 1 390.311 3.325 20 30 GGEDMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@@H]1CC ZINC000330979362 565733646 /nfs/dbraw/zinc/73/36/46/565733646.db2.gz LZRPSDPQYGTJCF-LBPRGKRZSA-N 1 1 375.300 3.367 20 30 GGEDMO CC(C)[C@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000331107614 565738955 /nfs/dbraw/zinc/73/89/55/565738955.db2.gz AMAQHSKLWUARLV-SWLSCSKDSA-N 1 1 386.323 3.485 20 30 GGEDMO COc1cc(OC)c(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1Br ZINC000331157892 565743212 /nfs/dbraw/zinc/74/32/12/565743212.db2.gz DMCPPIWMXGSRPA-GHMZBOCLSA-N 1 1 386.290 3.036 20 30 GGEDMO COc1cc(OC)c(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1Br ZINC000331157899 565743698 /nfs/dbraw/zinc/74/36/98/565743698.db2.gz DMCPPIWMXGSRPA-QWRGUYRKSA-N 1 1 386.290 3.036 20 30 GGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)[C@@H](C)C1 ZINC000331183496 565744839 /nfs/dbraw/zinc/74/48/39/565744839.db2.gz NPOJHYULXIHKTH-QWRGUYRKSA-N 1 1 390.709 3.035 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)[C@@H](C)C1 ZINC000331183497 565744887 /nfs/dbraw/zinc/74/48/87/565744887.db2.gz NPOJHYULXIHKTH-WDEREUQCSA-N 1 1 390.709 3.035 20 30 GGEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000331286162 565751698 /nfs/dbraw/zinc/75/16/98/565751698.db2.gz HZMFCNNZTOYEOY-JTQLQIEISA-N 1 1 378.275 3.455 20 30 GGEDMO CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[N@H+]1C[C@@H](C)O ZINC000331278963 565751750 /nfs/dbraw/zinc/75/17/50/565751750.db2.gz DRQRFRDPDDCCQF-GHMZBOCLSA-N 1 1 378.275 3.455 20 30 GGEDMO CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[N@H+]1C[C@H](C)O ZINC000331278966 565751855 /nfs/dbraw/zinc/75/18/55/565751855.db2.gz DRQRFRDPDDCCQF-WDEREUQCSA-N 1 1 378.275 3.455 20 30 GGEDMO Cc1cccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1Br ZINC000331294575 565753049 /nfs/dbraw/zinc/75/30/49/565753049.db2.gz MSCAILMKHILYMS-ZDUSSCGKSA-N 1 1 384.318 3.080 20 30 GGEDMO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000411976073 565764959 /nfs/dbraw/zinc/76/49/59/565764959.db2.gz ZXAHEMMWQSOUKV-ZWKOTPCHSA-N 1 1 384.277 3.022 20 30 GGEDMO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000411976073 565764963 /nfs/dbraw/zinc/76/49/63/565764963.db2.gz ZXAHEMMWQSOUKV-ZWKOTPCHSA-N 1 1 384.277 3.022 20 30 GGEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)C1 ZINC000331901312 565791460 /nfs/dbraw/zinc/79/14/60/565791460.db2.gz LMWDHOQCWGHHPQ-UKRRQHHQSA-N 1 1 382.291 3.209 20 30 GGEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)C1 ZINC000331901307 565791639 /nfs/dbraw/zinc/79/16/39/565791639.db2.gz LMWDHOQCWGHHPQ-HIFRSBDPSA-N 1 1 382.291 3.209 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000194175841 565799734 /nfs/dbraw/zinc/79/97/34/565799734.db2.gz XFVRKNKOFMPPFC-CQSZACIVSA-N 1 1 378.314 3.422 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000194175841 565799738 /nfs/dbraw/zinc/79/97/38/565799738.db2.gz XFVRKNKOFMPPFC-CQSZACIVSA-N 1 1 378.314 3.422 20 30 GGEDMO C=CCOc1c(Br)cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1OC ZINC000194539495 565821402 /nfs/dbraw/zinc/82/14/02/565821402.db2.gz FAIIUHVTJSFBKJ-GASCZTMLSA-N 1 1 381.314 3.016 20 30 GGEDMO C=CCn1c(=O)c2ccc(Cl)cc2nc1SCC[N@H+]1CCCOCC1 ZINC000412978788 565827464 /nfs/dbraw/zinc/82/74/64/565827464.db2.gz BRBZIWOFRJBHTB-UHFFFAOYSA-N 1 1 379.913 3.050 20 30 GGEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000332647358 565850011 /nfs/dbraw/zinc/85/00/11/565850011.db2.gz SUNQUXXZFWZXCU-HUUCEWRRSA-N 1 1 377.286 3.411 20 30 GGEDMO C=CCn1c(SCCC[NH+]2CCOCC2)nc2sc(C)c(C)c2c1=O ZINC000195334644 565876902 /nfs/dbraw/zinc/87/69/02/565876902.db2.gz UVXJUPLFKMEKRU-UHFFFAOYSA-N 1 1 379.551 3.075 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000217433702 565897287 /nfs/dbraw/zinc/89/72/87/565897287.db2.gz DCJJSYRXIRZLGY-HNNXBMFYSA-N 1 1 385.961 3.456 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(Br)c1 ZINC000286312014 565952868 /nfs/dbraw/zinc/95/28/68/565952868.db2.gz CYILNMJCMHESOG-CHWSQXEVSA-N 1 1 377.204 3.313 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c(Br)c1 ZINC000286312014 565952872 /nfs/dbraw/zinc/95/28/72/565952872.db2.gz CYILNMJCMHESOG-CHWSQXEVSA-N 1 1 377.204 3.313 20 30 GGEDMO C=CCOc1c(Br)cc(CNCC(F)(F)C[NH3+])cc1OCC ZINC000414907098 565965446 /nfs/dbraw/zinc/96/54/46/565965446.db2.gz DCGAPPHCXXHQMO-UHFFFAOYSA-N 1 1 379.245 3.096 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2ccc(C#N)cc2Br)C[C@H](C)O1 ZINC000245562466 565996065 /nfs/dbraw/zinc/99/60/65/565996065.db2.gz XVQBCHCDOXDXRT-RVKKMQEKSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C[C@H](C)O1 ZINC000245562466 565996071 /nfs/dbraw/zinc/99/60/71/565996071.db2.gz XVQBCHCDOXDXRT-RVKKMQEKSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Br)C[C@H](C)O1 ZINC000245562466 565996074 /nfs/dbraw/zinc/99/60/74/565996074.db2.gz XVQBCHCDOXDXRT-RVKKMQEKSA-N 1 1 392.341 3.394 20 30 GGEDMO [NH3+]CC(F)(F)CNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000415517190 566002191 /nfs/dbraw/zinc/00/21/91/566002191.db2.gz KUMJNAIHNICQGP-VIFPVBQESA-N 1 1 379.251 3.202 20 30 GGEDMO [NH3+]CC(F)(F)CNC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000415537606 566005592 /nfs/dbraw/zinc/00/55/92/566005592.db2.gz HDLWGILFFRGETM-SECBINFHSA-N 1 1 379.251 3.202 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)CC[C@@H]21 ZINC000287286825 566008931 /nfs/dbraw/zinc/00/89/31/566008931.db2.gz RVTYFCUYRQLSRZ-BBRMVZONSA-N 1 1 377.286 3.269 20 30 GGEDMO Cc1sc(NC(=O)C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c(C#N)c1C ZINC000245893716 566009021 /nfs/dbraw/zinc/00/90/21/566009021.db2.gz OXMGUOXJLSKMOD-LSDHHAIUSA-N 1 1 379.551 3.162 20 30 GGEDMO Cc1sc(NC(=O)C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c(C#N)c1C ZINC000245893716 566009028 /nfs/dbraw/zinc/00/90/28/566009028.db2.gz OXMGUOXJLSKMOD-LSDHHAIUSA-N 1 1 379.551 3.162 20 30 GGEDMO C=C(C)C[NH+]1CCC(Nc2c(Br)cccc2S(C)(=O)=O)CC1 ZINC000287387637 566015694 /nfs/dbraw/zinc/01/56/94/566015694.db2.gz OWZHVBWSJQZXIZ-UHFFFAOYSA-N 1 1 387.343 3.305 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Br)c1 ZINC000365126890 566084644 /nfs/dbraw/zinc/08/46/44/566084644.db2.gz UGQBHWKYDAOCCI-UHFFFAOYSA-N 1 1 390.241 3.263 20 30 GGEDMO CCCCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000180892655 566097423 /nfs/dbraw/zinc/09/74/23/566097423.db2.gz IFFADCNTYHAQIS-UHFFFAOYSA-N 1 1 378.314 3.449 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 ZINC000249134923 566098227 /nfs/dbraw/zinc/09/82/27/566098227.db2.gz YOCPQWSWDVKABX-KSSFIOAISA-N 1 1 388.309 3.296 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(Br)c1 ZINC000180970715 566104006 /nfs/dbraw/zinc/10/40/06/566104006.db2.gz GPFPOEUPRPHDPT-MRXNPFEDSA-N 1 1 376.298 3.059 20 30 GGEDMO N#Cc1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)c(Br)c1 ZINC000181177006 566121705 /nfs/dbraw/zinc/12/17/05/566121705.db2.gz TYLOKXIXVUVRFY-UHFFFAOYSA-N 1 1 386.293 3.344 20 30 GGEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCOCC2CC2)CC1 ZINC000181437438 566140788 /nfs/dbraw/zinc/14/07/88/566140788.db2.gz UJKNAOWSOGOXOU-SFHVURJKSA-N 1 1 378.314 3.058 20 30 GGEDMO O[C@@H](COc1ccccc1F)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000265322623 566235280 /nfs/dbraw/zinc/23/52/80/566235280.db2.gz DOZZXTFOFJMBKM-SNVBAGLBSA-N 1 1 375.284 3.382 20 30 GGEDMO O[C@@H](COc1ccccc1F)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000265322623 566235283 /nfs/dbraw/zinc/23/52/83/566235283.db2.gz DOZZXTFOFJMBKM-SNVBAGLBSA-N 1 1 375.284 3.382 20 30 GGEDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183531317 566248499 /nfs/dbraw/zinc/24/84/99/566248499.db2.gz GTZSJGBJAHLFJF-UHFFFAOYSA-N 1 1 377.897 3.142 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526192 566272318 /nfs/dbraw/zinc/27/23/18/566272318.db2.gz GUIYTWOUQJZZJJ-MRXNPFEDSA-N 1 1 396.354 3.378 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000599541323 566273220 /nfs/dbraw/zinc/27/32/20/566273220.db2.gz HMSMQGPXKLLJEU-GHMZBOCLSA-N 1 1 388.256 3.386 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cc(F)c(Br)cc1F ZINC000599542739 566273283 /nfs/dbraw/zinc/27/32/83/566273283.db2.gz WNGWWPOMDWNJKW-LLVKDONJSA-N 1 1 399.239 3.034 20 30 GGEDMO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cc(F)c(Br)cc1F ZINC000599542783 566273439 /nfs/dbraw/zinc/27/34/39/566273439.db2.gz XQSYDPLXVIOGAW-XXFAHNHDSA-N 1 1 386.240 3.186 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000599541326 566273940 /nfs/dbraw/zinc/27/39/40/566273940.db2.gz HMSMQGPXKLLJEU-WDEREUQCSA-N 1 1 388.256 3.386 20 30 GGEDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000556282728 566281660 /nfs/dbraw/zinc/28/16/60/566281660.db2.gz ANOKWSYBNDFIJK-UHFFFAOYSA-N 1 1 383.945 3.147 20 30 GGEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625699282 566352270 /nfs/dbraw/zinc/35/22/70/566352270.db2.gz CWINLOHIUPDIGF-CVEARBPZSA-N 1 1 381.339 3.402 20 30 GGEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000510060183 566362403 /nfs/dbraw/zinc/36/24/03/566362403.db2.gz RXSRUJMZCNHGMX-UHFFFAOYSA-N 1 1 396.329 3.052 20 30 GGEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccncc3Br)C2=O)cc1 ZINC000601113718 566392317 /nfs/dbraw/zinc/39/23/17/566392317.db2.gz PXGRZLAGXGYRRZ-KRWDZBQOSA-N 1 1 385.265 3.001 20 30 GGEDMO C[N@@H+](CCc1cccc(Br)c1)CC(=O)NCc1cccc(C#N)c1 ZINC000463413607 566408683 /nfs/dbraw/zinc/40/86/83/566408683.db2.gz KYEAGNMESJIKAK-UHFFFAOYSA-N 1 1 386.293 3.111 20 30 GGEDMO C[N@@H+](CCc1cccc(Br)c1)CC(=O)NC1(C#N)CCCCC1 ZINC000463423672 566408796 /nfs/dbraw/zinc/40/87/96/566408796.db2.gz KIXPWVANNXUUAT-UHFFFAOYSA-N 1 1 378.314 3.266 20 30 GGEDMO C[N@@H+](CCc1cccc(Br)c1)CC(=O)NCc1ccc(C#N)cc1 ZINC000463422330 566408994 /nfs/dbraw/zinc/40/89/94/566408994.db2.gz ALNVMEDOWGEJHA-UHFFFAOYSA-N 1 1 386.293 3.111 20 30 GGEDMO C[N@H+](CCc1cccc(Br)c1)CC(=O)Nc1sccc1C#N ZINC000463413897 566409015 /nfs/dbraw/zinc/40/90/15/566409015.db2.gz FERKGYZGYRDVPD-UHFFFAOYSA-N 1 1 378.295 3.495 20 30 GGEDMO C[N@@H+](CCc1cccc(Br)c1)CC(=O)Nc1sccc1C#N ZINC000463413897 566409022 /nfs/dbraw/zinc/40/90/22/566409022.db2.gz FERKGYZGYRDVPD-UHFFFAOYSA-N 1 1 378.295 3.495 20 30 GGEDMO CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602445142 566471197 /nfs/dbraw/zinc/47/11/97/566471197.db2.gz SRVYAPVTCPZQOD-ZDUSSCGKSA-N 1 1 377.897 3.442 20 30 GGEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C2CC2)cc1 ZINC000602440859 566471351 /nfs/dbraw/zinc/47/13/51/566471351.db2.gz LZAMFQLVJZVZNT-UHFFFAOYSA-N 1 1 375.881 3.024 20 30 GGEDMO N#Cc1ccc(C[N@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C2CC2)cc1 ZINC000602440859 566471358 /nfs/dbraw/zinc/47/13/58/566471358.db2.gz LZAMFQLVJZVZNT-UHFFFAOYSA-N 1 1 375.881 3.024 20 30 GGEDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(Br)cc3C#N)sc2C1 ZINC000448606861 566481683 /nfs/dbraw/zinc/48/16/83/566481683.db2.gz WAAFCFSRNJYOJB-UHFFFAOYSA-N 1 1 391.294 3.408 20 30 GGEDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(Br)cc3C#N)sc2C1 ZINC000448606861 566481689 /nfs/dbraw/zinc/48/16/89/566481689.db2.gz WAAFCFSRNJYOJB-UHFFFAOYSA-N 1 1 391.294 3.408 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000448620592 566483703 /nfs/dbraw/zinc/48/37/03/566483703.db2.gz FMKXXNRZECVXKW-UHFFFAOYSA-N 1 1 398.304 3.321 20 30 GGEDMO C[C@@H](CNC(=O)c1cccc(C#N)c1Br)[N@H+]1CCc2ccccc2C1 ZINC000448667706 566485683 /nfs/dbraw/zinc/48/56/83/566485683.db2.gz LWTLULVXAJRBDP-AWEZNQCLSA-N 1 1 398.304 3.497 20 30 GGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448788577 566498148 /nfs/dbraw/zinc/49/81/48/566498148.db2.gz XVIOOVASOXRCIG-HZSPNIEDSA-N 1 1 378.314 3.417 20 30 GGEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000485691459 566517897 /nfs/dbraw/zinc/51/78/97/566517897.db2.gz XLEIFIHEHGTKSA-AWEZNQCLSA-N 1 1 375.519 3.353 20 30 GGEDMO C=CCn1cc(C[NH2+][C@@H](CCCOC)c2ccc(Br)cc2)nn1 ZINC000424290750 566525320 /nfs/dbraw/zinc/52/53/20/566525320.db2.gz CCQSGRJTYGOJRE-KRWDZBQOSA-N 1 1 379.302 3.484 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccsc1 ZINC000603632065 566535630 /nfs/dbraw/zinc/53/56/30/566535630.db2.gz QVPZNLHSAHYFLZ-SFHVURJKSA-N 1 1 377.535 3.122 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCCc2ccc(Br)cc21 ZINC000538781891 566536495 /nfs/dbraw/zinc/53/64/95/566536495.db2.gz DVIVAMRNNZZQQI-KRWDZBQOSA-N 1 1 388.313 3.398 20 30 GGEDMO C[N@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604081477 566553847 /nfs/dbraw/zinc/55/38/47/566553847.db2.gz VZILRHXIWJNICH-GOSISDBHSA-N 1 1 389.293 3.387 20 30 GGEDMO O[C@H](COc1ccccc1F)C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674460624 566594320 /nfs/dbraw/zinc/59/43/20/566594320.db2.gz RGUHJBCNRKGTHO-DCAQKATOSA-N 1 1 375.284 3.238 20 30 GGEDMO CCOc1cc(Cl)ccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000579345139 566600799 /nfs/dbraw/zinc/60/07/99/566600799.db2.gz QWINYRUVVQWFJN-UHFFFAOYSA-N 1 1 378.881 3.174 20 30 GGEDMO N#Cc1cccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1Br ZINC000449910888 566614744 /nfs/dbraw/zinc/61/47/44/566614744.db2.gz GZSFBIGDGCUVIO-UHFFFAOYSA-N 1 1 376.298 3.411 20 30 GGEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cn1 ZINC000579542911 566617807 /nfs/dbraw/zinc/61/78/07/566617807.db2.gz ABBILEOEHBXCBW-SCLBCKFNSA-N 1 1 399.292 3.167 20 30 GGEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)COc1cccc(Br)c1C#N ZINC000449967722 566620917 /nfs/dbraw/zinc/62/09/17/566620917.db2.gz VTVOJHNINZDNBV-CQSZACIVSA-N 1 1 394.313 3.032 20 30 GGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449964750 566621245 /nfs/dbraw/zinc/62/12/45/566621245.db2.gz JWOFXYXUOGBZTC-HNNXBMFYSA-N 1 1 394.313 3.032 20 30 GGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000449973229 566621459 /nfs/dbraw/zinc/62/14/59/566621459.db2.gz QMZMRTYGSWSABQ-UKRRQHHQSA-N 1 1 394.313 3.031 20 30 GGEDMO N#Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1Br ZINC000449982645 566622936 /nfs/dbraw/zinc/62/29/36/566622936.db2.gz VVDIISNPZLVJBM-OAHLLOKOSA-N 1 1 376.298 3.315 20 30 GGEDMO N#Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1Br ZINC000449982644 566623114 /nfs/dbraw/zinc/62/31/14/566623114.db2.gz VVDIISNPZLVJBM-HNNXBMFYSA-N 1 1 376.298 3.315 20 30 GGEDMO Cc1ccc(N2CCC(NC(=O)c3ccc(Br)cc3C#N)CC2)[nH+]c1 ZINC000449980411 566623127 /nfs/dbraw/zinc/62/31/27/566623127.db2.gz JMOMJXVVMYDVRN-UHFFFAOYSA-N 1 1 399.292 3.423 20 30 GGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000450133800 566637053 /nfs/dbraw/zinc/63/70/53/566637053.db2.gz HSDRHGVHILLICV-MSOLQXFVSA-N 1 1 393.325 3.121 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(Br)cc1 ZINC000514095266 566640642 /nfs/dbraw/zinc/64/06/42/566640642.db2.gz QFPZDTXJHADRJL-SFHVURJKSA-N 1 1 378.314 3.468 20 30 GGEDMO C[C@@H](CNc1ncc(Br)cc1C#N)[N@H+]1CCc2sccc2C1 ZINC000450240915 566647318 /nfs/dbraw/zinc/64/73/18/566647318.db2.gz JKDKHMXANVNKSC-NSHDSACASA-N 1 1 377.311 3.058 20 30 GGEDMO C[C@H](CNc1ncc(Br)cc1C#N)[N@H+]1CCc2sccc2C1 ZINC000450240914 566647764 /nfs/dbraw/zinc/64/77/64/566647764.db2.gz JKDKHMXANVNKSC-LLVKDONJSA-N 1 1 377.311 3.058 20 30 GGEDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505653 566650941 /nfs/dbraw/zinc/65/09/41/566650941.db2.gz BVRSLTDRZSAPJC-NKKGCODLSA-N 1 1 377.282 3.330 20 30 GGEDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505649 566650993 /nfs/dbraw/zinc/65/09/93/566650993.db2.gz BVRSLTDRZSAPJC-ISWURRPUSA-N 1 1 377.282 3.330 20 30 GGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487983137 566701405 /nfs/dbraw/zinc/70/14/05/566701405.db2.gz KDNDNUAHVXMSOC-ZDUSSCGKSA-N 1 1 379.302 3.420 20 30 GGEDMO C[N@H+](CCn1cc(Br)cn1)Cc1ccc(C#N)cc1OC(F)F ZINC000515476174 566714363 /nfs/dbraw/zinc/71/43/63/566714363.db2.gz HGQJZOLZTQNDQI-UHFFFAOYSA-N 1 1 385.212 3.251 20 30 GGEDMO C[N@@H+](CCn1cc(Br)cn1)Cc1ccc(C#N)cc1OC(F)F ZINC000515476174 566714366 /nfs/dbraw/zinc/71/43/66/566714366.db2.gz HGQJZOLZTQNDQI-UHFFFAOYSA-N 1 1 385.212 3.251 20 30 GGEDMO C=CCN1CC[C@H]([N@@H+](C)CCCC(=O)c2ccc(Br)cc2)C1=O ZINC000450911897 566720787 /nfs/dbraw/zinc/72/07/87/566720787.db2.gz XBERNTVQHAJLEH-INIZCTEOSA-N 1 1 379.298 3.131 20 30 GGEDMO C=CCN1CC[C@@H]([N@@H+](C)CCCC(=O)c2ccc(Br)cc2)C1=O ZINC000450911899 566720847 /nfs/dbraw/zinc/72/08/47/566720847.db2.gz XBERNTVQHAJLEH-MRXNPFEDSA-N 1 1 379.298 3.131 20 30 GGEDMO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451004533 566732024 /nfs/dbraw/zinc/73/20/24/566732024.db2.gz QBIRXSJUUYAOAS-UHFFFAOYSA-N 1 1 377.897 3.311 20 30 GGEDMO CC(C)[C@H](C#N)N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000609485700 566766698 /nfs/dbraw/zinc/76/66/98/566766698.db2.gz VNKGIFSMMQMROR-INIZCTEOSA-N 1 1 383.323 3.488 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000609634323 566778388 /nfs/dbraw/zinc/77/83/88/566778388.db2.gz FAQGKKULZJTMHE-MRXNPFEDSA-N 1 1 375.519 3.044 20 30 GGEDMO N#Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2c2ccc(Br)s2)C(N)=O)cc1 ZINC000562315134 566779661 /nfs/dbraw/zinc/77/96/61/566779661.db2.gz ORBYASXOSGKYCV-LALPHHSUSA-N 1 1 376.279 3.054 20 30 GGEDMO C[NH+](C)Cc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1Br ZINC000469496796 566794080 /nfs/dbraw/zinc/79/40/80/566794080.db2.gz ZLXZOUWKHHJWKV-UHFFFAOYSA-N 1 1 387.281 3.433 20 30 GGEDMO N#Cc1cnn2cc(C[N@H+]3CC[C@H](c4cccc(Br)c4)C3)cnc12 ZINC000581726967 566802122 /nfs/dbraw/zinc/80/21/22/566802122.db2.gz VEOKYNMPHUMLLD-HNNXBMFYSA-N 1 1 382.265 3.353 20 30 GGEDMO N#Cc1cnn2cc(C[N@@H+]3CC[C@H](c4cccc(Br)c4)C3)cnc12 ZINC000581726967 566802127 /nfs/dbraw/zinc/80/21/27/566802127.db2.gz VEOKYNMPHUMLLD-HNNXBMFYSA-N 1 1 382.265 3.353 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1C)c1ccsc1 ZINC000610133966 566809258 /nfs/dbraw/zinc/80/92/58/566809258.db2.gz BDQGXFLAQIHNHC-QGZVFWFLSA-N 1 1 377.535 3.290 20 30 GGEDMO N#Cc1ccnc(N2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000610211958 566815704 /nfs/dbraw/zinc/81/57/04/566815704.db2.gz HOOBEVFNMVDMGZ-UHFFFAOYSA-N 1 1 377.275 3.461 20 30 GGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000562836087 566826844 /nfs/dbraw/zinc/82/68/44/566826844.db2.gz VTCQBTJAPIFYIP-UHFFFAOYSA-N 1 1 377.897 3.271 20 30 GGEDMO C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1Cc1ccccc1 ZINC000451554236 566837168 /nfs/dbraw/zinc/83/71/68/566837168.db2.gz DPMBXCHKIZDGHV-KRWDZBQOSA-N 1 1 398.304 3.320 20 30 GGEDMO C[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1Cc1ccccc1 ZINC000451554236 566837177 /nfs/dbraw/zinc/83/71/77/566837177.db2.gz DPMBXCHKIZDGHV-KRWDZBQOSA-N 1 1 398.304 3.320 20 30 GGEDMO C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1Cc1ccccc1 ZINC000451554245 566838033 /nfs/dbraw/zinc/83/80/33/566838033.db2.gz DPMBXCHKIZDGHV-QGZVFWFLSA-N 1 1 398.304 3.320 20 30 GGEDMO C[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1Cc1ccccc1 ZINC000451554245 566838037 /nfs/dbraw/zinc/83/80/37/566838037.db2.gz DPMBXCHKIZDGHV-QGZVFWFLSA-N 1 1 398.304 3.320 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)cc1OC ZINC000470148162 566849746 /nfs/dbraw/zinc/84/97/46/566849746.db2.gz JFGWPXXYWGNAOS-GXTWGEPZSA-N 1 1 398.297 3.406 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)cc1OC ZINC000470148162 566849752 /nfs/dbraw/zinc/84/97/52/566849752.db2.gz JFGWPXXYWGNAOS-GXTWGEPZSA-N 1 1 398.297 3.406 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Br)C2)nc1 ZINC000428784498 566877112 /nfs/dbraw/zinc/87/71/12/566877112.db2.gz SWGWYMKBLGCNAS-MRXNPFEDSA-N 1 1 383.249 3.241 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3Br)C2)nc1 ZINC000428784498 566877120 /nfs/dbraw/zinc/87/71/20/566877120.db2.gz SWGWYMKBLGCNAS-MRXNPFEDSA-N 1 1 383.249 3.241 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1OC ZINC000543412863 566878695 /nfs/dbraw/zinc/87/86/95/566878695.db2.gz RRGQOPVUPZZLJD-DZKIICNBSA-N 1 1 382.298 3.225 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1OC ZINC000543412964 566879439 /nfs/dbraw/zinc/87/94/39/566879439.db2.gz RRGQOPVUPZZLJD-OFQRWUPVSA-N 1 1 382.298 3.225 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc3cc(Cl)ccc3s2)cc1 ZINC000582658779 566882205 /nfs/dbraw/zinc/88/22/05/566882205.db2.gz WRLWBSLCXGYDTM-UHFFFAOYSA-N 1 1 391.905 3.385 20 30 GGEDMO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Br ZINC000428818555 566882386 /nfs/dbraw/zinc/88/23/86/566882386.db2.gz NOGIYUHUFYHEBZ-HNNXBMFYSA-N 1 1 388.265 3.378 20 30 GGEDMO COc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Br ZINC000428818555 566882393 /nfs/dbraw/zinc/88/23/93/566882393.db2.gz NOGIYUHUFYHEBZ-HNNXBMFYSA-N 1 1 388.265 3.378 20 30 GGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429006780 566899334 /nfs/dbraw/zinc/89/93/34/566899334.db2.gz UGCXECKRIJJYLD-WBMJQRKESA-N 1 1 387.293 3.024 20 30 GGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429006777 566899436 /nfs/dbraw/zinc/89/94/36/566899436.db2.gz UGCXECKRIJJYLD-LRDDRELGSA-N 1 1 387.293 3.024 20 30 GGEDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000582897664 566904288 /nfs/dbraw/zinc/90/42/88/566904288.db2.gz KNLQVHNZJJKEGU-MRXNPFEDSA-N 1 1 382.957 3.074 20 30 GGEDMO C=CCOCCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000470873062 566910940 /nfs/dbraw/zinc/91/09/40/566910940.db2.gz IERUJPFSCPOULC-UHFFFAOYSA-N 1 1 387.307 3.109 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ncc(Br)s3)CC2)cc1 ZINC000543986100 566926370 /nfs/dbraw/zinc/92/63/70/566926370.db2.gz JDHMMSVAZSBKQQ-UHFFFAOYSA-N 1 1 391.338 3.485 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ncc(Br)s3)CC2)cc1 ZINC000543986100 566926377 /nfs/dbraw/zinc/92/63/77/566926377.db2.gz JDHMMSVAZSBKQQ-UHFFFAOYSA-N 1 1 391.338 3.485 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)c2cccnc12 ZINC000544126753 566942636 /nfs/dbraw/zinc/94/26/36/566942636.db2.gz HLLICBVVWVRDOL-UHFFFAOYSA-N 1 1 399.296 3.069 20 30 GGEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338359 566964186 /nfs/dbraw/zinc/96/41/86/566964186.db2.gz AVTVWHIRIZAIIN-DCGLDWPTSA-N 1 1 376.298 3.123 20 30 GGEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338361 566964458 /nfs/dbraw/zinc/96/44/58/566964458.db2.gz AVTVWHIRIZAIIN-OGHNNQOOSA-N 1 1 376.298 3.123 20 30 GGEDMO C=CCCn1cc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(Br)cc2)nn1 ZINC000657426001 567055660 /nfs/dbraw/zinc/05/56/60/567055660.db2.gz UNHDGHNGAPBNOF-GUYCJALGSA-N 1 1 379.302 3.483 20 30 GGEDMO N#Cc1ccncc1N1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000584696836 567061142 /nfs/dbraw/zinc/06/11/42/567061142.db2.gz BRMZQENRGZLOLW-UHFFFAOYSA-N 1 1 377.275 3.461 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c(Br)c1 ZINC000585718457 567082702 /nfs/dbraw/zinc/08/27/02/567082702.db2.gz HLVNFFLFGBDVGV-KRWDZBQOSA-N 1 1 378.314 3.007 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c(Br)c1 ZINC000585718457 567082707 /nfs/dbraw/zinc/08/27/07/567082707.db2.gz HLVNFFLFGBDVGV-KRWDZBQOSA-N 1 1 378.314 3.007 20 30 GGEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000453424319 567086900 /nfs/dbraw/zinc/08/69/00/567086900.db2.gz IQPWHGNXQQTRMK-UHFFFAOYSA-N 1 1 393.333 3.142 20 30 GGEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1Cl ZINC000588962150 567148482 /nfs/dbraw/zinc/14/84/82/567148482.db2.gz ZNYZIZBMFZWIOS-LLVKDONJSA-N 1 1 384.288 3.385 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccsc1 ZINC000523573817 567162326 /nfs/dbraw/zinc/16/23/26/567162326.db2.gz FJFYDZHXSYRKQQ-INIZCTEOSA-N 1 1 381.498 3.120 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000433000034 567214690 /nfs/dbraw/zinc/21/46/90/567214690.db2.gz DBRPRYODTVNPNM-CJNGLKHVSA-N 1 1 392.297 3.058 20 30 GGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433283944 567238842 /nfs/dbraw/zinc/23/88/42/567238842.db2.gz DFPHKYFKWOEPKD-MRXNPFEDSA-N 1 1 378.314 3.076 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433306457 567242492 /nfs/dbraw/zinc/24/24/92/567242492.db2.gz SDGIGRKBPDNLNK-DOTOQJQBSA-N 1 1 392.341 3.322 20 30 GGEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000547794665 567247104 /nfs/dbraw/zinc/24/71/04/567247104.db2.gz AKQMYXSAZVMURN-INIZCTEOSA-N 1 1 398.315 3.446 20 30 GGEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000475577026 567259096 /nfs/dbraw/zinc/25/90/96/567259096.db2.gz WRQXYKUQIGKUKB-UHFFFAOYSA-N 1 1 381.929 3.098 20 30 GGEDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000525886380 567272809 /nfs/dbraw/zinc/27/28/09/567272809.db2.gz IVTAROYEIZEPHK-OAHLLOKOSA-N 1 1 378.314 3.264 20 30 GGEDMO CCN(CCC#N)C(=O)C[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000475751540 567273269 /nfs/dbraw/zinc/27/32/69/567273269.db2.gz XMXJQIJCQLGWPH-UHFFFAOYSA-N 1 1 378.314 3.423 20 30 GGEDMO C=CCN1CC[C@@H]([N@@H+](C)CCOc2ccc(Cl)cc2Br)C1=O ZINC000500028126 567291937 /nfs/dbraw/zinc/29/19/37/567291937.db2.gz WVBWMDMOYMVWJC-CQSZACIVSA-N 1 1 387.705 3.200 20 30 GGEDMO C=CC[C@@H](CC)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455906324 567320087 /nfs/dbraw/zinc/32/00/87/567320087.db2.gz RTPFQMGXBDGHSC-CQSZACIVSA-N 1 1 396.333 3.072 20 30 GGEDMO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000527377620 567334728 /nfs/dbraw/zinc/33/47/28/567334728.db2.gz GAAAKTANMPZDHG-CQSZACIVSA-N 1 1 394.338 3.480 20 30 GGEDMO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000527377620 567334735 /nfs/dbraw/zinc/33/47/35/567334735.db2.gz GAAAKTANMPZDHG-CQSZACIVSA-N 1 1 394.338 3.480 20 30 GGEDMO N#CC1(NC(=O)C[NH+]2CCC(c3ccc(Br)cc3)CC2)CCC1 ZINC000548864995 567356919 /nfs/dbraw/zinc/35/69/19/567356919.db2.gz HNHHDPFKMHGGLB-UHFFFAOYSA-N 1 1 376.298 3.191 20 30 GGEDMO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccc(C#N)s2)c2cccs2)CC1 ZINC000435440748 567367763 /nfs/dbraw/zinc/36/77/63/567367763.db2.gz ZJNHROQCCVEPAF-HNNXBMFYSA-N 1 1 395.575 3.433 20 30 GGEDMO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(C#N)s2)c2cccs2)CC1 ZINC000435440749 567368077 /nfs/dbraw/zinc/36/80/77/567368077.db2.gz ZJNHROQCCVEPAF-OAHLLOKOSA-N 1 1 395.575 3.433 20 30 GGEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000549250293 567380835 /nfs/dbraw/zinc/38/08/35/567380835.db2.gz BISRVYVFVZQFGA-MRXNPFEDSA-N 1 1 398.315 3.446 20 30 GGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507142 567432684 /nfs/dbraw/zinc/43/26/84/567432684.db2.gz VWCUPMGLZGYOOS-NJAFHUGGSA-N 1 1 393.325 3.249 20 30 GGEDMO C[C@H]1COCC[N@H+]1C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000593989027 567450798 /nfs/dbraw/zinc/45/07/98/567450798.db2.gz XOUCMTAFZOUJFV-AWEZNQCLSA-N 1 1 378.314 3.006 20 30 GGEDMO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000593993561 567451401 /nfs/dbraw/zinc/45/14/01/567451401.db2.gz WBTHUYNPDFNLBJ-INIZCTEOSA-N 1 1 376.298 3.057 20 30 GGEDMO [NH3+][C@@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccc(F)cc1F ZINC000662615175 567452192 /nfs/dbraw/zinc/45/21/92/567452192.db2.gz XSHMAQQWVVQQQQ-SNVBAGLBSA-N 1 1 376.247 3.308 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccsc1 ZINC000619476123 567457503 /nfs/dbraw/zinc/45/75/03/567457503.db2.gz GBZHSDZYXBTNGK-SFHVURJKSA-N 1 1 377.535 3.176 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Br ZINC000594103934 567460513 /nfs/dbraw/zinc/46/05/13/567460513.db2.gz OUZZBTNFDRPHTQ-JKSUJKDBSA-N 1 1 377.286 3.459 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)s1 ZINC000619548611 567465320 /nfs/dbraw/zinc/46/53/20/567465320.db2.gz IQKQJQXXFCHXKC-KRWDZBQOSA-N 1 1 375.519 3.125 20 30 GGEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC(c2ccc(Br)cc2)CC1)C1CC1 ZINC000619723038 567475630 /nfs/dbraw/zinc/47/56/30/567475630.db2.gz FGZSRNHIMKKWOI-LJQANCHMSA-N 1 1 390.325 3.437 20 30 GGEDMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000619798367 567481620 /nfs/dbraw/zinc/48/16/20/567481620.db2.gz ZGZOPNRGTVIBFC-INIZCTEOSA-N 1 1 398.315 3.446 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000503447794 567486118 /nfs/dbraw/zinc/48/61/18/567486118.db2.gz NYAMTJVASBYEBT-UHFFFAOYSA-N 1 1 381.929 3.098 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000594757640 567507718 /nfs/dbraw/zinc/50/77/18/567507718.db2.gz HMTNNIAJJFAHDU-BLLLJJGKSA-N 1 1 377.535 3.042 20 30 GGEDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594773174 567510911 /nfs/dbraw/zinc/51/09/11/567510911.db2.gz WOXDHEIYFRDVBC-HNNXBMFYSA-N 1 1 377.535 3.186 20 30 GGEDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594773174 567510914 /nfs/dbraw/zinc/51/09/14/567510914.db2.gz WOXDHEIYFRDVBC-HNNXBMFYSA-N 1 1 377.535 3.186 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000458009057 567513420 /nfs/dbraw/zinc/51/34/20/567513420.db2.gz DARBRMIRNCQPGD-CYBMUJFWSA-N 1 1 385.327 3.390 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000458009057 567513428 /nfs/dbraw/zinc/51/34/28/567513428.db2.gz DARBRMIRNCQPGD-CYBMUJFWSA-N 1 1 385.327 3.390 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000594783438 567513503 /nfs/dbraw/zinc/51/35/03/567513503.db2.gz BDXNBCIWGYNLOZ-CQSZACIVSA-N 1 1 377.535 3.092 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000594783437 567513863 /nfs/dbraw/zinc/51/38/63/567513863.db2.gz BDXNBCIWGYNLOZ-AWEZNQCLSA-N 1 1 377.535 3.092 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000458030013 567514444 /nfs/dbraw/zinc/51/44/44/567514444.db2.gz HJDHCEMXRRVTLM-INIZCTEOSA-N 1 1 383.286 3.062 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000458030013 567514455 /nfs/dbraw/zinc/51/44/55/567514455.db2.gz HJDHCEMXRRVTLM-INIZCTEOSA-N 1 1 383.286 3.062 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000458030014 567514896 /nfs/dbraw/zinc/51/48/96/567514896.db2.gz HJDHCEMXRRVTLM-MRXNPFEDSA-N 1 1 383.286 3.062 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000458030014 567514902 /nfs/dbraw/zinc/51/49/02/567514902.db2.gz HJDHCEMXRRVTLM-MRXNPFEDSA-N 1 1 383.286 3.062 20 30 GGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479351010 567528203 /nfs/dbraw/zinc/52/82/03/567528203.db2.gz NWPOYDJNLPSTEB-JTQLQIEISA-N 1 1 384.288 3.363 20 30 GGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438844950 567550013 /nfs/dbraw/zinc/55/00/13/567550013.db2.gz ZOYLZGAQAXQIJZ-QGZVFWFLSA-N 1 1 393.256 3.332 20 30 GGEDMO CC(C)(CC#N)CS(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000571493627 567566803 /nfs/dbraw/zinc/56/68/03/567566803.db2.gz BQDHPJMEUUMKGZ-QGZVFWFLSA-N 1 1 383.945 3.336 20 30 GGEDMO O[C@@H](C[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)CC(F)(F)F ZINC000644677112 567569879 /nfs/dbraw/zinc/56/98/79/567569879.db2.gz MCZMXUKERMMGGQ-SCSAIBSYSA-N 1 1 384.089 3.408 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610731 567574071 /nfs/dbraw/zinc/57/40/71/567574071.db2.gz AVYRPWAYXLZIBS-OLZOCXBDSA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610731 567574067 /nfs/dbraw/zinc/57/40/67/567574067.db2.gz AVYRPWAYXLZIBS-OLZOCXBDSA-N 1 1 397.260 3.244 20 30 GGEDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000439474378 567588364 /nfs/dbraw/zinc/58/83/64/567588364.db2.gz XBOHFAMYUDBGBA-GOSISDBHSA-N 1 1 395.297 3.112 20 30 GGEDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000439474378 567588373 /nfs/dbraw/zinc/58/83/73/567588373.db2.gz XBOHFAMYUDBGBA-GOSISDBHSA-N 1 1 395.297 3.112 20 30 GGEDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000439474379 567589403 /nfs/dbraw/zinc/58/94/03/567589403.db2.gz XBOHFAMYUDBGBA-SFHVURJKSA-N 1 1 395.297 3.112 20 30 GGEDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000439474379 567589404 /nfs/dbraw/zinc/58/94/04/567589404.db2.gz XBOHFAMYUDBGBA-SFHVURJKSA-N 1 1 395.297 3.112 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000530335776 567594014 /nfs/dbraw/zinc/59/40/14/567594014.db2.gz TVBOFWIIDPTPDU-TZMCWYRMSA-N 1 1 382.291 3.397 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000530335776 567594018 /nfs/dbraw/zinc/59/40/18/567594018.db2.gz TVBOFWIIDPTPDU-TZMCWYRMSA-N 1 1 382.291 3.397 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000530336575 567594098 /nfs/dbraw/zinc/59/40/98/567594098.db2.gz SCOSKZLCBDPSHV-CQSZACIVSA-N 1 1 388.309 3.489 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000530336575 567594104 /nfs/dbraw/zinc/59/41/04/567594104.db2.gz SCOSKZLCBDPSHV-CQSZACIVSA-N 1 1 388.309 3.489 20 30 GGEDMO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCC(=O)N(C)CCC#N ZINC000571865180 567595781 /nfs/dbraw/zinc/59/57/81/567595781.db2.gz FGTIMYKRCOHIFE-OAHLLOKOSA-N 1 1 378.314 3.348 20 30 GGEDMO N#CC1(NC(=O)C[N@@H+](Cc2cccc(Br)c2)CC2CC2)CCC1 ZINC000530394451 567597555 /nfs/dbraw/zinc/59/75/55/567597555.db2.gz VQIQMEXGBWNOCC-UHFFFAOYSA-N 1 1 376.298 3.224 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)cc1OC ZINC000621738970 567609171 /nfs/dbraw/zinc/60/91/71/567609171.db2.gz YKWQOCMFXTWXEB-ZFWWWQNUSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)cc1OC ZINC000621738970 567609172 /nfs/dbraw/zinc/60/91/72/567609172.db2.gz YKWQOCMFXTWXEB-ZFWWWQNUSA-N 1 1 384.314 3.473 20 30 GGEDMO N#Cc1c(Br)cccc1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000439957217 567610130 /nfs/dbraw/zinc/61/01/30/567610130.db2.gz CFDMXBBXEDGKMT-MRXNPFEDSA-N 1 1 386.293 3.152 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530617674 567614689 /nfs/dbraw/zinc/61/46/89/567614689.db2.gz HEFWLUAZFSLLDY-KRWDZBQOSA-N 1 1 377.897 3.101 20 30 GGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000596461385 567634497 /nfs/dbraw/zinc/63/44/97/567634497.db2.gz HRUASBVMAZXMFG-SFHVURJKSA-N 1 1 385.309 3.469 20 30 GGEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000596461384 567634654 /nfs/dbraw/zinc/63/46/54/567634654.db2.gz HRUASBVMAZXMFG-GOSISDBHSA-N 1 1 385.309 3.469 20 30 GGEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000531094716 567640523 /nfs/dbraw/zinc/64/05/23/567640523.db2.gz OCBMKRZEGLCTQC-KRWDZBQOSA-N 1 1 398.315 3.446 20 30 GGEDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cc(Cl)ccc1Cl ZINC000572797189 567665467 /nfs/dbraw/zinc/66/54/67/567665467.db2.gz KJFPLMRAFRHJBD-NSHDSACASA-N 1 1 384.288 3.385 20 30 GGEDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000572916556 567675287 /nfs/dbraw/zinc/67/52/87/567675287.db2.gz IEZYBADYYLPNFJ-CQSZACIVSA-N 1 1 383.945 3.094 20 30 GGEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1Cl ZINC000507352264 567676340 /nfs/dbraw/zinc/67/63/40/567676340.db2.gz IXGDMLOACTVWEP-MRXNPFEDSA-N 1 1 386.945 3.199 20 30 GGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1Cl ZINC000507352264 567676346 /nfs/dbraw/zinc/67/63/46/567676346.db2.gz IXGDMLOACTVWEP-MRXNPFEDSA-N 1 1 386.945 3.199 20 30 GGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000597178476 567686167 /nfs/dbraw/zinc/68/61/67/567686167.db2.gz YAYHOBPVDDEMTG-OAHLLOKOSA-N 1 1 378.314 3.411 20 30 GGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000597178476 567686175 /nfs/dbraw/zinc/68/61/75/567686175.db2.gz YAYHOBPVDDEMTG-OAHLLOKOSA-N 1 1 378.314 3.411 20 30 GGEDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000597676664 567710936 /nfs/dbraw/zinc/71/09/36/567710936.db2.gz BMZPHNXUIYAWNZ-LBPRGKRZSA-N 1 1 382.291 3.190 20 30 GGEDMO COc1cc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)ccc1C#N ZINC000442890245 567715957 /nfs/dbraw/zinc/71/59/57/567715957.db2.gz NZWAELXNFQSDEP-KRWDZBQOSA-N 1 1 375.266 3.495 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccco1 ZINC000443038379 567726337 /nfs/dbraw/zinc/72/63/37/567726337.db2.gz QBMYDGGRNRHPIY-HNNXBMFYSA-N 1 1 381.885 3.166 20 30 GGEDMO Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1C#N ZINC000533095820 567752101 /nfs/dbraw/zinc/75/21/01/567752101.db2.gz UYTQZXGCNGXUJH-KRWDZBQOSA-N 1 1 377.897 3.101 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000554919231 567756496 /nfs/dbraw/zinc/75/64/96/567756496.db2.gz PWTWFXPKABUTJK-KRWDZBQOSA-N 1 1 377.897 3.101 20 30 GGEDMO Cc1cccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1C#N ZINC000554924074 567756892 /nfs/dbraw/zinc/75/68/92/567756892.db2.gz VCCAOKHRZURGPT-KRWDZBQOSA-N 1 1 377.897 3.101 20 30 GGEDMO COCC[N@H+](Cc1cc(Br)cs1)C[C@@H](O)CC(C)(C)C#N ZINC000598607625 567778806 /nfs/dbraw/zinc/77/88/06/567778806.db2.gz BKMPLGFKEVCPGA-ZDUSSCGKSA-N 1 1 375.332 3.260 20 30 GGEDMO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000598613419 567779263 /nfs/dbraw/zinc/77/92/63/567779263.db2.gz XGXVOGNKYVMNAA-BXUZGUMPSA-N 1 1 393.285 3.450 20 30 GGEDMO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000598613420 567779383 /nfs/dbraw/zinc/77/93/83/567779383.db2.gz XGXVOGNKYVMNAA-FZMZJTMJSA-N 1 1 393.285 3.450 20 30 GGEDMO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598614212 567780541 /nfs/dbraw/zinc/78/05/41/567780541.db2.gz BKLBPYXYQFDIIP-INIZCTEOSA-N 1 1 386.323 3.232 20 30 GGEDMO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598614212 567780543 /nfs/dbraw/zinc/78/05/43/567780543.db2.gz BKLBPYXYQFDIIP-INIZCTEOSA-N 1 1 386.323 3.232 20 30 GGEDMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)s1 ZINC000443954994 567781089 /nfs/dbraw/zinc/78/10/89/567781089.db2.gz BEACJOJZOLYYBS-UHFFFAOYSA-N 1 1 377.535 3.249 20 30 GGEDMO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F ZINC000598727098 567785961 /nfs/dbraw/zinc/78/59/61/567785961.db2.gz ZGYFJBAKWXXYKI-SSDOTTSWSA-N 1 1 383.183 3.396 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCOc3ccccc3Br)C2)nc1 ZINC000555653179 567794160 /nfs/dbraw/zinc/79/41/60/567794160.db2.gz RLFZDNDQBOSTOK-OAHLLOKOSA-N 1 1 388.265 3.248 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCOc3ccccc3Br)C2)nc1 ZINC000555653179 567794164 /nfs/dbraw/zinc/79/41/64/567794164.db2.gz RLFZDNDQBOSTOK-OAHLLOKOSA-N 1 1 388.265 3.248 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CCOc3ccccc3Br)C2)nc1 ZINC000555653177 567794258 /nfs/dbraw/zinc/79/42/58/567794258.db2.gz RLFZDNDQBOSTOK-HNNXBMFYSA-N 1 1 388.265 3.248 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCOc3ccccc3Br)C2)nc1 ZINC000555653177 567794261 /nfs/dbraw/zinc/79/42/61/567794261.db2.gz RLFZDNDQBOSTOK-HNNXBMFYSA-N 1 1 388.265 3.248 20 30 GGEDMO C[N@H+](Cc1ccc(Br)s1)C[C@H](O)COc1ccccc1C#N ZINC000599259995 567812109 /nfs/dbraw/zinc/81/21/09/567812109.db2.gz SXZNANHQUFKHTP-ZDUSSCGKSA-N 1 1 381.295 3.254 20 30 GGEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)c(OC)c1 ZINC000014200955 570295842 /nfs/dbraw/zinc/29/58/42/570295842.db2.gz UMXZHSKIJGXQOE-DYESRHJHSA-N 1 1 382.460 3.152 20 30 GGEDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052801196 570908339 /nfs/dbraw/zinc/90/83/39/570908339.db2.gz HKXAKHOQMMVSCX-KRWDZBQOSA-N 1 1 378.476 3.106 20 30 GGEDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052801196 570908341 /nfs/dbraw/zinc/90/83/41/570908341.db2.gz HKXAKHOQMMVSCX-KRWDZBQOSA-N 1 1 378.476 3.106 20 30 GGEDMO C=CC[N@@H+](Cc1ccccc1)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000735426276 598850336 /nfs/dbraw/zinc/85/03/36/598850336.db2.gz ODUARGGORUZEJH-UHFFFAOYSA-N 1 1 386.463 3.079 20 30 GGEDMO C[C@H](CCN(C)Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000820242947 607264125 /nfs/dbraw/zinc/26/41/25/607264125.db2.gz ROAGNICPUXEORZ-QGZVFWFLSA-N 1 1 389.507 3.081 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736534973 598758543 /nfs/dbraw/zinc/75/85/43/598758543.db2.gz PDAILDIWNRHMMA-OAHLLOKOSA-N 1 1 389.463 3.150 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000736534270 598758741 /nfs/dbraw/zinc/75/87/41/598758741.db2.gz KCWWWFZPDCCAKY-OAHLLOKOSA-N 1 1 389.463 3.150 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000736813361 600593504 /nfs/dbraw/zinc/59/35/04/600593504.db2.gz DJAQSZWXJXPOQN-JKSBSHDWSA-N 1 1 393.487 3.083 20 30 GGEDMO CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cs1 ZINC000830315591 601304799 /nfs/dbraw/zinc/30/47/99/601304799.db2.gz ZGMSZLBFSRSMBJ-HXUWFJFHSA-N 1 1 398.532 3.205 20 30 GGEDMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820116867 606889034 /nfs/dbraw/zinc/88/90/34/606889034.db2.gz QNYYZYXWZUEISH-UHFFFAOYSA-N 1 1 376.464 3.418 20 30 GGEDMO C=CC[N@H+](Cc1cn(C)nc1-c1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915027 608581954 /nfs/dbraw/zinc/58/19/54/608581954.db2.gz ROXNGWUPGBSNTA-UHFFFAOYSA-N 1 1 385.475 3.455 20 30 GGEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)C1CC1 ZINC000052940501 1406238316 /nfs/dbraw/zinc/23/83/16/1406238316.db2.gz BTTUJBQURJUHDK-UHFFFAOYSA-N 1 1 396.491 3.024 20 30 GGEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)C1CC1 ZINC000052940501 1406238329 /nfs/dbraw/zinc/23/83/29/1406238329.db2.gz BTTUJBQURJUHDK-UHFFFAOYSA-N 1 1 396.491 3.024 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)C1CC1 ZINC000052993583 1406252407 /nfs/dbraw/zinc/25/24/07/1406252407.db2.gz AJKOIPZBDZPHPD-FQEVSTJZSA-N 1 1 386.883 3.469 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000053099540 1406292004 /nfs/dbraw/zinc/29/20/04/1406292004.db2.gz ZVIRYPATZFWENG-GOSISDBHSA-N 1 1 382.533 3.201 20 30 GGEDMO CC(=O)Nc1ccc(F)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000053179227 1406315444 /nfs/dbraw/zinc/31/54/44/1406315444.db2.gz UKGSGHUUACRSCD-UHFFFAOYSA-N 1 1 394.450 3.004 20 30 GGEDMO CC(=O)Nc1ccc(F)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000053179227 1406315460 /nfs/dbraw/zinc/31/54/60/1406315460.db2.gz UKGSGHUUACRSCD-UHFFFAOYSA-N 1 1 394.450 3.004 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccccc2SC)c1 ZINC000053206739 1406323655 /nfs/dbraw/zinc/32/36/55/1406323655.db2.gz RFRXHOZEYFRXAJ-UHFFFAOYSA-N 1 1 381.501 3.289 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccccc2SC)c1 ZINC000053206739 1406323669 /nfs/dbraw/zinc/32/36/69/1406323669.db2.gz RFRXHOZEYFRXAJ-UHFFFAOYSA-N 1 1 381.501 3.289 20 30 GGEDMO C=CCc1ccc(OCC(=O)NCC[N@@H+]2CCc3sccc3C2)c(OC)c1 ZINC000053267458 1406348828 /nfs/dbraw/zinc/34/88/28/1406348828.db2.gz MYFWCMJPEMVYND-UHFFFAOYSA-N 1 1 386.517 3.039 20 30 GGEDMO C=CCc1ccc(OCC(=O)NCC[N@H+]2CCc3sccc3C2)c(OC)c1 ZINC000053267458 1406348841 /nfs/dbraw/zinc/34/88/41/1406348841.db2.gz MYFWCMJPEMVYND-UHFFFAOYSA-N 1 1 386.517 3.039 20 30 GGEDMO Cc1noc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)n1 ZINC000053639715 1406467831 /nfs/dbraw/zinc/46/78/31/1406467831.db2.gz XRVFFRBTJHOZIK-MRXNPFEDSA-N 1 1 381.480 3.201 20 30 GGEDMO NC(=[NH+]OCCOc1ccc(Cl)cc1Br)C1CCOCC1 ZINC000112086729 1412073904 /nfs/dbraw/zinc/07/39/04/1412073904.db2.gz SZGUSUBRHAJARH-UHFFFAOYSA-N 1 1 377.666 3.197 20 30 GGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH+]2CCC(OC)CC2)cc1 ZINC000054256982 1406667872 /nfs/dbraw/zinc/66/78/72/1406667872.db2.gz RNUPXQVNINFXHT-UHFFFAOYSA-N 1 1 396.491 3.024 20 30 GGEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(F)c1)Cc1ccc(OC)cc1 ZINC000054272166 1406673358 /nfs/dbraw/zinc/67/33/58/1406673358.db2.gz DRMJQMMYSDASEL-UHFFFAOYSA-N 1 1 386.467 3.490 20 30 GGEDMO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)c(F)c1)Cc1ccc(OC)cc1 ZINC000054272166 1406673361 /nfs/dbraw/zinc/67/33/61/1406673361.db2.gz DRMJQMMYSDASEL-UHFFFAOYSA-N 1 1 386.467 3.490 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000054292936 1406683543 /nfs/dbraw/zinc/68/35/43/1406683543.db2.gz ZSXLFXWZLFESTM-UHFFFAOYSA-N 1 1 396.535 3.392 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000054377252 1406708566 /nfs/dbraw/zinc/70/85/66/1406708566.db2.gz ZITOOCVYQKKWTI-UHFFFAOYSA-N 1 1 392.459 3.069 20 30 GGEDMO Cc1cc(C)cc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054454771 1406741715 /nfs/dbraw/zinc/74/17/15/1406741715.db2.gz MOPJLBAWEXTZTL-UHFFFAOYSA-N 1 1 376.504 3.322 20 30 GGEDMO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054643131 1406794023 /nfs/dbraw/zinc/79/40/23/1406794023.db2.gz SDCXNNIXHRBMOU-FQEVSTJZSA-N 1 1 390.531 3.286 20 30 GGEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054643131 1406794033 /nfs/dbraw/zinc/79/40/33/1406794033.db2.gz SDCXNNIXHRBMOU-FQEVSTJZSA-N 1 1 390.531 3.286 20 30 GGEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000054643131 1406794041 /nfs/dbraw/zinc/79/40/41/1406794041.db2.gz SDCXNNIXHRBMOU-FQEVSTJZSA-N 1 1 390.531 3.286 20 30 GGEDMO CCc1cccc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054642652 1406793270 /nfs/dbraw/zinc/79/32/70/1406793270.db2.gz QFGNHOUQSGLXHA-UHFFFAOYSA-N 1 1 376.504 3.267 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)n1 ZINC000054677253 1406803239 /nfs/dbraw/zinc/80/32/39/1406803239.db2.gz SSOFVCVWIFYPGO-GOSISDBHSA-N 1 1 381.480 3.121 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)n1 ZINC000054677253 1406803241 /nfs/dbraw/zinc/80/32/41/1406803241.db2.gz SSOFVCVWIFYPGO-GOSISDBHSA-N 1 1 381.480 3.121 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055031790 1406873995 /nfs/dbraw/zinc/87/39/95/1406873995.db2.gz RCWNKJUIXBTFOI-KRWDZBQOSA-N 1 1 397.523 3.004 20 30 GGEDMO CC1CCC(N(C)C(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000055172040 1406897432 /nfs/dbraw/zinc/89/74/32/1406897432.db2.gz LRCCZYDTTJUKOI-UHFFFAOYSA-N 1 1 382.552 3.103 20 30 GGEDMO CC1CCC(N(C)C(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000055172040 1406897440 /nfs/dbraw/zinc/89/74/40/1406897440.db2.gz LRCCZYDTTJUKOI-UHFFFAOYSA-N 1 1 382.552 3.103 20 30 GGEDMO CC1CCC(N(C)C(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000055172040 1406897441 /nfs/dbraw/zinc/89/74/41/1406897441.db2.gz LRCCZYDTTJUKOI-UHFFFAOYSA-N 1 1 382.552 3.103 20 30 GGEDMO COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000055277778 1406918983 /nfs/dbraw/zinc/91/89/83/1406918983.db2.gz MDOUQUCJTXLJPS-FQEVSTJZSA-N 1 1 399.516 3.072 20 30 GGEDMO CCc1ccccc1OCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055309674 1406926343 /nfs/dbraw/zinc/92/63/43/1406926343.db2.gz CWGWBKZPQAVAGA-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO CCc1ccccc1OCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055309674 1406926350 /nfs/dbraw/zinc/92/63/50/1406926350.db2.gz CWGWBKZPQAVAGA-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc2c(c1)OCO2 ZINC000011364512 1398973343 /nfs/dbraw/zinc/97/33/43/1398973343.db2.gz JQJZLQKGARTIIC-UHFFFAOYSA-N 1 1 383.473 3.492 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc2c(c1)OCO2 ZINC000011364512 1398973344 /nfs/dbraw/zinc/97/33/44/1398973344.db2.gz JQJZLQKGARTIIC-UHFFFAOYSA-N 1 1 383.473 3.492 20 30 GGEDMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000015347748 1399156062 /nfs/dbraw/zinc/15/60/62/1399156062.db2.gz DBCZJZBDADJZOP-OAQYLSRUSA-N 1 1 399.516 3.072 20 30 GGEDMO COc1ccc(NC(=O)CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000015397248 1399160750 /nfs/dbraw/zinc/16/07/50/1399160750.db2.gz UXXLCXVXFJJRGA-UHFFFAOYSA-N 1 1 387.480 3.148 20 30 GGEDMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000015449479 1399165228 /nfs/dbraw/zinc/16/52/28/1399165228.db2.gz PWMCEPCUPDXJSO-IBGZPJMESA-N 1 1 380.444 3.238 20 30 GGEDMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000015449479 1399165232 /nfs/dbraw/zinc/16/52/32/1399165232.db2.gz PWMCEPCUPDXJSO-IBGZPJMESA-N 1 1 380.444 3.238 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000016734797 1399259410 /nfs/dbraw/zinc/25/94/10/1399259410.db2.gz KILHNMCTUUJTKN-FPOVZHCZSA-N 1 1 381.501 3.004 20 30 GGEDMO C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406199 1399378839 /nfs/dbraw/zinc/37/88/39/1399378839.db2.gz FRLKNLZWGRHABX-INIZCTEOSA-N 1 1 398.457 3.371 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(Cc3ccccc3)CC1)CCC2 ZINC000022197596 1399444840 /nfs/dbraw/zinc/44/48/40/1399444840.db2.gz DRYFWGYJZCJKDG-UHFFFAOYSA-N 1 1 394.544 3.255 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023365692 1399553448 /nfs/dbraw/zinc/55/34/48/1399553448.db2.gz MNHLVLYTMRRQNV-AWEZNQCLSA-N 1 1 388.924 3.418 20 30 GGEDMO COc1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)ccc1OC(F)F ZINC000023408729 1399557586 /nfs/dbraw/zinc/55/75/86/1399557586.db2.gz NAAVRHNPGAXHIK-MRXNPFEDSA-N 1 1 392.402 3.040 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000023451360 1399562034 /nfs/dbraw/zinc/56/20/34/1399562034.db2.gz YGBGJSWQRHCVLA-UHFFFAOYSA-N 1 1 385.471 3.296 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000023451360 1399562037 /nfs/dbraw/zinc/56/20/37/1399562037.db2.gz YGBGJSWQRHCVLA-UHFFFAOYSA-N 1 1 385.471 3.296 20 30 GGEDMO Cc1ccc(O[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023450816 1399562233 /nfs/dbraw/zinc/56/22/33/1399562233.db2.gz WVHIVJJRSJXLRT-IBGZPJMESA-N 1 1 377.488 3.369 20 30 GGEDMO 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ZINC000028657295 1400181281 /nfs/dbraw/zinc/18/12/81/1400181281.db2.gz UYZKEQGAMXORFW-UNMCSNQZSA-N 1 1 377.488 3.268 20 30 GGEDMO COc1ccccc1NC(=O)[C@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961369 1400216663 /nfs/dbraw/zinc/21/66/63/1400216663.db2.gz LVNLHAXOEGORIL-SFHVURJKSA-N 1 1 392.503 3.102 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000028961201 1400216812 /nfs/dbraw/zinc/21/68/12/1400216812.db2.gz GCXGJTJYQVIOFB-UHFFFAOYSA-N 1 1 388.515 3.193 20 30 GGEDMO CCOc1ccccc1NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028960490 1400216832 /nfs/dbraw/zinc/21/68/32/1400216832.db2.gz GRIYXXKJLZOXIG-UHFFFAOYSA-N 1 1 392.503 3.103 20 30 GGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029095554 1400238038 /nfs/dbraw/zinc/23/80/38/1400238038.db2.gz SHXVBGSDLOZJMC-QGZVFWFLSA-N 1 1 381.451 3.199 20 30 GGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029095554 1400238043 /nfs/dbraw/zinc/23/80/43/1400238043.db2.gz SHXVBGSDLOZJMC-QGZVFWFLSA-N 1 1 381.451 3.199 20 30 GGEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000029227480 1400262135 /nfs/dbraw/zinc/26/21/35/1400262135.db2.gz QEJKLECQSAUMST-UHFFFAOYSA-N 1 1 399.882 3.228 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029827732 1400358768 /nfs/dbraw/zinc/35/87/68/1400358768.db2.gz QTMLHUZPZHVPDW-QZTJIDSGSA-N 1 1 377.444 3.319 20 30 GGEDMO CCCCNC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000029926906 1400380129 /nfs/dbraw/zinc/38/01/29/1400380129.db2.gz YUAAGQGDALGTSV-UHFFFAOYSA-N 1 1 398.551 3.178 20 30 GGEDMO CCCCNC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000029928246 1400381135 /nfs/dbraw/zinc/38/11/35/1400381135.db2.gz OFTVYODZTXCMOB-UHFFFAOYSA-N 1 1 398.551 3.178 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000029985030 1400391639 /nfs/dbraw/zinc/39/16/39/1400391639.db2.gz YHRPCCNWVDZBQT-UHFFFAOYSA-N 1 1 385.471 3.092 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000029985030 1400391643 /nfs/dbraw/zinc/39/16/43/1400391643.db2.gz YHRPCCNWVDZBQT-UHFFFAOYSA-N 1 1 385.471 3.092 20 30 GGEDMO CC[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742095 1400406747 /nfs/dbraw/zinc/40/67/47/1400406747.db2.gz WXYDYQIASSYUHJ-INIZCTEOSA-N 1 1 390.487 3.472 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742095 1400406757 /nfs/dbraw/zinc/40/67/57/1400406757.db2.gz WXYDYQIASSYUHJ-INIZCTEOSA-N 1 1 390.487 3.472 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000042741701 1400407199 /nfs/dbraw/zinc/40/71/99/1400407199.db2.gz QUWGDHQUAUIISM-CQSZACIVSA-N 1 1 382.420 3.497 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000042741701 1400407204 /nfs/dbraw/zinc/40/72/04/1400407204.db2.gz QUWGDHQUAUIISM-CQSZACIVSA-N 1 1 382.420 3.497 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741686 1400407226 /nfs/dbraw/zinc/40/72/26/1400407226.db2.gz ZSGDLHATSSHVRD-INIZCTEOSA-N 1 1 378.476 3.282 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741686 1400407229 /nfs/dbraw/zinc/40/72/29/1400407229.db2.gz ZSGDLHATSSHVRD-INIZCTEOSA-N 1 1 378.476 3.282 20 30 GGEDMO COc1ccc(NC(=O)CC[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000055900759 1407125469 /nfs/dbraw/zinc/12/54/69/1407125469.db2.gz ZYRLKGRXFIPBNF-UHFFFAOYSA-N 1 1 392.503 3.103 20 30 GGEDMO N#CCOc1ccc(/C=C/C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000056039290 1407178568 /nfs/dbraw/zinc/17/85/68/1407178568.db2.gz LXXKTGVHNSZCRC-BJMVGYQFSA-N 1 1 391.471 3.116 20 30 GGEDMO CSc1nc(C2CC2)cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c1C#N ZINC000056191983 1407247085 /nfs/dbraw/zinc/24/70/85/1407247085.db2.gz LNGGDNCFOQNGNM-UHFFFAOYSA-N 1 1 380.517 3.414 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)CN2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000056495751 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1 1 393.535 3.475 20 30 GGEDMO C=CCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000045053583 1404045513 /nfs/dbraw/zinc/04/55/13/1404045513.db2.gz OBIJDRDSMKTHQS-LJQANCHMSA-N 1 1 385.533 3.031 20 30 GGEDMO COCc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046032763 1404280765 /nfs/dbraw/zinc/28/07/65/1404280765.db2.gz SDEBVJZDJXTASA-UHFFFAOYSA-N 1 1 378.476 3.444 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000046086648 1404292592 /nfs/dbraw/zinc/29/25/92/1404292592.db2.gz DPUBURCGOFLSDI-KNQAVFIVSA-N 1 1 380.536 3.252 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000046086648 1404292604 /nfs/dbraw/zinc/29/26/04/1404292604.db2.gz DPUBURCGOFLSDI-KNQAVFIVSA-N 1 1 380.536 3.252 20 30 GGEDMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046087076 1404292793 /nfs/dbraw/zinc/29/27/93/1404292793.db2.gz QGJPQKAMNLWKRB-GOSISDBHSA-N 1 1 394.494 3.429 20 30 GGEDMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046087076 1404292806 /nfs/dbraw/zinc/29/28/06/1404292806.db2.gz QGJPQKAMNLWKRB-GOSISDBHSA-N 1 1 394.494 3.429 20 30 GGEDMO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086874 1404293283 /nfs/dbraw/zinc/29/32/83/1404293283.db2.gz DTJXEDKSGHBFJQ-NRFANRHFSA-N 1 1 379.504 3.127 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000046086447 1404293323 /nfs/dbraw/zinc/29/33/23/1404293323.db2.gz WRMYLSUAOFQNNB-UHFFFAOYSA-N 1 1 377.423 3.460 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000046086447 1404293327 /nfs/dbraw/zinc/29/33/27/1404293327.db2.gz WRMYLSUAOFQNNB-UHFFFAOYSA-N 1 1 377.423 3.460 20 30 GGEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000046087364 1404293381 /nfs/dbraw/zinc/29/33/81/1404293381.db2.gz DMNBBZSKCUFSAX-KRWDZBQOSA-N 1 1 399.535 3.180 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(OC)c1 ZINC000046343145 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ZINC000048207291 1405097963 /nfs/dbraw/zinc/09/79/63/1405097963.db2.gz LDVNPFFBSNGBCR-UHFFFAOYSA-N 1 1 379.464 3.092 20 30 GGEDMO CCOc1ncccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000048207291 1405097972 /nfs/dbraw/zinc/09/79/72/1405097972.db2.gz LDVNPFFBSNGBCR-UHFFFAOYSA-N 1 1 379.464 3.092 20 30 GGEDMO CN1CC[NH+](Cc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)CC1 ZINC000048226301 1405105871 /nfs/dbraw/zinc/10/58/71/1405105871.db2.gz MYEXDHVFDKKGDD-UHFFFAOYSA-N 1 1 394.544 3.178 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)CCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000048360580 1405163880 /nfs/dbraw/zinc/16/38/80/1405163880.db2.gz UUZDPFQVIQJVQW-OALUTQOASA-N 1 1 391.515 3.416 20 30 GGEDMO N#CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000048516385 1405213918 /nfs/dbraw/zinc/21/39/18/1405213918.db2.gz YVAVEPKVPTYLCG-UHFFFAOYSA-N 1 1 389.459 3.200 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000048982881 1405330732 /nfs/dbraw/zinc/33/07/32/1405330732.db2.gz 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N#Cc1ccc(CN2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000051181038 1405738239 /nfs/dbraw/zinc/73/82/39/1405738239.db2.gz WEEQEHAGXFBFCZ-UHFFFAOYSA-N 1 1 380.448 3.053 20 30 GGEDMO C=CC[N@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)Cc1ccccc1 ZINC000051400817 1405804975 /nfs/dbraw/zinc/80/49/75/1405804975.db2.gz SSNYZPGZAVGQKW-UHFFFAOYSA-N 1 1 391.515 3.113 20 30 GGEDMO C=CC[N@@H+](CC(=O)NCc1ccccc1CN1CCCC1=O)Cc1ccccc1 ZINC000051400817 1405804976 /nfs/dbraw/zinc/80/49/76/1405804976.db2.gz SSNYZPGZAVGQKW-UHFFFAOYSA-N 1 1 391.515 3.113 20 30 GGEDMO N#Cc1cccc(OCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000051406649 1405806134 /nfs/dbraw/zinc/80/61/34/1405806134.db2.gz JEHDNELWKNVYOU-UHFFFAOYSA-N 1 1 375.472 3.494 20 30 GGEDMO N#Cc1ccsc1C(=O)N=c1[nH]c2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000052028120 1405905079 /nfs/dbraw/zinc/90/50/79/1405905079.db2.gz MOPBHHOUVUKHFE-UHFFFAOYSA-N 1 1 380.498 3.309 20 30 GGEDMO N#Cc1ccsc1C(=O)N=c1[nH]c2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000052028120 1405905085 /nfs/dbraw/zinc/90/50/85/1405905085.db2.gz MOPBHHOUVUKHFE-UHFFFAOYSA-N 1 1 380.498 3.309 20 30 GGEDMO CC(C)N(C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000052409130 1406043643 /nfs/dbraw/zinc/04/36/43/1406043643.db2.gz UILYGYAULMQXCI-UHFFFAOYSA-N 1 1 382.552 3.246 20 30 GGEDMO CC(C)N(C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000052409130 1406043656 /nfs/dbraw/zinc/04/36/56/1406043656.db2.gz UILYGYAULMQXCI-UHFFFAOYSA-N 1 1 382.552 3.246 20 30 GGEDMO CC(C)N(C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000052409130 1406043670 /nfs/dbraw/zinc/04/36/70/1406043670.db2.gz UILYGYAULMQXCI-UHFFFAOYSA-N 1 1 382.552 3.246 20 30 GGEDMO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000052580517 1406087293 /nfs/dbraw/zinc/08/72/93/1406087293.db2.gz DJDSIXMZAZRTJE-MRXNPFEDSA-N 1 1 381.476 3.193 20 30 GGEDMO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000052580517 1406087305 /nfs/dbraw/zinc/08/73/05/1406087305.db2.gz DJDSIXMZAZRTJE-MRXNPFEDSA-N 1 1 381.476 3.193 20 30 GGEDMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000052580262 1406087486 /nfs/dbraw/zinc/08/74/86/1406087486.db2.gz SSHNTCVWDSMGHV-OAQYLSRUSA-N 1 1 393.487 3.371 20 30 GGEDMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000052580262 1406087502 /nfs/dbraw/zinc/08/75/02/1406087502.db2.gz SSHNTCVWDSMGHV-OAQYLSRUSA-N 1 1 393.487 3.371 20 30 GGEDMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000052580775 1406088107 /nfs/dbraw/zinc/08/81/07/1406088107.db2.gz PLKVUZHIPDJGON-MRXNPFEDSA-N 1 1 381.476 3.275 20 30 GGEDMO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000052580775 1406088118 /nfs/dbraw/zinc/08/81/18/1406088118.db2.gz PLKVUZHIPDJGON-MRXNPFEDSA-N 1 1 381.476 3.275 20 30 GGEDMO C[C@@H](Cc1ccsc1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000052582960 1406088382 /nfs/dbraw/zinc/08/83/82/1406088382.db2.gz OHBCLKIYPNTQII-KRWDZBQOSA-N 1 1 382.533 3.468 20 30 GGEDMO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000052580939 1406089272 /nfs/dbraw/zinc/08/92/72/1406089272.db2.gz LYDDALZWBSYYCV-MRXNPFEDSA-N 1 1 381.476 3.193 20 30 GGEDMO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000052580939 1406089279 /nfs/dbraw/zinc/08/92/79/1406089279.db2.gz LYDDALZWBSYYCV-MRXNPFEDSA-N 1 1 381.476 3.193 20 30 GGEDMO CCCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000052722683 1406140065 /nfs/dbraw/zinc/14/00/65/1406140065.db2.gz WGLUHBDMGNNOAQ-LJQANCHMSA-N 1 1 398.551 3.340 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052800986 1406174193 /nfs/dbraw/zinc/17/41/93/1406174193.db2.gz MBNKCDJYLLSXNV-INIZCTEOSA-N 1 1 393.447 3.006 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052800986 1406174211 /nfs/dbraw/zinc/17/42/11/1406174211.db2.gz MBNKCDJYLLSXNV-INIZCTEOSA-N 1 1 393.447 3.006 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052801315 1406174273 /nfs/dbraw/zinc/17/42/73/1406174273.db2.gz DYHXSHAQVJMTKM-UHFFFAOYSA-N 1 1 393.447 3.007 20 30 GGEDMO Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801381 1406174629 /nfs/dbraw/zinc/17/46/29/1406174629.db2.gz XONCLYDGBBAJTG-FQEVSTJZSA-N 1 1 390.531 3.126 20 30 GGEDMO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801381 1406174642 /nfs/dbraw/zinc/17/46/42/1406174642.db2.gz XONCLYDGBBAJTG-FQEVSTJZSA-N 1 1 390.531 3.126 20 30 GGEDMO CCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(C#N)cc1 ZINC000052825761 1406188073 /nfs/dbraw/zinc/18/80/73/1406188073.db2.gz YDKWFLJJLKBRDK-UHFFFAOYSA-N 1 1 378.432 3.268 20 30 GGEDMO CCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(C#N)cc1 ZINC000052825761 1406188089 /nfs/dbraw/zinc/18/80/89/1406188089.db2.gz YDKWFLJJLKBRDK-UHFFFAOYSA-N 1 1 378.432 3.268 20 30 GGEDMO CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C#N)cc1 ZINC000052825880 1406188129 /nfs/dbraw/zinc/18/81/29/1406188129.db2.gz XMQLOGRTRDPDER-UHFFFAOYSA-N 1 1 378.432 3.268 20 30 GGEDMO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C#N)cc1 ZINC000052825880 1406188147 /nfs/dbraw/zinc/18/81/47/1406188147.db2.gz XMQLOGRTRDPDER-UHFFFAOYSA-N 1 1 378.432 3.268 20 30 GGEDMO CCC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccc(C#N)cc1 ZINC000052825851 1406188513 /nfs/dbraw/zinc/18/85/13/1406188513.db2.gz KKASZVDONCZIEH-UHFFFAOYSA-N 1 1 378.476 3.111 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccc(C#N)cc1 ZINC000052825851 1406188527 /nfs/dbraw/zinc/18/85/27/1406188527.db2.gz KKASZVDONCZIEH-UHFFFAOYSA-N 1 1 378.476 3.111 20 30 GGEDMO CCC[N@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)Cc1ccc(C#N)cc1 ZINC000052825723 1406188767 /nfs/dbraw/zinc/18/87/67/1406188767.db2.gz HITDFDSVPXGQJW-UHFFFAOYSA-N 1 1 378.476 3.159 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)Cc1ccc(C#N)cc1 ZINC000052825723 1406188783 /nfs/dbraw/zinc/18/87/83/1406188783.db2.gz HITDFDSVPXGQJW-UHFFFAOYSA-N 1 1 378.476 3.159 20 30 GGEDMO CCC[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccc(C#N)cc1 ZINC000052825770 1406189269 /nfs/dbraw/zinc/18/92/69/1406189269.db2.gz BZFBNVYUYCHPMT-UHFFFAOYSA-N 1 1 390.487 3.301 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccc(C#N)cc1 ZINC000052825770 1406189288 /nfs/dbraw/zinc/18/92/88/1406189288.db2.gz BZFBNVYUYCHPMT-UHFFFAOYSA-N 1 1 390.487 3.301 20 30 GGEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000052830009 1406192002 /nfs/dbraw/zinc/19/20/02/1406192002.db2.gz OYRDRFNMMXBIAF-MRXNPFEDSA-N 1 1 384.867 3.336 20 30 GGEDMO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000052862785 1406202391 /nfs/dbraw/zinc/20/23/91/1406202391.db2.gz SBLMPQPMIOOLHB-AEFFLSMTSA-N 1 1 381.480 3.201 20 30 GGEDMO Cc1noc([C@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C2)n1 ZINC000052862785 1406202410 /nfs/dbraw/zinc/20/24/10/1406202410.db2.gz SBLMPQPMIOOLHB-AEFFLSMTSA-N 1 1 381.480 3.201 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)n1 ZINC000052862775 1406202509 /nfs/dbraw/zinc/20/25/09/1406202509.db2.gz BJGUZWDFOZMWMI-GOEBONIOSA-N 1 1 385.443 3.032 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)n1 ZINC000052862775 1406202524 /nfs/dbraw/zinc/20/25/24/1406202524.db2.gz BJGUZWDFOZMWMI-GOEBONIOSA-N 1 1 385.443 3.032 20 30 GGEDMO C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056769313 1407426564 /nfs/dbraw/zinc/42/65/64/1407426564.db2.gz CMBXSWXRFQGBRP-GOSISDBHSA-N 1 1 392.503 3.112 20 30 GGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000056828031 1407446589 /nfs/dbraw/zinc/44/65/89/1407446589.db2.gz IQZMITUWOQEXPY-QZTJIDSGSA-N 1 1 389.540 3.281 20 30 GGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000056831619 1407446914 /nfs/dbraw/zinc/44/69/14/1407446914.db2.gz QMJISKPOJIZTIM-HXUWFJFHSA-N 1 1 389.540 3.140 20 30 GGEDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000176322975 1428243777 /nfs/dbraw/zinc/24/37/77/1428243777.db2.gz IREIDKHKVXXSSO-KRWDZBQOSA-N 1 1 398.482 3.402 20 30 GGEDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000176322975 1428243786 /nfs/dbraw/zinc/24/37/86/1428243786.db2.gz IREIDKHKVXXSSO-KRWDZBQOSA-N 1 1 398.482 3.402 20 30 GGEDMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000176322959 1428243996 /nfs/dbraw/zinc/24/39/96/1428243996.db2.gz IREIDKHKVXXSSO-QGZVFWFLSA-N 1 1 398.482 3.402 20 30 GGEDMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000176322959 1428244003 /nfs/dbraw/zinc/24/40/03/1428244003.db2.gz IREIDKHKVXXSSO-QGZVFWFLSA-N 1 1 398.482 3.402 20 30 GGEDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000176328117 1428247294 /nfs/dbraw/zinc/24/72/94/1428247294.db2.gz ASJNCENKKIBIIW-KRWDZBQOSA-N 1 1 398.482 3.402 20 30 GGEDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000176328117 1428247302 /nfs/dbraw/zinc/24/73/02/1428247302.db2.gz ASJNCENKKIBIIW-KRWDZBQOSA-N 1 1 398.482 3.402 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000057612678 1407665711 /nfs/dbraw/zinc/66/57/11/1407665711.db2.gz BXMBAEJJMUXAQE-KDURUIRLSA-N 1 1 386.540 3.084 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000057613217 1407666688 /nfs/dbraw/zinc/66/66/88/1407666688.db2.gz VOQBEVYOYMLGNK-IBGZPJMESA-N 1 1 386.540 3.228 20 30 GGEDMO C[C@H](c1nn(CN2CCC(C#N)CC2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000057824056 1407729485 /nfs/dbraw/zinc/72/94/85/1407729485.db2.gz IHWBUCIWYCPOJK-CQSZACIVSA-N 1 1 388.516 3.358 20 30 GGEDMO C[C@@H](c1nn(CN2CCC(C#N)CC2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000057824052 1407729850 /nfs/dbraw/zinc/72/98/50/1407729850.db2.gz IHWBUCIWYCPOJK-AWEZNQCLSA-N 1 1 388.516 3.358 20 30 GGEDMO NC(CCCc1ccccc1)=[NH+]OCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000057858414 1407741050 /nfs/dbraw/zinc/74/10/50/1407741050.db2.gz JLGVKGQMXRFUGX-UHFFFAOYSA-N 1 1 383.448 3.098 20 30 GGEDMO COCC[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000058397667 1407822925 /nfs/dbraw/zinc/82/29/25/1407822925.db2.gz LFTLAODAWNLILV-UHFFFAOYSA-N 1 1 385.895 3.367 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000058453562 1407831193 /nfs/dbraw/zinc/83/11/93/1407831193.db2.gz KIRJNARXTPYYIV-SFHVURJKSA-N 1 1 383.521 3.038 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000058931424 1407900865 /nfs/dbraw/zinc/90/08/65/1407900865.db2.gz UWNDPJJRAMUUKM-KRWDZBQOSA-N 1 1 389.908 3.155 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000058931424 1407900871 /nfs/dbraw/zinc/90/08/71/1407900871.db2.gz UWNDPJJRAMUUKM-KRWDZBQOSA-N 1 1 389.908 3.155 20 30 GGEDMO CC[N@H+](CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)[C@H](C)c1ccc(C#N)cc1 ZINC000060477388 1407986179 /nfs/dbraw/zinc/98/61/79/1407986179.db2.gz 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ZINC000067679104 1409205403 /nfs/dbraw/zinc/20/54/03/1409205403.db2.gz NILZHFXRBHWLJA-UHFFFAOYSA-N 1 1 381.524 3.114 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccc(F)c1 ZINC000067715819 1409213827 /nfs/dbraw/zinc/21/38/27/1409213827.db2.gz KNJQDBSIWJHMTJ-UHFFFAOYSA-N 1 1 377.423 3.344 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccc(F)c1 ZINC000067715819 1409213836 /nfs/dbraw/zinc/21/38/36/1409213836.db2.gz KNJQDBSIWJHMTJ-UHFFFAOYSA-N 1 1 377.423 3.344 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000176632308 1428386120 /nfs/dbraw/zinc/38/61/20/1428386120.db2.gz ZWFWBMDUUWJFBO-UHFFFAOYSA-N 1 1 380.492 3.423 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc(OCC#N)cc3)cc2)C[C@H](C)O1 ZINC000067928955 1409257725 /nfs/dbraw/zinc/25/77/25/1409257725.db2.gz PRBQPPBGIOSLJQ-ROUUACIJSA-N 1 1 393.487 3.128 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC([C@H](O)c4ccccc4)CC3)C2=O)cc1 ZINC000067962459 1409264787 /nfs/dbraw/zinc/26/47/87/1409264787.db2.gz 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N#Cc1ccc(N2CC[C@@H](N3CCC[N@H+](Cc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000068967226 1409535303 /nfs/dbraw/zinc/53/53/03/1409535303.db2.gz YYPKGYBLFJFMSR-JOCHJYFZSA-N 1 1 392.478 3.011 20 30 GGEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000068967261 1409535377 /nfs/dbraw/zinc/53/53/77/1409535377.db2.gz PLRAKSUVAWXOQF-UHFFFAOYSA-N 1 1 380.467 3.234 20 30 GGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016428 1409544457 /nfs/dbraw/zinc/54/44/57/1409544457.db2.gz HKUQJPMWZUGSCW-PMACEKPBSA-N 1 1 398.551 3.418 20 30 GGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCN(C)c3ccccc3C2)cc1 ZINC000069088912 1409562152 /nfs/dbraw/zinc/56/21/52/1409562152.db2.gz AUJOJGRNCWOZIN-UHFFFAOYSA-N 1 1 392.503 3.284 20 30 GGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCN(C)c3ccccc3C2)cc1 ZINC000069088912 1409562153 /nfs/dbraw/zinc/56/21/53/1409562153.db2.gz AUJOJGRNCWOZIN-UHFFFAOYSA-N 1 1 392.503 3.284 20 30 GGEDMO CN1CCN(C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccccc2)CC1 ZINC000069170978 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378.476 3.349 20 30 GGEDMO CCN1CC[NH+](CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 ZINC000102791841 1410758066 /nfs/dbraw/zinc/75/80/66/1410758066.db2.gz KJYNXPNFPMPTIH-UHFFFAOYSA-N 1 1 392.503 3.103 20 30 GGEDMO C[N@H+](CC(=O)NCC#N)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000102823008 1410784832 /nfs/dbraw/zinc/78/48/32/1410784832.db2.gz SOCVVSZZXMTFPJ-UHFFFAOYSA-N 1 1 393.878 3.264 20 30 GGEDMO C[N@@H+](CC(=O)NCC#N)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000102823008 1410784842 /nfs/dbraw/zinc/78/48/42/1410784842.db2.gz SOCVVSZZXMTFPJ-UHFFFAOYSA-N 1 1 393.878 3.264 20 30 GGEDMO C=CCN(Cc1ccccc1)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000176891017 1428512890 /nfs/dbraw/zinc/51/28/90/1428512890.db2.gz UTRPSHOTJJGWJD-UHFFFAOYSA-N 1 1 379.508 3.460 20 30 GGEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931119 1410808970 /nfs/dbraw/zinc/80/89/70/1410808970.db2.gz OYWFFFKWQKYDEM-UHFFFAOYSA-N 1 1 398.894 3.374 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931119 1410808971 /nfs/dbraw/zinc/80/89/71/1410808971.db2.gz OYWFFFKWQKYDEM-UHFFFAOYSA-N 1 1 398.894 3.374 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000102928738 1410808995 /nfs/dbraw/zinc/80/89/95/1410808995.db2.gz SFZWGSIYJBTRFC-UHFFFAOYSA-N 1 1 396.491 3.206 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000103151719 1410832236 /nfs/dbraw/zinc/83/22/36/1410832236.db2.gz UOCMEGIUKSLHEX-PXNSSMCTSA-N 1 1 385.464 3.002 20 30 GGEDMO C[C@H](CC#N)N(C)Cn1nc([C@@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000103460826 1410859993 /nfs/dbraw/zinc/85/99/93/1410859993.db2.gz HPSBFBSIIJDQOG-ZIAGYGMSSA-N 1 1 376.505 3.356 20 30 GGEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000103474964 1410861836 /nfs/dbraw/zinc/86/18/36/1410861836.db2.gz UVZPRKSPHVBCPL-OAQYLSRUSA-N 1 1 390.487 3.253 20 30 GGEDMO Cc1nc(C[NH+]2CCC(C(=O)N(CCC#N)Cc3cccnc3)CC2)cs1 ZINC000104046626 1410882905 /nfs/dbraw/zinc/88/29/05/1410882905.db2.gz AOEYRRHYZBOUKW-UHFFFAOYSA-N 1 1 383.521 3.001 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000104058933 1410883493 /nfs/dbraw/zinc/88/34/93/1410883493.db2.gz IVAPESGVFQFHCK-NRFANRHFSA-N 1 1 385.487 3.135 20 30 GGEDMO C[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000104098640 1410884321 /nfs/dbraw/zinc/88/43/21/1410884321.db2.gz BAWHLXLTQLYNES-HXUWFJFHSA-N 1 1 376.485 3.352 20 30 GGEDMO C[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000104098640 1410884322 /nfs/dbraw/zinc/88/43/22/1410884322.db2.gz BAWHLXLTQLYNES-HXUWFJFHSA-N 1 1 376.485 3.352 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)CC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000104354454 1410893355 /nfs/dbraw/zinc/89/33/55/1410893355.db2.gz RNADCPFFBGBOJY-FQEVSTJZSA-N 1 1 399.535 3.200 20 30 GGEDMO CC(C)[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104488415 1410897638 /nfs/dbraw/zinc/89/76/38/1410897638.db2.gz XUBWYMZAMSOKOV-SVMVAKDDSA-N 1 1 399.535 3.062 20 30 GGEDMO CC(C)[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104488415 1410897642 /nfs/dbraw/zinc/89/76/42/1410897642.db2.gz XUBWYMZAMSOKOV-SVMVAKDDSA-N 1 1 399.535 3.062 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)NCCc3c(F)cccc3F)CC2)c1 ZINC000104712465 1410935676 /nfs/dbraw/zinc/93/56/76/1410935676.db2.gz JEGBNVWWDJPTNV-UHFFFAOYSA-N 1 1 399.441 3.039 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)c1 ZINC000104712382 1410935757 /nfs/dbraw/zinc/93/57/57/1410935757.db2.gz WCFNUNYKOAGMMV-INIZCTEOSA-N 1 1 395.425 3.202 20 30 GGEDMO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104712531 1410935838 /nfs/dbraw/zinc/93/58/38/1410935838.db2.gz LUBMVEMNTBKBTE-GCJKJVERSA-N 1 1 399.535 3.113 20 30 GGEDMO COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714768 1410937628 /nfs/dbraw/zinc/93/76/28/1410937628.db2.gz BQCTUGMRUZAFPU-KRWDZBQOSA-N 1 1 393.487 3.287 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c1 ZINC000104714610 1410938581 /nfs/dbraw/zinc/93/85/81/1410938581.db2.gz IJZFUVSBMGRYLV-JOCHJYFZSA-N 1 1 375.472 3.421 20 30 GGEDMO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104714188 1410938613 /nfs/dbraw/zinc/93/86/13/1410938613.db2.gz VLPOCCVENOHYJA-SFHVURJKSA-N 1 1 377.488 3.415 20 30 GGEDMO N#Cc1cccc(OC2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000104715463 1410940668 /nfs/dbraw/zinc/94/06/68/1410940668.db2.gz AGCKITUOWMLQBY-UHFFFAOYSA-N 1 1 395.415 3.376 20 30 GGEDMO CN(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1(C#N)CCCCC1 ZINC000104715764 1410941416 /nfs/dbraw/zinc/94/14/16/1410941416.db2.gz VUKGXWMZWPAVNF-UHFFFAOYSA-N 1 1 380.492 3.086 20 30 GGEDMO C=CCc1cc(CNC(=O)NCC[N@@H+](C)C2CCCC2)cc(OC)c1OC ZINC000104806331 1410967571 /nfs/dbraw/zinc/96/75/71/1410967571.db2.gz RWDBSTUJLBXCSJ-UHFFFAOYSA-N 1 1 375.513 3.106 20 30 GGEDMO CC1(C)CN(C[C@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000104968401 1411005092 /nfs/dbraw/zinc/00/50/92/1411005092.db2.gz XTDWPKBLWHCZOK-QFIPXVFZSA-N 1 1 393.531 3.089 20 30 GGEDMO CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000104968401 1411005099 /nfs/dbraw/zinc/00/50/99/1411005099.db2.gz XTDWPKBLWHCZOK-QFIPXVFZSA-N 1 1 393.531 3.089 20 30 GGEDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000104968401 1411005108 /nfs/dbraw/zinc/00/51/08/1411005108.db2.gz XTDWPKBLWHCZOK-QFIPXVFZSA-N 1 1 393.531 3.089 20 30 GGEDMO C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963355 1411005556 /nfs/dbraw/zinc/00/55/56/1411005556.db2.gz PSBXKXNDHYFMAJ-INIZCTEOSA-N 1 1 383.517 3.210 20 30 GGEDMO C[N@@H+](CCN1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1)Cc1ccccc1 ZINC000104985800 1411008437 /nfs/dbraw/zinc/00/84/37/1411008437.db2.gz QYKGJZRIPRDCGO-UHFFFAOYSA-N 1 1 391.519 3.034 20 30 GGEDMO COCC[NH+]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000105039216 1411019229 /nfs/dbraw/zinc/01/92/29/1411019229.db2.gz SOUGNMFGWMTOHA-UHFFFAOYSA-N 1 1 380.448 3.146 20 30 GGEDMO C=CCN(CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)Cc1cccs1 ZINC000105231125 1411045257 /nfs/dbraw/zinc/04/52/57/1411045257.db2.gz IVAHWZVWRMCOAR-UHFFFAOYSA-N 1 1 383.561 3.389 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000105294898 1411051098 /nfs/dbraw/zinc/05/10/98/1411051098.db2.gz FCSVVMNSVADQND-UHFFFAOYSA-N 1 1 384.524 3.497 20 30 GGEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000176971949 1428535396 /nfs/dbraw/zinc/53/53/96/1428535396.db2.gz FNQMPNUJWMJLRW-IYBDPMFKSA-N 1 1 388.487 3.441 20 30 GGEDMO C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)CN1CCN(C)CC1 ZINC000105439881 1411066368 /nfs/dbraw/zinc/06/63/68/1411066368.db2.gz MCVJEXKTKZIJKB-FQEVSTJZSA-N 1 1 392.547 3.110 20 30 GGEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000176984272 1428540824 /nfs/dbraw/zinc/54/08/24/1428540824.db2.gz XWFNLGVCYKLLLX-HNNXBMFYSA-N 1 1 377.416 3.458 20 30 GGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000176984272 1428540829 /nfs/dbraw/zinc/54/08/29/1428540829.db2.gz XWFNLGVCYKLLLX-HNNXBMFYSA-N 1 1 377.416 3.458 20 30 GGEDMO COc1cc(C)c(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000176990138 1428543250 /nfs/dbraw/zinc/54/32/50/1428543250.db2.gz CKQVDTJHNJLCLL-MRXNPFEDSA-N 1 1 385.489 3.183 20 30 GGEDMO COc1cc(C)c(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000176990138 1428543255 /nfs/dbraw/zinc/54/32/55/1428543255.db2.gz CKQVDTJHNJLCLL-MRXNPFEDSA-N 1 1 385.489 3.183 20 30 GGEDMO COc1cc(C)c(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000176990155 1428543295 /nfs/dbraw/zinc/54/32/95/1428543295.db2.gz CKQVDTJHNJLCLL-INIZCTEOSA-N 1 1 385.489 3.183 20 30 GGEDMO COc1cc(C)c(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000176990155 1428543299 /nfs/dbraw/zinc/54/32/99/1428543299.db2.gz CKQVDTJHNJLCLL-INIZCTEOSA-N 1 1 385.489 3.183 20 30 GGEDMO C=C(C)C[NH+]1CCC(NCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000106245721 1411184459 /nfs/dbraw/zinc/18/44/59/1411184459.db2.gz UHPVGILWCQWTIF-UHFFFAOYSA-N 1 1 396.535 3.379 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000176996593 1428546341 /nfs/dbraw/zinc/54/63/41/1428546341.db2.gz KGRKXMPVBXGUSH-UHFFFAOYSA-N 1 1 391.431 3.316 20 30 GGEDMO N#Cc1ccsc1N1CC[C@@H](N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1=O ZINC000176997017 1428547007 /nfs/dbraw/zinc/54/70/07/1428547007.db2.gz HBEVIEKIHLMKAJ-LJQANCHMSA-N 1 1 398.507 3.072 20 30 GGEDMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000106401606 1411210771 /nfs/dbraw/zinc/21/07/71/1411210771.db2.gz CZJJSMDVHAWAHL-UHFFFAOYSA-N 1 1 395.528 3.238 20 30 GGEDMO C=CCc1cc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc(OC)c1OC ZINC000106551043 1411243430 /nfs/dbraw/zinc/24/34/30/1411243430.db2.gz BYAUDZDJHOWGPQ-SFHVURJKSA-N 1 1 387.524 3.248 20 30 GGEDMO CO[C@](C)(C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000106733908 1411289274 /nfs/dbraw/zinc/28/92/74/1411289274.db2.gz OLUCAYXIZXWZER-QHCPKHFHSA-N 1 1 377.488 3.154 20 30 GGEDMO CO[C@](C)(C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000106733908 1411289280 /nfs/dbraw/zinc/28/92/80/1411289280.db2.gz OLUCAYXIZXWZER-QHCPKHFHSA-N 1 1 377.488 3.154 20 30 GGEDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106865582 1411311546 /nfs/dbraw/zinc/31/15/46/1411311546.db2.gz ZXMZRIGRAGWFTJ-PBHICJAKSA-N 1 1 375.538 3.453 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H](C)O)c1C#N ZINC000106865901 1411311820 /nfs/dbraw/zinc/31/18/20/1411311820.db2.gz DOMMRPQQCKZDGI-WIYYLYMNSA-N 1 1 394.519 3.199 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)c1C#N ZINC000106865901 1411311825 /nfs/dbraw/zinc/31/18/25/1411311825.db2.gz DOMMRPQQCKZDGI-WIYYLYMNSA-N 1 1 394.519 3.199 20 30 GGEDMO C[C@H](O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000106865584 1411312069 /nfs/dbraw/zinc/31/20/69/1411312069.db2.gz ZXMZRIGRAGWFTJ-WMLDXEAASA-N 1 1 375.538 3.453 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2C#N)C(C)C)cc1 ZINC000107307581 1411358921 /nfs/dbraw/zinc/35/89/21/1411358921.db2.gz QSEFBXKLKVVYCL-NRFANRHFSA-N 1 1 381.476 3.167 20 30 GGEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000107591197 1411389783 /nfs/dbraw/zinc/38/97/83/1411389783.db2.gz WZEJILASAYGHSI-VAWYXSNFSA-N 1 1 388.515 3.025 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCOC2)c1C#N ZINC000107690121 1411398442 /nfs/dbraw/zinc/39/84/42/1411398442.db2.gz VSODESFPYIUTOY-KRWDZBQOSA-N 1 1 398.482 3.402 20 30 GGEDMO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000108304521 1411469296 /nfs/dbraw/zinc/46/92/96/1411469296.db2.gz SGSYRCKZXPZVKE-NRFANRHFSA-N 1 1 375.472 3.351 20 30 GGEDMO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000108304518 1411469928 /nfs/dbraw/zinc/46/99/28/1411469928.db2.gz SGSYRCKZXPZVKE-OAQYLSRUSA-N 1 1 375.472 3.351 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108375360 1411483344 /nfs/dbraw/zinc/48/33/44/1411483344.db2.gz UAHFEHDPHFALLS-NRFANRHFSA-N 1 1 385.487 3.135 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108388282 1411486550 /nfs/dbraw/zinc/48/65/50/1411486550.db2.gz BURPVNVEZJXOST-VFNWGFHPSA-N 1 1 381.451 3.470 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108388300 1411486964 /nfs/dbraw/zinc/48/69/64/1411486964.db2.gz KRBCTCXSRIVVPE-JXFKEZNVSA-N 1 1 387.499 3.302 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108388303 1411487190 /nfs/dbraw/zinc/48/71/90/1411487190.db2.gz KRBCTCXSRIVVPE-UZLBHIALSA-N 1 1 387.499 3.302 20 30 GGEDMO CCCO[C@@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000108395289 1411490782 /nfs/dbraw/zinc/49/07/82/1411490782.db2.gz DBNTUMPFEAMNAC-LJQANCHMSA-N 1 1 396.453 3.454 20 30 GGEDMO C[N@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000108399935 1411491254 /nfs/dbraw/zinc/49/12/54/1411491254.db2.gz PMXPYHPETBTNIN-UHFFFAOYSA-N 1 1 397.544 3.232 20 30 GGEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000108506426 1411523804 /nfs/dbraw/zinc/52/38/04/1411523804.db2.gz IQZXCLDYOMKFDK-KRWDZBQOSA-N 1 1 391.475 3.274 20 30 GGEDMO C#CCOc1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000108521165 1411528604 /nfs/dbraw/zinc/52/86/04/1411528604.db2.gz YVHKZAUDGCZDNE-SFHVURJKSA-N 1 1 393.487 3.241 20 30 GGEDMO C#CCOc1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000108521165 1411528618 /nfs/dbraw/zinc/52/86/18/1411528618.db2.gz YVHKZAUDGCZDNE-SFHVURJKSA-N 1 1 393.487 3.241 20 30 GGEDMO C#CCOc1ccc(F)cc1NC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000177069094 1428575995 /nfs/dbraw/zinc/57/59/95/1428575995.db2.gz SYQNJSUTYFPXOH-UHFFFAOYSA-N 1 1 397.454 3.035 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[N@H+]1C1CC1 ZINC000177076291 1428579522 /nfs/dbraw/zinc/57/95/22/1428579522.db2.gz BSIHSUPWMLTYFQ-OXJNMPFZSA-N 1 1 375.472 3.492 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[N@H+]1C1CC1 ZINC000177076258 1428579791 /nfs/dbraw/zinc/57/97/91/1428579791.db2.gz BSIHSUPWMLTYFQ-JXFKEZNVSA-N 1 1 375.472 3.492 20 30 GGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000108889605 1411633386 /nfs/dbraw/zinc/63/33/86/1411633386.db2.gz FCDBYRHTJHZYJY-OAQYLSRUSA-N 1 1 397.544 3.410 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(n3cccn3)CC2)ccc1Cl ZINC000109006645 1411659762 /nfs/dbraw/zinc/65/97/62/1411659762.db2.gz XUVPVHINEIINIV-UHFFFAOYSA-N 1 1 385.899 3.429 20 30 GGEDMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000109012154 1411661270 /nfs/dbraw/zinc/66/12/70/1411661270.db2.gz NTEIUKUPQOHSNO-UHFFFAOYSA-N 1 1 389.459 3.213 20 30 GGEDMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000109012154 1411661278 /nfs/dbraw/zinc/66/12/78/1411661278.db2.gz NTEIUKUPQOHSNO-UHFFFAOYSA-N 1 1 389.459 3.213 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000109028538 1411665800 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CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000114186946 1412388999 /nfs/dbraw/zinc/38/89/99/1412388999.db2.gz RIEJWDYTXDBCIR-DLBZAZTESA-N 1 1 375.538 3.453 20 30 GGEDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000114186942 1412389082 /nfs/dbraw/zinc/38/90/82/1412389082.db2.gz RIEJWDYTXDBCIR-IRXDYDNUSA-N 1 1 375.538 3.453 20 30 GGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000114186942 1412389089 /nfs/dbraw/zinc/38/90/89/1412389089.db2.gz RIEJWDYTXDBCIR-IRXDYDNUSA-N 1 1 375.538 3.453 20 30 GGEDMO N#CCCN(C(=O)C[N@H+](CCO)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000114193299 1412391943 /nfs/dbraw/zinc/39/19/43/1412391943.db2.gz ZITXIBPWKUNYCW-JOCHJYFZSA-N 1 1 377.488 3.305 20 30 GGEDMO COC(=O)CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000114197385 1412392721 /nfs/dbraw/zinc/39/27/21/1412392721.db2.gz NPZOLMXQDHBOCS-UHFFFAOYSA-N 1 1 377.510 3.101 20 30 GGEDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000114368448 1412420382 /nfs/dbraw/zinc/42/03/82/1412420382.db2.gz QAVXVXXUWQLACP-MRXNPFEDSA-N 1 1 397.450 3.330 20 30 GGEDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000114371316 1412420420 /nfs/dbraw/zinc/42/04/20/1412420420.db2.gz FCBUZKUNTJNLMB-QGZVFWFLSA-N 1 1 379.460 3.191 20 30 GGEDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000114371312 1412420857 /nfs/dbraw/zinc/42/08/57/1412420857.db2.gz FCBUZKUNTJNLMB-KRWDZBQOSA-N 1 1 379.460 3.191 20 30 GGEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000114466656 1412438971 /nfs/dbraw/zinc/43/89/71/1412438971.db2.gz MKASIRIBRLSUEI-CTNGQTDRSA-N 1 1 398.466 3.205 20 30 GGEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000114466658 1412439086 /nfs/dbraw/zinc/43/90/86/1412439086.db2.gz MKASIRIBRLSUEI-TZIWHRDSSA-N 1 1 398.466 3.205 20 30 GGEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472640 1412440783 /nfs/dbraw/zinc/44/07/83/1412440783.db2.gz MWRCERNUNLRFDK-DLBZAZTESA-N 1 1 397.523 3.197 20 30 GGEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000114500885 1412446547 /nfs/dbraw/zinc/44/65/47/1412446547.db2.gz LSKHDEQYMPMVDL-KGLIPLIRSA-N 1 1 377.460 3.225 20 30 GGEDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000114500883 1412446695 /nfs/dbraw/zinc/44/66/95/1412446695.db2.gz LSKHDEQYMPMVDL-KBPBESRZSA-N 1 1 377.460 3.225 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000114726286 1412512896 /nfs/dbraw/zinc/51/28/96/1412512896.db2.gz WJNDMTLUOGUUAQ-HXUWFJFHSA-N 1 1 394.519 3.464 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C[C@H]1CCCO1 ZINC000114726286 1412512901 /nfs/dbraw/zinc/51/29/01/1412512901.db2.gz WJNDMTLUOGUUAQ-HXUWFJFHSA-N 1 1 394.519 3.464 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000114741062 1412515321 /nfs/dbraw/zinc/51/53/21/1412515321.db2.gz QBTZKXMGHKTHOY-PKOBYXMFSA-N 1 1 375.538 3.142 20 30 GGEDMO C[C@@H](N[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000114747415 1412516941 /nfs/dbraw/zinc/51/69/41/1412516941.db2.gz PLQDIPJWUPWUNL-MOPGFXCFSA-N 1 1 390.531 3.378 20 30 GGEDMO C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000114747419 1412517260 /nfs/dbraw/zinc/51/72/60/1412517260.db2.gz PLQDIPJWUPWUNL-RTBURBONSA-N 1 1 390.531 3.378 20 30 GGEDMO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000114748636 1412518172 /nfs/dbraw/zinc/51/81/72/1412518172.db2.gz CUGKPCKBDNTHRP-JOCHJYFZSA-N 1 1 376.504 3.295 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177265252 1428661439 /nfs/dbraw/zinc/66/14/39/1428661439.db2.gz VPHJSCWDHUSLHV-CZUORRHYSA-N 1 1 390.553 3.192 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177265252 1428661457 /nfs/dbraw/zinc/66/14/57/1428661457.db2.gz VPHJSCWDHUSLHV-CZUORRHYSA-N 1 1 390.553 3.192 20 30 GGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000115511652 1412697165 /nfs/dbraw/zinc/69/71/65/1412697165.db2.gz AJXDNRMCFHWCLE-ZDWFVDTJSA-N 1 1 388.471 3.161 20 30 GGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000115512114 1412697921 /nfs/dbraw/zinc/69/79/21/1412697921.db2.gz NGQARUJMFKCSLA-DYESRHJHSA-N 1 1 388.471 3.158 20 30 GGEDMO C[N@@H+](CCCO)C1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000115519402 1412700577 /nfs/dbraw/zinc/70/05/77/1412700577.db2.gz YYDIEANCNJSCCN-UHFFFAOYSA-N 1 1 376.863 3.182 20 30 GGEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115543514 1412703634 /nfs/dbraw/zinc/70/36/34/1412703634.db2.gz QPBYDPKREXVUNL-NRFANRHFSA-N 1 1 391.450 3.178 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115569832 1412715169 /nfs/dbraw/zinc/71/51/69/1412715169.db2.gz WTTOJKDKHGYABW-FQEVSTJZSA-N 1 1 376.460 3.014 20 30 GGEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115597060 1412724583 /nfs/dbraw/zinc/72/45/83/1412724583.db2.gz DLPUEEGCPQOZAB-VGSWGCGISA-N 1 1 376.504 3.106 20 30 GGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597014 1412725122 /nfs/dbraw/zinc/72/51/22/1412725122.db2.gz PHUFCNAWAAWNAL-VGSWGCGISA-N 1 1 376.504 3.106 20 30 GGEDMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000115597635 1412725921 /nfs/dbraw/zinc/72/59/21/1412725921.db2.gz ZZTZMVAJOBWSPL-ZHRRBRCNSA-N 1 1 386.455 3.409 20 30 GGEDMO N#Cc1ccc([C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C(N)=O)cc1 ZINC000115598407 1412727324 /nfs/dbraw/zinc/72/73/24/1412727324.db2.gz PSAMGFXNEAFIIB-SFHVURJKSA-N 1 1 399.376 3.079 20 30 GGEDMO CCOC(=O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCC1 ZINC000177298172 1428676934 /nfs/dbraw/zinc/67/69/34/1428676934.db2.gz NYEJRUSIQDXZMF-UHFFFAOYSA-N 1 1 389.521 3.245 20 30 GGEDMO COc1ccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccc(F)cc2)cc1 ZINC000115886688 1412810126 /nfs/dbraw/zinc/81/01/26/1412810126.db2.gz BIMKDLQNHLQKOC-FCHUYYIVSA-N 1 1 381.451 3.322 20 30 GGEDMO CC(C)(C)OC(=O)NC1CC[NH+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000116073965 1412828615 /nfs/dbraw/zinc/82/86/15/1412828615.db2.gz KFCOLRCWEHAVNM-UHFFFAOYSA-N 1 1 381.480 3.368 20 30 GGEDMO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000116713944 1412902638 /nfs/dbraw/zinc/90/26/38/1412902638.db2.gz NHTLOZCBUZLCPK-UHFFFAOYSA-N 1 1 399.878 3.456 20 30 GGEDMO CCNC(=O)C[N@H+](CC)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116877069 1412947060 /nfs/dbraw/zinc/94/70/60/1412947060.db2.gz KKHBNILCVUKBAT-UHFFFAOYSA-N 1 1 381.476 3.104 20 30 GGEDMO CCNC(=O)C[N@@H+](CC)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116877069 1412947067 /nfs/dbraw/zinc/94/70/67/1412947067.db2.gz KKHBNILCVUKBAT-UHFFFAOYSA-N 1 1 381.476 3.104 20 30 GGEDMO COc1cc(C[N@@H+](C)[C@H]2CCCCNC2=O)ccc1OCc1cccc(C#N)c1 ZINC000116878388 1412947306 /nfs/dbraw/zinc/94/73/06/1412947306.db2.gz HUQLBGPPJGIVCL-FQEVSTJZSA-N 1 1 393.487 3.246 20 30 GGEDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116879737 1412947644 /nfs/dbraw/zinc/94/76/44/1412947644.db2.gz HGMZZYUPNYUGOZ-MRXNPFEDSA-N 1 1 382.460 3.387 20 30 GGEDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000116879352 1412947757 /nfs/dbraw/zinc/94/77/57/1412947757.db2.gz BARTXTCPZJSICE-HXUWFJFHSA-N 1 1 393.487 3.104 20 30 GGEDMO C=CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1cccc(C#N)c1 ZINC000117336950 1413027776 /nfs/dbraw/zinc/02/77/76/1413027776.db2.gz VATAAWXNYBNRTC-UHFFFAOYSA-N 1 1 392.415 3.453 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117350810 1413028810 /nfs/dbraw/zinc/02/88/10/1413028810.db2.gz ZMCGNSONOFDSIC-LBPRGKRZSA-N 1 1 382.304 3.115 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117350810 1413028821 /nfs/dbraw/zinc/02/88/21/1413028821.db2.gz ZMCGNSONOFDSIC-LBPRGKRZSA-N 1 1 382.304 3.115 20 30 GGEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117432520 1413035355 /nfs/dbraw/zinc/03/53/55/1413035355.db2.gz AJHUYKPLKGHIQZ-CYBMUJFWSA-N 1 1 396.331 3.309 20 30 GGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117432520 1413035364 /nfs/dbraw/zinc/03/53/64/1413035364.db2.gz AJHUYKPLKGHIQZ-CYBMUJFWSA-N 1 1 396.331 3.309 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117432523 1413036002 /nfs/dbraw/zinc/03/60/02/1413036002.db2.gz AJHUYKPLKGHIQZ-ZDUSSCGKSA-N 1 1 396.331 3.309 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117432523 1413036011 /nfs/dbraw/zinc/03/60/11/1413036011.db2.gz AJHUYKPLKGHIQZ-ZDUSSCGKSA-N 1 1 396.331 3.309 20 30 GGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000118093117 1413107855 /nfs/dbraw/zinc/10/78/55/1413107855.db2.gz OPHNEIMCSPVURV-UHFFFAOYSA-N 1 1 390.915 3.121 20 30 GGEDMO Cc1cccc(NC(=O)CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000118391160 1413158266 /nfs/dbraw/zinc/15/82/66/1413158266.db2.gz YUBBNHMGLCSPSO-IBGZPJMESA-N 1 1 376.504 3.492 20 30 GGEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000118802203 1413224398 /nfs/dbraw/zinc/22/43/98/1413224398.db2.gz BXWZAUCKOJNVBD-CYBMUJFWSA-N 1 1 384.402 3.305 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](CCCCO)C2CC2)c1C#N ZINC000118844635 1413243865 /nfs/dbraw/zinc/24/38/65/1413243865.db2.gz VYUMMVGBAQUKLJ-UHFFFAOYSA-N 1 1 398.482 3.280 20 30 GGEDMO CC[C@H](C)[N@H+](CCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849755 1413244849 /nfs/dbraw/zinc/24/48/49/1413244849.db2.gz AWSKDKVUJAQAJZ-INIZCTEOSA-N 1 1 376.460 3.474 20 30 GGEDMO CC[C@H](C)[N@@H+](CCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849755 1413244858 /nfs/dbraw/zinc/24/48/58/1413244858.db2.gz AWSKDKVUJAQAJZ-INIZCTEOSA-N 1 1 376.460 3.474 20 30 GGEDMO CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000118855180 1413247969 /nfs/dbraw/zinc/24/79/69/1413247969.db2.gz KEESOTHCZOUUBB-UNMCSNQZSA-N 1 1 386.467 3.129 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000118949786 1413270248 /nfs/dbraw/zinc/27/02/48/1413270248.db2.gz QQVIKMAEIDGDEH-HRAATJIYSA-N 1 1 375.488 3.250 20 30 GGEDMO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000119208237 1413375453 /nfs/dbraw/zinc/37/54/53/1413375453.db2.gz ANUFFIYLGQTGEF-KRWDZBQOSA-N 1 1 383.467 3.443 20 30 GGEDMO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(F)c(C#N)c1 ZINC000119331634 1413415172 /nfs/dbraw/zinc/41/51/72/1413415172.db2.gz RIGHKFAWRGDMSZ-UHFFFAOYSA-N 1 1 376.453 3.002 20 30 GGEDMO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(F)c(C#N)c1 ZINC000119331634 1413415174 /nfs/dbraw/zinc/41/51/74/1413415174.db2.gz RIGHKFAWRGDMSZ-UHFFFAOYSA-N 1 1 376.453 3.002 20 30 GGEDMO CC(=O)Nc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000119641934 1413512890 /nfs/dbraw/zinc/51/28/90/1413512890.db2.gz OCKGDXBVTHXSOG-UHFFFAOYSA-N 1 1 391.431 3.087 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000119772539 1413563743 /nfs/dbraw/zinc/56/37/43/1413563743.db2.gz CLKLTOBITYUOJS-UHFFFAOYSA-N 1 1 382.895 3.358 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1C ZINC000177446465 1428740555 /nfs/dbraw/zinc/74/05/55/1428740555.db2.gz UONWOWJIQLNBOY-JOCHJYFZSA-N 1 1 399.535 3.210 20 30 GGEDMO C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CCC(C#N)CC1)C1CCCCC1 ZINC000177449125 1428741602 /nfs/dbraw/zinc/74/16/02/1428741602.db2.gz VICWYQJVGVXGDK-UHFFFAOYSA-N 1 1 382.508 3.152 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000177448418 1428741630 /nfs/dbraw/zinc/74/16/30/1428741630.db2.gz FNOLSKBEBRGKFP-QFIPXVFZSA-N 1 1 399.535 3.210 20 30 GGEDMO C[C@H]1C[C@H](N(C)C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000119967072 1413635067 /nfs/dbraw/zinc/63/50/67/1413635067.db2.gz PBEZRUSPGVMYIZ-GHTZIAJQSA-N 1 1 390.483 3.278 20 30 GGEDMO CC1CCN(S(=O)(=O)Cc2ccccc2C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000119985934 1413643213 /nfs/dbraw/zinc/64/32/13/1413643213.db2.gz LNBFUSSJTPKTLM-UHFFFAOYSA-N 1 1 387.505 3.003 20 30 GGEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000120040217 1413664570 /nfs/dbraw/zinc/66/45/70/1413664570.db2.gz YVJFMIRPNANPTR-UHFFFAOYSA-N 1 1 379.489 3.214 20 30 GGEDMO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2Cl)CC1 ZINC000120062471 1413672110 /nfs/dbraw/zinc/67/21/10/1413672110.db2.gz VZFFGCOABFKMNO-UHFFFAOYSA-N 1 1 398.894 3.175 20 30 GGEDMO C[N@@H+](CCOc1cccc(CNC(=O)c2cc(C#N)cs2)c1)C1CCOCC1 ZINC000177461324 1428746041 /nfs/dbraw/zinc/74/60/41/1428746041.db2.gz DACBYWIHPZBEPN-UHFFFAOYSA-N 1 1 399.516 3.039 20 30 GGEDMO C#CCCOc1ccc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000120104692 1413689520 /nfs/dbraw/zinc/68/95/20/1413689520.db2.gz IIQXZDLRIYDTOI-JOCHJYFZSA-N 1 1 377.488 3.151 20 30 GGEDMO C#CCCOc1ccc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000120104831 1413689554 /nfs/dbraw/zinc/68/95/54/1413689554.db2.gz IIQXZDLRIYDTOI-QFIPXVFZSA-N 1 1 377.488 3.151 20 30 GGEDMO Cc1noc(C)c1[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000120113077 1413692515 /nfs/dbraw/zinc/69/25/15/1413692515.db2.gz MRYLCWCCPWKUFU-MRXNPFEDSA-N 1 1 395.507 3.184 20 30 GGEDMO N#CCCCOc1cccc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c1 ZINC000120123957 1413696928 /nfs/dbraw/zinc/69/69/28/1413696928.db2.gz OXYWSYDSRDPBHF-QFIPXVFZSA-N 1 1 392.503 3.431 20 30 GGEDMO C=CCNC(=O)Nc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C)cc1 ZINC000120231514 1413743300 /nfs/dbraw/zinc/74/33/00/1413743300.db2.gz XUFFWQZWXCXQFC-UHFFFAOYSA-N 1 1 376.420 3.136 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(F)c(C#N)c2)C(C)C)cc1 ZINC000120415584 1413812707 /nfs/dbraw/zinc/81/27/07/1413812707.db2.gz RYUUFZNFDUPVCI-HXUWFJFHSA-N 1 1 399.466 3.306 20 30 GGEDMO C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000120419459 1413813468 /nfs/dbraw/zinc/81/34/68/1413813468.db2.gz LLODGXCJIIOPQN-LJQANCHMSA-N 1 1 389.459 3.338 20 30 GGEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000120572065 1413845942 /nfs/dbraw/zinc/84/59/42/1413845942.db2.gz QYGJXLPMSWCWFI-ACAXCVFMSA-N 1 1 384.524 3.230 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1C#N ZINC000120704012 1413879498 /nfs/dbraw/zinc/87/94/98/1413879498.db2.gz SHQMBBFQJBLETC-IAGOWNOFSA-N 1 1 398.482 3.136 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1C#N ZINC000120704012 1413879499 /nfs/dbraw/zinc/87/94/99/1413879499.db2.gz SHQMBBFQJBLETC-IAGOWNOFSA-N 1 1 398.482 3.136 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(OCC#N)c1 ZINC000120706825 1413880390 /nfs/dbraw/zinc/88/03/90/1413880390.db2.gz OSSHUTDXSOORPM-OAQYLSRUSA-N 1 1 377.488 3.112 20 30 GGEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000120740810 1413889527 /nfs/dbraw/zinc/88/95/27/1413889527.db2.gz WONIXRJAQOEOKE-UHFFFAOYSA-N 1 1 394.494 3.383 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1 ZINC000120808559 1413909655 /nfs/dbraw/zinc/90/96/55/1413909655.db2.gz VISUTMFAMSACRM-GCJKJVERSA-N 1 1 377.488 3.158 20 30 GGEDMO CC(C)OCCN1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000177490149 1428765674 /nfs/dbraw/zinc/76/56/74/1428765674.db2.gz XUEMLKMMIRBZIW-OAHLLOKOSA-N 1 1 392.931 3.018 20 30 GGEDMO COc1cccc(C2CC(=O)C(=CNC[C@@H](c3ccccc3)[NH+](C)C)C(=O)C2)c1 ZINC000121018153 1413978534 /nfs/dbraw/zinc/97/85/34/1413978534.db2.gz PUYIUULCJPAXNB-BPARTEKVSA-N 1 1 392.499 3.487 20 30 GGEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000121031303 1413982746 /nfs/dbraw/zinc/98/27/46/1413982746.db2.gz ODKYHTKDOKCHDN-HXUWFJFHSA-N 1 1 392.455 3.493 20 30 GGEDMO C#CCCOc1ccc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1 ZINC000121145524 1414024147 /nfs/dbraw/zinc/02/41/47/1414024147.db2.gz FRCWYODCNJFVJQ-MRXNPFEDSA-N 1 1 380.452 3.134 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2c(F)cc(C#N)cc2F)C[C@@H](C)O1 ZINC000121151274 1414025777 /nfs/dbraw/zinc/02/57/77/1414025777.db2.gz MTVTWQQIUHSYKD-HUUCEWRRSA-N 1 1 399.441 3.376 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000121249706 1414058920 /nfs/dbraw/zinc/05/89/20/1414058920.db2.gz PNRFUJIHXVYEAO-QGZVFWFLSA-N 1 1 393.487 3.357 20 30 GGEDMO CC(C)C[N@H+](CC(=O)Nc1sccc1C#N)C[C@@H](O)c1ccc(F)cc1 ZINC000121284760 1414071514 /nfs/dbraw/zinc/07/15/14/1414071514.db2.gz WOOSCFMSHZRPBY-QGZVFWFLSA-N 1 1 375.469 3.389 20 30 GGEDMO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121424537 1414116941 /nfs/dbraw/zinc/11/69/41/1414116941.db2.gz ZORFJUSHYMLPBR-UHFFFAOYSA-N 1 1 397.914 3.135 20 30 GGEDMO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121424537 1414116949 /nfs/dbraw/zinc/11/69/49/1414116949.db2.gz ZORFJUSHYMLPBR-UHFFFAOYSA-N 1 1 397.914 3.135 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121431218 1414119822 /nfs/dbraw/zinc/11/98/22/1414119822.db2.gz FLFOHBDAVSXFQV-SNVBAGLBSA-N 1 1 395.294 3.062 20 30 GGEDMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121458461 1414133188 /nfs/dbraw/zinc/13/31/88/1414133188.db2.gz GPLVRRIRXSDBFQ-NSHDSACASA-N 1 1 385.859 3.193 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000121498444 1414151707 /nfs/dbraw/zinc/15/17/07/1414151707.db2.gz GNRDRRUHDSZTLZ-HXUWFJFHSA-N 1 1 388.475 3.108 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@H](O)c1ccc(C#N)cc1 ZINC000121602400 1414195719 /nfs/dbraw/zinc/19/57/19/1414195719.db2.gz SWQBRGAIIFNYJI-KRWDZBQOSA-N 1 1 391.393 3.360 20 30 GGEDMO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@H](O)c1ccc(C#N)cc1 ZINC000121602400 1414195728 /nfs/dbraw/zinc/19/57/28/1414195728.db2.gz SWQBRGAIIFNYJI-KRWDZBQOSA-N 1 1 391.393 3.360 20 30 GGEDMO C[C@@H](c1cn(-c2ccccc2)nn1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000121621386 1414203335 /nfs/dbraw/zinc/20/33/35/1414203335.db2.gz FCHNPVMCVXCPJU-IBGZPJMESA-N 1 1 386.503 3.408 20 30 GGEDMO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000121625288 1414204621 /nfs/dbraw/zinc/20/46/21/1414204621.db2.gz BRVGUBWOCGKNSP-HSZRJFAPSA-N 1 1 393.531 3.089 20 30 GGEDMO CN(C[C@@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121625288 1414204628 /nfs/dbraw/zinc/20/46/28/1414204628.db2.gz BRVGUBWOCGKNSP-HSZRJFAPSA-N 1 1 393.531 3.089 20 30 GGEDMO CCC[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@H+]1CCOC ZINC000121696463 1414226800 /nfs/dbraw/zinc/22/68/00/1414226800.db2.gz CVMBVHQWMHSWGA-IBGZPJMESA-N 1 1 396.535 3.170 20 30 GGEDMO COc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000121736519 1414241061 /nfs/dbraw/zinc/24/10/61/1414241061.db2.gz JETIQJOLLGDVQM-UHFFFAOYSA-N 1 1 396.466 3.123 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000121799450 1414261166 /nfs/dbraw/zinc/26/11/66/1414261166.db2.gz DJRXZBOGJDXOPS-INIZCTEOSA-N 1 1 376.460 3.458 20 30 GGEDMO N#CCCCOc1cccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1 ZINC000121890744 1414292941 /nfs/dbraw/zinc/29/29/41/1414292941.db2.gz PUSKITGWXONUHF-UHFFFAOYSA-N 1 1 389.503 3.335 20 30 GGEDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000121899211 1414297888 /nfs/dbraw/zinc/29/78/88/1414297888.db2.gz HEMRZHLPWLYSHV-UHFFFAOYSA-N 1 1 378.398 3.294 20 30 GGEDMO N#Cc1ccc(N2CC[C@H](N3CCC(CCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000122115089 1414365945 /nfs/dbraw/zinc/36/59/45/1414365945.db2.gz AXJKRFMMMYXJHF-QFIPXVFZSA-N 1 1 380.536 3.252 20 30 GGEDMO CC[C@H](NC(=O)c1cccc(CC#N)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177608473 1428809747 /nfs/dbraw/zinc/80/97/47/1428809747.db2.gz OUIKIZUEAGEUHB-VXKWHMMOSA-N 1 1 377.488 3.162 20 30 GGEDMO CC[C@H](NC(=O)c1cccc(CC#N)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177608473 1428809748 /nfs/dbraw/zinc/80/97/48/1428809748.db2.gz OUIKIZUEAGEUHB-VXKWHMMOSA-N 1 1 377.488 3.162 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000122500016 1414483019 /nfs/dbraw/zinc/48/30/19/1414483019.db2.gz OEKDVUZDGYBJHF-IRLDBZIGSA-N 1 1 395.528 3.233 20 30 GGEDMO C=CCOc1cccc(C[NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)c1 ZINC000122552518 1414498063 /nfs/dbraw/zinc/49/80/63/1414498063.db2.gz IFULFSVDJDMOKS-UHFFFAOYSA-N 1 1 389.503 3.095 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)c(F)c(F)c3F)CC2)cc1 ZINC000122692154 1414540037 /nfs/dbraw/zinc/54/00/37/1414540037.db2.gz STESCDPGDMGQBV-UHFFFAOYSA-N 1 1 391.368 3.463 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(F)c(F)c(F)c3F)CC2)cc1 ZINC000122692154 1414540043 /nfs/dbraw/zinc/54/00/43/1414540043.db2.gz STESCDPGDMGQBV-UHFFFAOYSA-N 1 1 391.368 3.463 20 30 GGEDMO COCCOc1cccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000122807312 1414570006 /nfs/dbraw/zinc/57/00/06/1414570006.db2.gz GUYLSSPVNDXTBQ-UHFFFAOYSA-N 1 1 379.504 3.291 20 30 GGEDMO COCCOc1cccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000122807312 1414570014 /nfs/dbraw/zinc/57/00/14/1414570014.db2.gz GUYLSSPVNDXTBQ-UHFFFAOYSA-N 1 1 379.504 3.291 20 30 GGEDMO COCCOc1ccccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122830593 1414575868 /nfs/dbraw/zinc/57/58/68/1414575868.db2.gz DQOUBQDYKSACOV-UHFFFAOYSA-N 1 1 379.504 3.291 20 30 GGEDMO COCCOc1ccccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122830593 1414575872 /nfs/dbraw/zinc/57/58/72/1414575872.db2.gz DQOUBQDYKSACOV-UHFFFAOYSA-N 1 1 379.504 3.291 20 30 GGEDMO COCCOc1ccccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122830593 1414575875 /nfs/dbraw/zinc/57/58/75/1414575875.db2.gz DQOUBQDYKSACOV-UHFFFAOYSA-N 1 1 379.504 3.291 20 30 GGEDMO Cn1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(-c2ccncc2)n1 ZINC000122835336 1414576776 /nfs/dbraw/zinc/57/67/76/1414576776.db2.gz DHIPWCGJFKKKJP-UHFFFAOYSA-N 1 1 386.503 3.062 20 30 GGEDMO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccncc2)n1 ZINC000122835336 1414576781 /nfs/dbraw/zinc/57/67/81/1414576781.db2.gz DHIPWCGJFKKKJP-UHFFFAOYSA-N 1 1 386.503 3.062 20 30 GGEDMO Cn1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccncc2)n1 ZINC000122835336 1414576790 /nfs/dbraw/zinc/57/67/90/1414576790.db2.gz DHIPWCGJFKKKJP-UHFFFAOYSA-N 1 1 386.503 3.062 20 30 GGEDMO Cc1cc(C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)cc(C)c1OCC(F)(F)F ZINC000123060749 1414630838 /nfs/dbraw/zinc/63/08/38/1414630838.db2.gz WASTWHXWKARDJP-OAHLLOKOSA-N 1 1 385.430 3.437 20 30 GGEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000177663247 1428826475 /nfs/dbraw/zinc/82/64/75/1428826475.db2.gz COBLZAGQMHVEPY-GOSISDBHSA-N 1 1 393.491 3.049 20 30 GGEDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@@H]1C ZINC000123568896 1414777758 /nfs/dbraw/zinc/77/77/58/1414777758.db2.gz XZOCCWVJGHYZQH-KDURUIRLSA-N 1 1 392.503 3.054 20 30 GGEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC3(CCC3)C1)CCCC2 ZINC000123626578 1414800186 /nfs/dbraw/zinc/80/01/86/1414800186.db2.gz VMXRVUVRZYVBSL-QGZVFWFLSA-N 1 1 396.535 3.232 20 30 GGEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCC3(CCC3)C1)CCCC2 ZINC000123626578 1414800187 /nfs/dbraw/zinc/80/01/87/1414800187.db2.gz VMXRVUVRZYVBSL-QGZVFWFLSA-N 1 1 396.535 3.232 20 30 GGEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC3(CCC3)C1)CCCC2 ZINC000123626316 1414800416 /nfs/dbraw/zinc/80/04/16/1414800416.db2.gz VMXRVUVRZYVBSL-KRWDZBQOSA-N 1 1 396.535 3.232 20 30 GGEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCC3(CCC3)C1)CCCC2 ZINC000123626316 1414800419 /nfs/dbraw/zinc/80/04/19/1414800419.db2.gz VMXRVUVRZYVBSL-KRWDZBQOSA-N 1 1 396.535 3.232 20 30 GGEDMO CC(C)c1[nH+]ccn1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000123632706 1414801313 /nfs/dbraw/zinc/80/13/13/1414801313.db2.gz OOTCDQFAYWRHSB-MRXNPFEDSA-N 1 1 395.507 3.376 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000123704624 1414812788 /nfs/dbraw/zinc/81/27/88/1414812788.db2.gz IGJAZSXEDVNAOS-HXUWFJFHSA-N 1 1 393.535 3.238 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1ccc(C#N)cc1 ZINC000123731850 1414817147 /nfs/dbraw/zinc/81/71/47/1414817147.db2.gz QDOWLWFROKEMDL-JOCHJYFZSA-N 1 1 376.504 3.399 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCc2ccccn2)c1C#N ZINC000123768010 1414821961 /nfs/dbraw/zinc/82/19/61/1414821961.db2.gz RGLJYZKHZMRPJF-UHFFFAOYSA-N 1 1 391.475 3.126 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCc2ccccn2)c1C#N ZINC000123768010 1414821962 /nfs/dbraw/zinc/82/19/62/1414821962.db2.gz RGLJYZKHZMRPJF-UHFFFAOYSA-N 1 1 391.475 3.126 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000124010252 1414868607 /nfs/dbraw/zinc/86/86/07/1414868607.db2.gz LVOCRXDHNNBVNO-KRWDZBQOSA-N 1 1 380.467 3.232 20 30 GGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000124150401 1414896170 /nfs/dbraw/zinc/89/61/70/1414896170.db2.gz VHFJTOFCMJIJFM-GOSISDBHSA-N 1 1 384.524 3.151 20 30 GGEDMO N#Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000124197717 1414906500 /nfs/dbraw/zinc/90/65/00/1414906500.db2.gz BYTTUUZXHYIBCV-UHFFFAOYSA-N 1 1 384.867 3.366 20 30 GGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124236183 1414916646 /nfs/dbraw/zinc/91/66/46/1414916646.db2.gz FKEYODYKVJTAHI-IBGZPJMESA-N 1 1 385.471 3.247 20 30 GGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124236183 1414916648 /nfs/dbraw/zinc/91/66/48/1414916648.db2.gz FKEYODYKVJTAHI-IBGZPJMESA-N 1 1 385.471 3.247 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000177743363 1428848421 /nfs/dbraw/zinc/84/84/21/1428848421.db2.gz QVERMRGXEDIJFY-IEBWSBKVSA-N 1 1 379.460 3.094 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000177743363 1428848422 /nfs/dbraw/zinc/84/84/22/1428848422.db2.gz QVERMRGXEDIJFY-IEBWSBKVSA-N 1 1 379.460 3.094 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)CCCn2ccnc2)c1C#N ZINC000124284349 1414929187 /nfs/dbraw/zinc/92/91/87/1414929187.db2.gz WHEWEYFWXDLHMP-UHFFFAOYSA-N 1 1 390.491 3.123 20 30 GGEDMO N#CCSc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000125160367 1415121312 /nfs/dbraw/zinc/12/13/12/1415121312.db2.gz DYHMZUSEXPEKHG-HXUWFJFHSA-N 1 1 395.528 3.189 20 30 GGEDMO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125291237 1415154720 /nfs/dbraw/zinc/15/47/20/1415154720.db2.gz RGMGDMTVHXQMNU-HZPDHXFCSA-N 1 1 381.476 3.273 20 30 GGEDMO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125291237 1415154724 /nfs/dbraw/zinc/15/47/24/1415154724.db2.gz RGMGDMTVHXQMNU-HZPDHXFCSA-N 1 1 381.476 3.273 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000125293735 1415155812 /nfs/dbraw/zinc/15/58/12/1415155812.db2.gz NMGIOLKZCHVDOR-UFYCRDLUSA-N 1 1 398.551 3.339 20 30 GGEDMO C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000125411369 1415190897 /nfs/dbraw/zinc/19/08/97/1415190897.db2.gz BKTIQHQULSYADW-UHFFFAOYSA-N 1 1 378.432 3.079 20 30 GGEDMO N#Cc1c(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cn2ccccc12 ZINC000125476268 1415210333 /nfs/dbraw/zinc/21/03/33/1415210333.db2.gz VEUULLRGHPZVIZ-UHFFFAOYSA-N 1 1 390.462 3.478 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000125480693 1415211256 /nfs/dbraw/zinc/21/12/56/1415211256.db2.gz QEAXDYIRZSXNRC-UHFFFAOYSA-N 1 1 388.475 3.034 20 30 GGEDMO C=CC[NH+]1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000177868899 1428878317 /nfs/dbraw/zinc/87/83/17/1428878317.db2.gz PNBMWRWKTZLJNL-IBGZPJMESA-N 1 1 376.589 3.323 20 30 GGEDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000125759606 1415273034 /nfs/dbraw/zinc/27/30/34/1415273034.db2.gz BWRQSOUDBPBUMI-HNNXBMFYSA-N 1 1 378.432 3.439 20 30 GGEDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000125759606 1415273042 /nfs/dbraw/zinc/27/30/42/1415273042.db2.gz BWRQSOUDBPBUMI-HNNXBMFYSA-N 1 1 378.432 3.439 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccnc(Br)c3)CC2)cc1 ZINC000125774859 1415277198 /nfs/dbraw/zinc/27/71/98/1415277198.db2.gz VWXYXLPTXCCSKF-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccnc(Br)c3)CC2)cc1 ZINC000125774859 1415277200 /nfs/dbraw/zinc/27/72/00/1415277200.db2.gz VWXYXLPTXCCSKF-UHFFFAOYSA-N 1 1 399.292 3.064 20 30 GGEDMO CC[C@H](NC(=O)NCc1ccc(C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177906757 1428888808 /nfs/dbraw/zinc/88/88/08/1428888808.db2.gz VNRJJDIOMMKRCM-FCHUYYIVSA-N 1 1 392.503 3.037 20 30 GGEDMO CC[C@H](NC(=O)NCc1ccc(C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177906757 1428888811 /nfs/dbraw/zinc/88/88/11/1428888811.db2.gz VNRJJDIOMMKRCM-FCHUYYIVSA-N 1 1 392.503 3.037 20 30 GGEDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000125827442 1415291437 /nfs/dbraw/zinc/29/14/37/1415291437.db2.gz JOVWZYGPCMMKKA-KXBFYZLASA-N 1 1 387.480 3.029 20 30 GGEDMO N#CCOc1cccc(CC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000125858527 1415298543 /nfs/dbraw/zinc/29/85/43/1415298543.db2.gz PVZYJMWITUUDQS-UHFFFAOYSA-N 1 1 391.515 3.299 20 30 GGEDMO COCc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000125944440 1415319057 /nfs/dbraw/zinc/31/90/57/1415319057.db2.gz DBIHJTFQTYAZPE-UHFFFAOYSA-N 1 1 392.503 3.122 20 30 GGEDMO Cc1cccc(NCCNC(=O)c2occc2COc2cccc(C#N)c2)[nH+]1 ZINC000126112122 1415360830 /nfs/dbraw/zinc/36/08/30/1415360830.db2.gz UHMHKHMPIOREBH-UHFFFAOYSA-N 1 1 376.416 3.276 20 30 GGEDMO Cn1cc(N2CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)cn1 ZINC000126122662 1415363340 /nfs/dbraw/zinc/36/33/40/1415363340.db2.gz LLHHHCDJQPFYKW-UHFFFAOYSA-N 1 1 387.487 3.193 20 30 GGEDMO Cc1cccc(NCCNC(=O)c2ccc(COc3ccccc3C#N)o2)[nH+]1 ZINC000126181134 1415378496 /nfs/dbraw/zinc/37/84/96/1415378496.db2.gz WNJLCYMOMTXJSP-UHFFFAOYSA-N 1 1 376.416 3.276 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000126612516 1415507219 /nfs/dbraw/zinc/50/72/19/1415507219.db2.gz YGPZLRLXKVNCCY-NRFANRHFSA-N 1 1 392.503 3.389 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)/C=C/c3ccc(Cl)nc3)CC2)cc1 ZINC000126635606 1415512744 /nfs/dbraw/zinc/51/27/44/1415512744.db2.gz KHWMJDOGUAKDCI-VQHVLOKHSA-N 1 1 380.879 3.354 20 30 GGEDMO COc1ccc(C[C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000126635143 1415513350 /nfs/dbraw/zinc/51/33/50/1415513350.db2.gz LSXCILHQIWTTGZ-IBGZPJMESA-N 1 1 391.515 3.480 20 30 GGEDMO COc1ccc(C[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000126635143 1415513353 /nfs/dbraw/zinc/51/33/53/1415513353.db2.gz LSXCILHQIWTTGZ-IBGZPJMESA-N 1 1 391.515 3.480 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000126725983 1415540202 /nfs/dbraw/zinc/54/02/02/1415540202.db2.gz RSUHBOZAFFDUFB-WMZOPIPTSA-N 1 1 392.507 3.083 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000126725983 1415540208 /nfs/dbraw/zinc/54/02/08/1415540208.db2.gz RSUHBOZAFFDUFB-WMZOPIPTSA-N 1 1 392.507 3.083 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000126750745 1415547675 /nfs/dbraw/zinc/54/76/75/1415547675.db2.gz HDONTAKCYMVAPU-QGZVFWFLSA-N 1 1 375.538 3.223 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178058300 1428960212 /nfs/dbraw/zinc/96/02/12/1428960212.db2.gz WBWDBLXLPGNIFV-QZTJIDSGSA-N 1 1 390.487 3.027 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178058300 1428960218 /nfs/dbraw/zinc/96/02/18/1428960218.db2.gz WBWDBLXLPGNIFV-QZTJIDSGSA-N 1 1 390.487 3.027 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1cccc(OCC#N)c1 ZINC000127021525 1415641677 /nfs/dbraw/zinc/64/16/77/1415641677.db2.gz JKWYQLFWMPCPDM-IBGZPJMESA-N 1 1 392.503 3.395 20 30 GGEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000127286075 1415719136 /nfs/dbraw/zinc/71/91/36/1415719136.db2.gz KLMMEECTYVWCTL-CYBMUJFWSA-N 1 1 387.833 3.327 20 30 GGEDMO C#CC[N@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC000127532192 1415805667 /nfs/dbraw/zinc/80/56/67/1415805667.db2.gz VNKPNJZIEPESOT-LJQANCHMSA-N 1 1 398.890 3.335 20 30 GGEDMO CCC1(CO)CC[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000127808832 1415854772 /nfs/dbraw/zinc/85/47/72/1415854772.db2.gz HPYXTUGGEYXQBC-UHFFFAOYSA-N 1 1 377.916 3.380 20 30 GGEDMO CCC1(CO)CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000128156318 1415927748 /nfs/dbraw/zinc/92/77/48/1415927748.db2.gz KXYSBMZFKVAJNT-INIZCTEOSA-N 1 1 375.538 3.361 20 30 GGEDMO CC[C@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000128177074 1415932055 /nfs/dbraw/zinc/93/20/55/1415932055.db2.gz VROGYODPEURIKW-YWZLYKJASA-N 1 1 376.460 3.129 20 30 GGEDMO Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000128225168 1415943862 /nfs/dbraw/zinc/94/38/62/1415943862.db2.gz ZSKPRXQSIFBMJO-MRXNPFEDSA-N 1 1 395.507 3.012 20 30 GGEDMO C[NH+]1CCN(C(=O)Cc2ccc(NC3CC(C#N)(c4ccccc4)C3)cc2)CC1 ZINC000128572082 1416016582 /nfs/dbraw/zinc/01/65/82/1416016582.db2.gz HDLQYSHLPUJIBN-UHFFFAOYSA-N 1 1 388.515 3.039 20 30 GGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000128611126 1416025412 /nfs/dbraw/zinc/02/54/12/1416025412.db2.gz PBKVUVJFNHIBRD-UHFFFAOYSA-N 1 1 377.488 3.280 20 30 GGEDMO CC(C)C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000128868697 1416088610 /nfs/dbraw/zinc/08/86/10/1416088610.db2.gz HRLLGEUPPZYHMO-LFDOHDQPSA-N 1 1 377.452 3.155 20 30 GGEDMO CC(C)C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000128868474 1416088704 /nfs/dbraw/zinc/08/87/04/1416088704.db2.gz HRLLGEUPPZYHMO-NGEICVOHSA-N 1 1 377.452 3.155 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1 ZINC000128927316 1416104223 /nfs/dbraw/zinc/10/42/23/1416104223.db2.gz CKQOYBJHVZNIPX-UHFFFAOYSA-N 1 1 385.558 3.109 20 30 GGEDMO N#Cc1nccnc1N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000178353132 1429059359 /nfs/dbraw/zinc/05/93/59/1429059359.db2.gz WOAJUBSQUCTBAQ-UHFFFAOYSA-N 1 1 399.498 3.276 20 30 GGEDMO C[C@@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000128948601 1416110593 /nfs/dbraw/zinc/11/05/93/1416110593.db2.gz FDRNYMGEGSQOQQ-LJQANCHMSA-N 1 1 377.488 3.254 20 30 GGEDMO C[C@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000128948792 1416111540 /nfs/dbraw/zinc/11/15/40/1416111540.db2.gz FDRNYMGEGSQOQQ-IBGZPJMESA-N 1 1 377.488 3.254 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129368776 1416197770 /nfs/dbraw/zinc/19/77/70/1416197770.db2.gz QCTAKSBTELBYMQ-HBFSDRIKSA-N 1 1 395.507 3.110 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000129515571 1416221598 /nfs/dbraw/zinc/22/15/98/1416221598.db2.gz WAJDIJYGRPKAQG-IRFCIJBXSA-N 1 1 379.508 3.410 20 30 GGEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)cn1 ZINC000129770695 1416261395 /nfs/dbraw/zinc/26/13/95/1416261395.db2.gz ZJGIMSNPNREERC-LJQANCHMSA-N 1 1 386.459 3.158 20 30 GGEDMO Cc1noc(C)c1[C@@H](C)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000129999683 1416300265 /nfs/dbraw/zinc/30/02/65/1416300265.db2.gz FZRLGBWJDHCVOX-LBPRGKRZSA-N 1 1 379.464 3.055 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)cc1 ZINC000130175545 1416332831 /nfs/dbraw/zinc/33/28/31/1416332831.db2.gz NWWAIEGWAHKPRP-INIZCTEOSA-N 1 1 389.546 3.119 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cc1 ZINC000130175545 1416332837 /nfs/dbraw/zinc/33/28/37/1416332837.db2.gz NWWAIEGWAHKPRP-INIZCTEOSA-N 1 1 389.546 3.119 20 30 GGEDMO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000130551127 1416397879 /nfs/dbraw/zinc/39/78/79/1416397879.db2.gz WFANUASHVHDCPC-LJQANCHMSA-N 1 1 379.460 3.081 20 30 GGEDMO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000130551127 1416397884 /nfs/dbraw/zinc/39/78/84/1416397884.db2.gz WFANUASHVHDCPC-LJQANCHMSA-N 1 1 379.460 3.081 20 30 GGEDMO CCN1CC[NH+](CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CC1 ZINC000130561178 1416398950 /nfs/dbraw/zinc/39/89/50/1416398950.db2.gz BZCHZMWOMSZGDA-UHFFFAOYSA-N 1 1 393.491 3.020 20 30 GGEDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000130583232 1416403942 /nfs/dbraw/zinc/40/39/42/1416403942.db2.gz ADLCXAVKHHKOKX-UHFFFAOYSA-N 1 1 378.432 3.398 20 30 GGEDMO Cc1nccn1CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000130632282 1416414062 /nfs/dbraw/zinc/41/40/62/1416414062.db2.gz QHUXYTCSJYMVHX-UHFFFAOYSA-N 1 1 385.537 3.354 20 30 GGEDMO COc1ccccc1OCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130820163 1416459034 /nfs/dbraw/zinc/45/90/34/1416459034.db2.gz HEBPMHCOLXEMQV-UHFFFAOYSA-N 1 1 388.471 3.316 20 30 GGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000130828594 1416462354 /nfs/dbraw/zinc/46/23/54/1416462354.db2.gz ZMPFBPYREHSSPK-NRFANRHFSA-N 1 1 376.435 3.101 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000131124137 1416512479 /nfs/dbraw/zinc/51/24/79/1416512479.db2.gz LLVDPNBPYMOORY-GHTZIAJQSA-N 1 1 385.533 3.338 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000131124137 1416512481 /nfs/dbraw/zinc/51/24/81/1416512481.db2.gz LLVDPNBPYMOORY-GHTZIAJQSA-N 1 1 385.533 3.338 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1)C1CC1 ZINC000131166603 1416518439 /nfs/dbraw/zinc/51/84/39/1416518439.db2.gz YPJIAMZJBNTEHK-GHTZIAJQSA-N 1 1 383.517 3.092 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1)C1CC1 ZINC000131166603 1416518442 /nfs/dbraw/zinc/51/84/42/1416518442.db2.gz YPJIAMZJBNTEHK-GHTZIAJQSA-N 1 1 383.517 3.092 20 30 GGEDMO C=CCOc1cccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000131305360 1416537844 /nfs/dbraw/zinc/53/78/44/1416537844.db2.gz ODOFYPSVYBXXIK-WOJBJXKFSA-N 1 1 381.476 3.008 20 30 GGEDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000131305904 1416537868 /nfs/dbraw/zinc/53/78/68/1416537868.db2.gz AZNSNGAYGAWRSX-KRWDZBQOSA-N 1 1 399.926 3.275 20 30 GGEDMO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131314324 1416539024 /nfs/dbraw/zinc/53/90/24/1416539024.db2.gz KPKRNZBRDOSRJY-QFIPXVFZSA-N 1 1 389.499 3.272 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC000131413283 1416553551 /nfs/dbraw/zinc/55/35/51/1416553551.db2.gz NZBKLGCYDIOCCH-UHFFFAOYSA-N 1 1 396.472 3.404 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC000131413283 1416553553 /nfs/dbraw/zinc/55/35/53/1416553553.db2.gz NZBKLGCYDIOCCH-UHFFFAOYSA-N 1 1 396.472 3.404 20 30 GGEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178564694 1429107844 /nfs/dbraw/zinc/10/78/44/1429107844.db2.gz NIDADYOWHCPPPO-UHFFFAOYSA-N 1 1 391.519 3.326 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000178570766 1429109905 /nfs/dbraw/zinc/10/99/05/1429109905.db2.gz FIFBSGIIZSPWKH-QGZVFWFLSA-N 1 1 377.492 3.199 20 30 GGEDMO CC(C)Oc1cc(C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000131656086 1416591637 /nfs/dbraw/zinc/59/16/37/1416591637.db2.gz SYNRIQIPSSLDSW-FQEVSTJZSA-N 1 1 381.476 3.145 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000178574131 1429111074 /nfs/dbraw/zinc/11/10/74/1429111074.db2.gz IBGTXZAXKYQSAA-QGZVFWFLSA-N 1 1 377.492 3.199 20 30 GGEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1)c1cccc(Cl)c1 ZINC000131715255 1416603352 /nfs/dbraw/zinc/60/33/52/1416603352.db2.gz NZTAVDXDBANLJT-IBGZPJMESA-N 1 1 384.867 3.135 20 30 GGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H](Oc2ccncc2)C1)c1cccc(Cl)c1 ZINC000131715255 1416603356 /nfs/dbraw/zinc/60/33/56/1416603356.db2.gz NZTAVDXDBANLJT-IBGZPJMESA-N 1 1 384.867 3.135 20 30 GGEDMO C#CCSCCNc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000131770749 1416617011 /nfs/dbraw/zinc/61/70/11/1416617011.db2.gz OSNJAPQLXLDVOY-UHFFFAOYSA-N 1 1 392.550 3.016 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000178586880 1429115001 /nfs/dbraw/zinc/11/50/01/1429115001.db2.gz LYQAVRKJWYCIRJ-UHFFFAOYSA-N 1 1 377.492 3.153 20 30 GGEDMO CC(C)[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000178593160 1429115553 /nfs/dbraw/zinc/11/55/53/1429115553.db2.gz SXBJGRBXFQIGLE-KRWDZBQOSA-N 1 1 384.524 3.229 20 30 GGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000178590913 1429115749 /nfs/dbraw/zinc/11/57/49/1429115749.db2.gz OHIXKZPDTZDNCZ-QGZVFWFLSA-N 1 1 384.524 3.254 20 30 GGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000178590913 1429115756 /nfs/dbraw/zinc/11/57/56/1429115756.db2.gz OHIXKZPDTZDNCZ-QGZVFWFLSA-N 1 1 384.524 3.254 20 30 GGEDMO N#CCC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000131963604 1416661080 /nfs/dbraw/zinc/66/10/80/1416661080.db2.gz IZDBXWUROWBCKX-JOCHJYFZSA-N 1 1 392.503 3.363 20 30 GGEDMO N#CCC[C@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000131963826 1416661171 /nfs/dbraw/zinc/66/11/71/1416661171.db2.gz IZDBXWUROWBCKX-QFIPXVFZSA-N 1 1 392.503 3.363 20 30 GGEDMO COc1ccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C(C)(C)C)c(OC)c1 ZINC000132214798 1416718475 /nfs/dbraw/zinc/71/84/75/1416718475.db2.gz BNYYWIKFYCLMAH-NRFANRHFSA-N 1 1 375.513 3.359 20 30 GGEDMO COc1ccc(C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C(C)(C)C)c(OC)c1 ZINC000132214798 1416718478 /nfs/dbraw/zinc/71/84/78/1416718478.db2.gz BNYYWIKFYCLMAH-NRFANRHFSA-N 1 1 375.513 3.359 20 30 GGEDMO C[C@H]1C[C@H](N(C)C(=O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132226664 1416720231 /nfs/dbraw/zinc/72/02/31/1416720231.db2.gz SBGHXIZBCSMBHQ-GHTZIAJQSA-N 1 1 377.488 3.449 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3cc(F)cc(F)c3)CC2)cc1 ZINC000132225608 1416720339 /nfs/dbraw/zinc/72/03/39/1416720339.db2.gz PNQBRGKNCSOAFI-UHFFFAOYSA-N 1 1 398.457 3.296 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000132234220 1416721538 /nfs/dbraw/zinc/72/15/38/1416721538.db2.gz IGHADWVXJYQZKD-IAGOWNOFSA-N 1 1 388.537 3.124 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000132281651 1416728664 /nfs/dbraw/zinc/72/86/64/1416728664.db2.gz BIIHBLUFJLHRLQ-IAGOWNOFSA-N 1 1 388.537 3.267 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOC[C@H]2C2CC2)c1C#N ZINC000132341814 1416740765 /nfs/dbraw/zinc/74/07/65/1416740765.db2.gz XPNRHPYKFCBCJF-FQEVSTJZSA-N 1 1 396.491 3.057 20 30 GGEDMO C[C@@H]1C[C@H](N(C)C(=O)COc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000132421092 1416757021 /nfs/dbraw/zinc/75/70/21/1416757021.db2.gz IJFYGFCBNZHTFZ-WIYYLYMNSA-N 1 1 377.488 3.449 20 30 GGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N(CCC#N)CC3CC3)cc2)C1 ZINC000132605621 1416792469 /nfs/dbraw/zinc/79/24/69/1416792469.db2.gz XOVYJVJLIARNLE-KRWDZBQOSA-N 1 1 382.508 3.009 20 30 GGEDMO COC(=O)c1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000132608451 1416793136 /nfs/dbraw/zinc/79/31/36/1416793136.db2.gz CNQMOGSGMCGFNQ-UHFFFAOYSA-N 1 1 383.517 3.423 20 30 GGEDMO COC(=O)c1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000132608451 1416793139 /nfs/dbraw/zinc/79/31/39/1416793139.db2.gz CNQMOGSGMCGFNQ-UHFFFAOYSA-N 1 1 383.517 3.423 20 30 GGEDMO COC(=O)c1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000132608451 1416793143 /nfs/dbraw/zinc/79/31/43/1416793143.db2.gz CNQMOGSGMCGFNQ-UHFFFAOYSA-N 1 1 383.517 3.423 20 30 GGEDMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3cc(C#N)ccc3C)C2)cc(OC)c1 ZINC000132760161 1416812152 /nfs/dbraw/zinc/81/21/52/1416812152.db2.gz QZZMVDCIHNBBFR-GOSISDBHSA-N 1 1 394.475 3.280 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)Nc3cc(C#N)ccc3C)C2)cc(OC)c1 ZINC000132760161 1416812153 /nfs/dbraw/zinc/81/21/53/1416812153.db2.gz QZZMVDCIHNBBFR-GOSISDBHSA-N 1 1 394.475 3.280 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cc1 ZINC000132979532 1416838348 /nfs/dbraw/zinc/83/83/48/1416838348.db2.gz IXEIETNOCYGPHI-UHFFFAOYSA-N 1 1 377.423 3.309 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cc1 ZINC000132979532 1416838351 /nfs/dbraw/zinc/83/83/51/1416838351.db2.gz IXEIETNOCYGPHI-UHFFFAOYSA-N 1 1 377.423 3.309 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000133065158 1416847871 /nfs/dbraw/zinc/84/78/71/1416847871.db2.gz GTMIVVVKDNHZBY-NRFANRHFSA-N 1 1 392.503 3.040 20 30 GGEDMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000133309060 1416876916 /nfs/dbraw/zinc/87/69/16/1416876916.db2.gz GSCWRJCREHMNFG-HNNXBMFYSA-N 1 1 399.520 3.073 20 30 GGEDMO CC(C)C(N)=[NH+]OCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000133686192 1416940964 /nfs/dbraw/zinc/94/09/64/1416940964.db2.gz MLJMMERVSZZDTK-OAHLLOKOSA-N 1 1 382.464 3.061 20 30 GGEDMO COc1cc(C[N@@H+]2CCCC3(C2)OCCO3)ccc1OCc1cccc(C#N)c1 ZINC000133759628 1416958139 /nfs/dbraw/zinc/95/81/39/1416958139.db2.gz LLEVZMVFEBDSAM-UHFFFAOYSA-N 1 1 394.471 3.485 20 30 GGEDMO COc1cc(C[N@H+]2CCCC3(C2)OCCO3)ccc1OCc1cccc(C#N)c1 ZINC000133759628 1416958146 /nfs/dbraw/zinc/95/81/46/1416958146.db2.gz LLEVZMVFEBDSAM-UHFFFAOYSA-N 1 1 394.471 3.485 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000133804090 1416966372 /nfs/dbraw/zinc/96/63/72/1416966372.db2.gz WIFOPRBMNXBAEY-WBVHZDCISA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000133804090 1416966379 /nfs/dbraw/zinc/96/63/79/1416966379.db2.gz WIFOPRBMNXBAEY-WBVHZDCISA-N 1 1 386.496 3.122 20 30 GGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000133806242 1416967359 /nfs/dbraw/zinc/96/73/59/1416967359.db2.gz ASGLVMZITICVJS-UHFFFAOYSA-N 1 1 377.916 3.422 20 30 GGEDMO COc1ccc(C[NH+]2CCN(c3nc(C)cs3)CC2)cc1OCCCC#N ZINC000133878242 1416986458 /nfs/dbraw/zinc/98/64/58/1416986458.db2.gz GUQBQRYOQGHHGR-UHFFFAOYSA-N 1 1 386.521 3.465 20 30 GGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCc3ccccc3[C@@H]2CO)sc2c1CCCC2 ZINC000133880649 1416987056 /nfs/dbraw/zinc/98/70/56/1416987056.db2.gz PDYQYLJYGWNGDW-IBGZPJMESA-N 1 1 395.528 3.419 20 30 GGEDMO Cc1cccc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000133912564 1416993884 /nfs/dbraw/zinc/99/38/84/1416993884.db2.gz VZVJZLQTMWYQFK-IBGZPJMESA-N 1 1 383.517 3.009 20 30 GGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000134022303 1417010935 /nfs/dbraw/zinc/01/09/35/1417010935.db2.gz GKVZYDFICWVBJJ-IBGZPJMESA-N 1 1 384.524 3.089 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000134122680 1417025545 /nfs/dbraw/zinc/02/55/45/1417025545.db2.gz IXOFCOSDCZESIB-NVXWUHKLSA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000134122680 1417025547 /nfs/dbraw/zinc/02/55/47/1417025547.db2.gz IXOFCOSDCZESIB-NVXWUHKLSA-N 1 1 386.496 3.122 20 30 GGEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000134171852 1417032965 /nfs/dbraw/zinc/03/29/65/1417032965.db2.gz BBYHMXGXUWQARA-DEOSSOPVSA-N 1 1 391.515 3.085 20 30 GGEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134212468 1417038295 /nfs/dbraw/zinc/03/82/95/1417038295.db2.gz FUJYRWPBJDNTKG-HNNXBMFYSA-N 1 1 386.521 3.432 20 30 GGEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134212468 1417038301 /nfs/dbraw/zinc/03/83/01/1417038301.db2.gz FUJYRWPBJDNTKG-HNNXBMFYSA-N 1 1 386.521 3.432 20 30 GGEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134212358 1417038462 /nfs/dbraw/zinc/03/84/62/1417038462.db2.gz FUJYRWPBJDNTKG-OAHLLOKOSA-N 1 1 386.521 3.432 20 30 GGEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000134212358 1417038469 /nfs/dbraw/zinc/03/84/69/1417038469.db2.gz FUJYRWPBJDNTKG-OAHLLOKOSA-N 1 1 386.521 3.432 20 30 GGEDMO COC(=O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCC1 ZINC000134246810 1417043734 /nfs/dbraw/zinc/04/37/34/1417043734.db2.gz WUVGMZOOLSKNNI-UHFFFAOYSA-N 1 1 389.521 3.245 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000134320458 1417054825 /nfs/dbraw/zinc/05/48/25/1417054825.db2.gz FRYQGKYQJUAPEE-NRFANRHFSA-N 1 1 380.488 3.105 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@@H](CO)C(C)(C)C)c1C#N ZINC000134382225 1417062613 /nfs/dbraw/zinc/06/26/13/1417062613.db2.gz KNSVFKKTNOSERJ-FQEVSTJZSA-N 1 1 396.535 3.302 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134452075 1417070278 /nfs/dbraw/zinc/07/02/78/1417070278.db2.gz UNVYZGBISROBOE-STQMWFEESA-N 1 1 388.459 3.349 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134452075 1417070283 /nfs/dbraw/zinc/07/02/83/1417070283.db2.gz UNVYZGBISROBOE-STQMWFEESA-N 1 1 388.459 3.349 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000134622203 1417099021 /nfs/dbraw/zinc/09/90/21/1417099021.db2.gz DDUKORQGEIITTA-WBVHZDCISA-N 1 1 386.496 3.264 20 30 GGEDMO CC1CC[NH+](CC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000134640981 1417103447 /nfs/dbraw/zinc/10/34/47/1417103447.db2.gz HNJIPPXPZYISPX-UHFFFAOYSA-N 1 1 376.460 3.481 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000134650864 1417104889 /nfs/dbraw/zinc/10/48/89/1417104889.db2.gz ANDVBSMKMLJANK-YJBOKZPZSA-N 1 1 386.496 3.264 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000134664435 1417109102 /nfs/dbraw/zinc/10/91/02/1417109102.db2.gz AIPHNKOXCLBBMU-WMLDXEAASA-N 1 1 397.479 3.486 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000134664435 1417109110 /nfs/dbraw/zinc/10/91/10/1417109110.db2.gz AIPHNKOXCLBBMU-WMLDXEAASA-N 1 1 397.479 3.486 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CCN1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)CCC2 ZINC000134888655 1417139933 /nfs/dbraw/zinc/13/99/33/1417139933.db2.gz WRWZQRJGXUHLQN-BEFAXECRSA-N 1 1 398.576 3.386 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H]3[C@H](CCCN3C3CC3)C1)CCC2 ZINC000134888655 1417139958 /nfs/dbraw/zinc/13/99/58/1417139958.db2.gz WRWZQRJGXUHLQN-BEFAXECRSA-N 1 1 398.576 3.386 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@H]3[C@H](CCCN3C3CC3)C1)CCC2 ZINC000134888655 1417139966 /nfs/dbraw/zinc/13/99/66/1417139966.db2.gz WRWZQRJGXUHLQN-BEFAXECRSA-N 1 1 398.576 3.386 20 30 GGEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1C#N ZINC000135134414 1417176589 /nfs/dbraw/zinc/17/65/89/1417176589.db2.gz DUXWAWPRXFQPNS-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1C#N ZINC000135134414 1417176593 /nfs/dbraw/zinc/17/65/93/1417176593.db2.gz DUXWAWPRXFQPNS-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135276111 1417201159 /nfs/dbraw/zinc/20/11/59/1417201159.db2.gz OIEYETXRMBYUOM-QGZVFWFLSA-N 1 1 397.523 3.286 20 30 GGEDMO C[N@@H+](CCC1CC1)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000135312102 1417206385 /nfs/dbraw/zinc/20/63/85/1417206385.db2.gz BQGMBXKVTOOIBG-QGZVFWFLSA-N 1 1 384.524 3.088 20 30 GGEDMO N#CCOc1cc(F)ccc1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000135322182 1417207161 /nfs/dbraw/zinc/20/71/61/1417207161.db2.gz SIOFSOHGLOOUKS-UHFFFAOYSA-N 1 1 382.439 3.298 20 30 GGEDMO Cc1cccc([C@H](O)C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccccc2)c1 ZINC000135494360 1417228652 /nfs/dbraw/zinc/22/86/52/1417228652.db2.gz SIVVJWXADMSPQW-VWNXMTODSA-N 1 1 391.515 3.339 20 30 GGEDMO Cc1cccc([C@H](O)C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccccc2)c1 ZINC000135494360 1417228657 /nfs/dbraw/zinc/22/86/57/1417228657.db2.gz SIVVJWXADMSPQW-VWNXMTODSA-N 1 1 391.515 3.339 20 30 GGEDMO COc1cccc(OCC[NH+]2CCN(CCCOc3ccc(C#N)cc3)CC2)c1 ZINC000178781041 1429168471 /nfs/dbraw/zinc/16/84/71/1429168471.db2.gz PGUXFWJMZNESCO-UHFFFAOYSA-N 1 1 395.503 3.032 20 30 GGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000135820196 1417270482 /nfs/dbraw/zinc/27/04/82/1417270482.db2.gz WXSLMNODJMLCLY-UHFFFAOYSA-N 1 1 390.483 3.137 20 30 GGEDMO C=CCNc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)s1 ZINC000136099608 1417291093 /nfs/dbraw/zinc/29/10/93/1417291093.db2.gz SSBYLUDVHJSCQV-UHFFFAOYSA-N 1 1 386.521 3.098 20 30 GGEDMO C=CCNc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)s1 ZINC000136099608 1417291096 /nfs/dbraw/zinc/29/10/96/1417291096.db2.gz SSBYLUDVHJSCQV-UHFFFAOYSA-N 1 1 386.521 3.098 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 ZINC000136205000 1417300905 /nfs/dbraw/zinc/30/09/05/1417300905.db2.gz REVYQVPCYIAKQH-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 ZINC000136205000 1417300911 /nfs/dbraw/zinc/30/09/11/1417300911.db2.gz REVYQVPCYIAKQH-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO C[N@H+]1CC[C@H](CNC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136473760 1417320078 /nfs/dbraw/zinc/32/00/78/1417320078.db2.gz MZPOSDFTDKSBSH-QAPCUYQASA-N 1 1 378.879 3.417 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000136656367 1417336152 /nfs/dbraw/zinc/33/61/52/1417336152.db2.gz CPRRRQUYHYNSPG-AEFFLSMTSA-N 1 1 379.426 3.183 20 30 GGEDMO Cc1nc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000178812813 1429178164 /nfs/dbraw/zinc/17/81/64/1429178164.db2.gz QUKKAVTUPQDXBR-LJQANCHMSA-N 1 1 386.459 3.158 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139869165 1417477658 /nfs/dbraw/zinc/47/76/58/1417477658.db2.gz UJNZOQLNIIONPO-ZHALLVOQSA-N 1 1 386.565 3.435 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000141038565 1417525431 /nfs/dbraw/zinc/52/54/31/1417525431.db2.gz PAZJZTQOCXCMND-BBRMVZONSA-N 1 1 390.471 3.286 20 30 GGEDMO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000141583508 1417545011 /nfs/dbraw/zinc/54/50/11/1417545011.db2.gz DZBPQQJRWGIWBE-OAQYLSRUSA-N 1 1 375.472 3.448 20 30 GGEDMO C=CCc1cc(OC)cc(C[NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)c1O ZINC000178850825 1429195281 /nfs/dbraw/zinc/19/52/81/1429195281.db2.gz SKGOLWZKVKLIIG-UHFFFAOYSA-N 1 1 396.487 3.096 20 30 GGEDMO C[C@H](C#N)CN(C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000143178620 1417617287 /nfs/dbraw/zinc/61/72/87/1417617287.db2.gz DJBQTCXKGFAIMN-HXUWFJFHSA-N 1 1 390.531 3.012 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000144709488 1417669549 /nfs/dbraw/zinc/66/95/49/1417669549.db2.gz ICXIHXHGSDKNRV-GDBMZVCRSA-N 1 1 390.915 3.167 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000144709488 1417669568 /nfs/dbraw/zinc/66/95/68/1417669568.db2.gz ICXIHXHGSDKNRV-GDBMZVCRSA-N 1 1 390.915 3.167 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000144766034 1417671157 /nfs/dbraw/zinc/67/11/57/1417671157.db2.gz YDBWONRWQYMRRI-IBGZPJMESA-N 1 1 398.532 3.418 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000144766034 1417671169 /nfs/dbraw/zinc/67/11/69/1417671169.db2.gz YDBWONRWQYMRRI-IBGZPJMESA-N 1 1 398.532 3.418 20 30 GGEDMO CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178877569 1429208387 /nfs/dbraw/zinc/20/83/87/1429208387.db2.gz UEZRLEAXMMPAOW-DGXQFHRRSA-N 1 1 394.563 3.367 20 30 GGEDMO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000150757435 1417800523 /nfs/dbraw/zinc/80/05/23/1417800523.db2.gz UUHWMVYXHNWAEO-LJQANCHMSA-N 1 1 398.894 3.137 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000150975360 1417847154 /nfs/dbraw/zinc/84/71/54/1417847154.db2.gz BCVHHYLUXNOQSR-QRQCMCJISA-N 1 1 391.515 3.404 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000151061484 1417864815 /nfs/dbraw/zinc/86/48/15/1417864815.db2.gz RKUSDEIDITVZLD-PMACEKPBSA-N 1 1 392.503 3.077 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000178918541 1429220082 /nfs/dbraw/zinc/22/00/82/1429220082.db2.gz ISLJXCLNNPASDV-IBGZPJMESA-N 1 1 390.405 3.161 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000178918541 1429220087 /nfs/dbraw/zinc/22/00/87/1429220087.db2.gz ISLJXCLNNPASDV-IBGZPJMESA-N 1 1 390.405 3.161 20 30 GGEDMO C[C@@H]1C[N@H+](C2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)CCO1 ZINC000178920979 1429220465 /nfs/dbraw/zinc/22/04/65/1429220465.db2.gz MSTLKODLEUFNQR-MRXNPFEDSA-N 1 1 382.426 3.122 20 30 GGEDMO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2S(=O)(=O)C(C)C)CC1 ZINC000151269334 1417909570 /nfs/dbraw/zinc/90/95/70/1417909570.db2.gz VOQRCZURMANOKY-UHFFFAOYSA-N 1 1 379.526 3.031 20 30 GGEDMO CC[C@H](NC(=O)CCc1ccc(C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151371658 1417939711 /nfs/dbraw/zinc/93/97/11/1417939711.db2.gz VDTMAFVPCHTOHB-GOTSBHOMSA-N 1 1 391.515 3.287 20 30 GGEDMO CC[C@H](NC(=O)CCc1ccc(C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151371658 1417939716 /nfs/dbraw/zinc/93/97/16/1417939716.db2.gz VDTMAFVPCHTOHB-GOTSBHOMSA-N 1 1 391.515 3.287 20 30 GGEDMO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000151471208 1417987288 /nfs/dbraw/zinc/98/72/88/1417987288.db2.gz VYNZVVZPODKEMZ-INIZCTEOSA-N 1 1 379.508 3.371 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cn1ccc(=S)c2ccccc21 ZINC000151469390 1417987471 /nfs/dbraw/zinc/98/74/71/1417987471.db2.gz CPHGGDFPTMMINF-OAHLLOKOSA-N 1 1 376.489 3.201 20 30 GGEDMO CC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151508730 1418007576 /nfs/dbraw/zinc/00/75/76/1418007576.db2.gz GPEJHPKFDTUMSM-VQTJNVASSA-N 1 1 399.441 3.246 20 30 GGEDMO CC[C@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151508730 1418007584 /nfs/dbraw/zinc/00/75/84/1418007584.db2.gz GPEJHPKFDTUMSM-VQTJNVASSA-N 1 1 399.441 3.246 20 30 GGEDMO CC(C)(C)C[C@H](NC(=O)CO[NH+]=C(N)C1CCOCC1)c1ccc(F)cc1 ZINC000151616031 1418041395 /nfs/dbraw/zinc/04/13/95/1418041395.db2.gz UCIUCZYSXBYVFJ-KRWDZBQOSA-N 1 1 379.476 3.135 20 30 GGEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COc2cccc(F)c2C#N)CC1 ZINC000178995097 1429236953 /nfs/dbraw/zinc/23/69/53/1429236953.db2.gz PJSHDPJJWLPOHK-UHFFFAOYSA-N 1 1 381.451 3.119 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000179197448 1429292205 /nfs/dbraw/zinc/29/22/05/1429292205.db2.gz WBZASMSKUODCLU-MRXNPFEDSA-N 1 1 397.306 3.158 20 30 GGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(OCC#N)cc1 ZINC000179271336 1429310101 /nfs/dbraw/zinc/31/01/01/1429310101.db2.gz MPALXTITVGRSDS-UHFFFAOYSA-N 1 1 380.492 3.299 20 30 GGEDMO C[NH+]1CCN([C@@H](C(=O)N[C@H](C#N)c2ccccc2Cl)c2ccccc2)CC1 ZINC000179544861 1429421898 /nfs/dbraw/zinc/42/18/98/1429421898.db2.gz CWMNBYSZRPGGQQ-WOJBJXKFSA-N 1 1 382.895 3.010 20 30 GGEDMO N#Cc1ccc(NC(=O)C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1Cl ZINC000179563173 1429436025 /nfs/dbraw/zinc/43/60/25/1429436025.db2.gz DAALDSQKVKDBDX-LJQANCHMSA-N 1 1 396.878 3.103 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000179571513 1429441187 /nfs/dbraw/zinc/44/11/87/1429441187.db2.gz WSYCWJBSMJWVGE-INIZCTEOSA-N 1 1 394.475 3.396 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000179571513 1429441194 /nfs/dbraw/zinc/44/11/94/1429441194.db2.gz WSYCWJBSMJWVGE-INIZCTEOSA-N 1 1 394.475 3.396 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000152325579 1422073270 /nfs/dbraw/zinc/07/32/70/1422073270.db2.gz SMWYWTZPGXKUII-UHFFFAOYSA-N 1 1 392.459 3.134 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC3(O)CCCC3)sc2C1 ZINC000152425198 1422099991 /nfs/dbraw/zinc/09/99/91/1422099991.db2.gz VGTYCJDDFCGZMD-CQSZACIVSA-N 1 1 375.538 3.310 20 30 GGEDMO C=CCc1cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000179738248 1429530621 /nfs/dbraw/zinc/53/06/21/1429530621.db2.gz QJMPPTINIVGDCK-OAHLLOKOSA-N 1 1 376.497 3.476 20 30 GGEDMO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000152576098 1422149511 /nfs/dbraw/zinc/14/95/11/1422149511.db2.gz IJKNRQIOKGFUKW-SOUVJXGZSA-N 1 1 375.538 3.451 20 30 GGEDMO C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000152576098 1422149515 /nfs/dbraw/zinc/14/95/15/1422149515.db2.gz IJKNRQIOKGFUKW-SOUVJXGZSA-N 1 1 375.538 3.451 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)c(C)n1 ZINC000179754173 1429540340 /nfs/dbraw/zinc/54/03/40/1429540340.db2.gz CIYSWBGSLDQDQS-IBGZPJMESA-N 1 1 378.476 3.094 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000152757413 1422238098 /nfs/dbraw/zinc/23/80/98/1422238098.db2.gz DKOLILJPMFDICB-MRXNPFEDSA-N 1 1 393.528 3.363 20 30 GGEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000153036955 1422335193 /nfs/dbraw/zinc/33/51/93/1422335193.db2.gz LZAGRSGUXBLVOR-HUUCEWRRSA-N 1 1 375.538 3.453 20 30 GGEDMO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000153058500 1422343096 /nfs/dbraw/zinc/34/30/96/1422343096.db2.gz JHNMDPWFSWQDJK-UHFFFAOYSA-N 1 1 398.894 3.119 20 30 GGEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000153058500 1422343104 /nfs/dbraw/zinc/34/31/04/1422343104.db2.gz JHNMDPWFSWQDJK-UHFFFAOYSA-N 1 1 398.894 3.119 20 30 GGEDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000179766982 1429549658 /nfs/dbraw/zinc/54/96/58/1429549658.db2.gz FTMAWMLHAKXFQG-UHFFFAOYSA-N 1 1 393.487 3.269 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1Cl ZINC000153079841 1422349804 /nfs/dbraw/zinc/34/98/04/1422349804.db2.gz LLCSRLHDHVMBRM-VQIMIIECSA-N 1 1 375.900 3.396 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153189129 1422387104 /nfs/dbraw/zinc/38/71/04/1422387104.db2.gz HMNXUCWGBMVSHC-KRWDZBQOSA-N 1 1 389.565 3.128 20 30 GGEDMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153265947 1422429121 /nfs/dbraw/zinc/42/91/21/1422429121.db2.gz HRPLDBKHPMDHRL-SNVBAGLBSA-N 1 1 395.294 3.062 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1C#N ZINC000153271931 1422431455 /nfs/dbraw/zinc/43/14/55/1422431455.db2.gz UDSMWXIPZYBGDR-UZLBHIALSA-N 1 1 394.519 3.199 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1C#N ZINC000153271931 1422431463 /nfs/dbraw/zinc/43/14/63/1422431463.db2.gz UDSMWXIPZYBGDR-UZLBHIALSA-N 1 1 394.519 3.199 20 30 GGEDMO CN(C)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000153295197 1422448165 /nfs/dbraw/zinc/44/81/65/1422448165.db2.gz RRPYCWQWFXEZFV-UHFFFAOYSA-N 1 1 380.467 3.111 20 30 GGEDMO CN(C)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000153295197 1422448174 /nfs/dbraw/zinc/44/81/74/1422448174.db2.gz RRPYCWQWFXEZFV-UHFFFAOYSA-N 1 1 380.467 3.111 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000153296620 1422450199 /nfs/dbraw/zinc/45/01/99/1422450199.db2.gz MNZFBQRPQLXFIT-UHFFFAOYSA-N 1 1 388.475 3.180 20 30 GGEDMO COc1cc(/C=C/C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1OCC#N ZINC000153376567 1422504619 /nfs/dbraw/zinc/50/46/19/1422504619.db2.gz WLBLKFXDYHCVMZ-QKHICEAHSA-N 1 1 395.503 3.086 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153598564 1422640901 /nfs/dbraw/zinc/64/09/01/1422640901.db2.gz LDDFYPVRCIZNEJ-HSZRJFAPSA-N 1 1 392.503 3.076 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153598564 1422640905 /nfs/dbraw/zinc/64/09/05/1422640905.db2.gz LDDFYPVRCIZNEJ-HSZRJFAPSA-N 1 1 392.503 3.076 20 30 GGEDMO C[C@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000153612765 1422648103 /nfs/dbraw/zinc/64/81/03/1422648103.db2.gz PKEMXCYXHSLEMS-WQEJZQBCSA-N 1 1 389.402 3.179 20 30 GGEDMO C[C@@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(F)ccc1F ZINC000153613075 1422649028 /nfs/dbraw/zinc/64/90/28/1422649028.db2.gz GQHAJISRXWVUDD-JMKVTYIUSA-N 1 1 389.402 3.179 20 30 GGEDMO C=CCn1c(Cc2ccccc2)nn(CN2CC[N@H+](C)C[C@@H]2C(C)C)c1=S ZINC000153627183 1422658486 /nfs/dbraw/zinc/65/84/86/1422658486.db2.gz KKNCQBALAKGNEQ-LJQANCHMSA-N 1 1 385.581 3.420 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153685485 1422701868 /nfs/dbraw/zinc/70/18/68/1422701868.db2.gz HPQGTGKOAWEYKH-JOCHJYFZSA-N 1 1 396.491 3.059 20 30 GGEDMO COC(=O)[C@@H](C)C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000153755555 1422739119 /nfs/dbraw/zinc/73/91/19/1422739119.db2.gz LBPSSNDYVBQDRV-ZDUSSCGKSA-N 1 1 389.521 3.101 20 30 GGEDMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000153755555 1422739131 /nfs/dbraw/zinc/73/91/31/1422739131.db2.gz LBPSSNDYVBQDRV-ZDUSSCGKSA-N 1 1 389.521 3.101 20 30 GGEDMO O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153945235 1422815013 /nfs/dbraw/zinc/81/50/13/1422815013.db2.gz RANUEJIBFQXDOP-IBGZPJMESA-N 1 1 387.405 3.405 20 30 GGEDMO O=C(C[N@H+]1CCC[C@H]1c1ccncc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153945235 1422815015 /nfs/dbraw/zinc/81/50/15/1422815015.db2.gz RANUEJIBFQXDOP-IBGZPJMESA-N 1 1 387.405 3.405 20 30 GGEDMO Cc1csc(CCCCN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])n1 ZINC000153991909 1422822097 /nfs/dbraw/zinc/82/20/97/1422822097.db2.gz FGGIUZKRADVOLJ-UHFFFAOYSA-N 1 1 395.532 3.434 20 30 GGEDMO C[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)C[NH+]1CCOCC1 ZINC000154002032 1422823813 /nfs/dbraw/zinc/82/38/13/1422823813.db2.gz UHGUBZKCDAMIMU-HOTGVXAUSA-N 1 1 376.526 3.171 20 30 GGEDMO C[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)C[NH+]1CCOCC1 ZINC000154001847 1422823974 /nfs/dbraw/zinc/82/39/74/1422823974.db2.gz UHGUBZKCDAMIMU-CVEARBPZSA-N 1 1 376.526 3.171 20 30 GGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000154488604 1422895827 /nfs/dbraw/zinc/89/58/27/1422895827.db2.gz TXHHYZGITKMRFM-UHFFFAOYSA-N 1 1 398.894 3.307 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cn1 ZINC000154572106 1422938141 /nfs/dbraw/zinc/93/81/41/1422938141.db2.gz XZQXZJWESOOESR-OAQYLSRUSA-N 1 1 389.459 3.167 20 30 GGEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000154735781 1423015348 /nfs/dbraw/zinc/01/53/48/1423015348.db2.gz UHYCGDMVONSDHH-GOSISDBHSA-N 1 1 384.524 3.295 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000154735071 1423015643 /nfs/dbraw/zinc/01/56/43/1423015643.db2.gz UXBYPPQLDLWKDN-GOSISDBHSA-N 1 1 384.524 3.438 20 30 GGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000154804728 1423040045 /nfs/dbraw/zinc/04/00/45/1423040045.db2.gz DKPCXTPUVYWIFV-KRWDZBQOSA-N 1 1 384.524 3.294 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)CC2)cc1 ZINC000154916246 1423079497 /nfs/dbraw/zinc/07/94/97/1423079497.db2.gz JXFIAGRUBDOADL-YTFSRNRJSA-N 1 1 386.499 3.114 20 30 GGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155114534 1423175512 /nfs/dbraw/zinc/17/55/12/1423175512.db2.gz GTRZQERMEYCDHH-KRWDZBQOSA-N 1 1 375.513 3.005 20 30 GGEDMO COc1cc(N[C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000155201125 1423241378 /nfs/dbraw/zinc/24/13/78/1423241378.db2.gz BZOPYRFNPLPVBF-SFHVURJKSA-N 1 1 394.475 3.090 20 30 GGEDMO COc1cc(N[C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000155201125 1423241394 /nfs/dbraw/zinc/24/13/94/1423241394.db2.gz BZOPYRFNPLPVBF-SFHVURJKSA-N 1 1 394.475 3.090 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cc1C ZINC000155205751 1423243863 /nfs/dbraw/zinc/24/38/63/1423243863.db2.gz DJVALZIHLUFSOY-UHFFFAOYSA-N 1 1 398.551 3.225 20 30 GGEDMO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000155328228 1423318832 /nfs/dbraw/zinc/31/88/32/1423318832.db2.gz TZQMFCAXLAHZHX-LPHOPBHVSA-N 1 1 380.517 3.300 20 30 GGEDMO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000155328228 1423318843 /nfs/dbraw/zinc/31/88/43/1423318843.db2.gz TZQMFCAXLAHZHX-LPHOPBHVSA-N 1 1 380.517 3.300 20 30 GGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000155369776 1423337319 /nfs/dbraw/zinc/33/73/19/1423337319.db2.gz RSFYGQMBFQRDCS-CQSZACIVSA-N 1 1 390.915 3.167 20 30 GGEDMO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1cc(C#N)ccc1F ZINC000155400397 1423349080 /nfs/dbraw/zinc/34/90/80/1423349080.db2.gz NHJWGMJJIQCROV-UHFFFAOYSA-N 1 1 378.407 3.491 20 30 GGEDMO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1cc(C#N)ccc1F ZINC000155400397 1423349099 /nfs/dbraw/zinc/34/90/99/1423349099.db2.gz NHJWGMJJIQCROV-UHFFFAOYSA-N 1 1 378.407 3.491 20 30 GGEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000155433902 1423362359 /nfs/dbraw/zinc/36/23/59/1423362359.db2.gz KVAHAKCWMKLZJM-JOCHJYFZSA-N 1 1 375.472 3.148 20 30 GGEDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000155452032 1423370110 /nfs/dbraw/zinc/37/01/10/1423370110.db2.gz DBXUCQYEOLPUBH-UHFFFAOYSA-N 1 1 392.931 3.117 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1C ZINC000155451680 1423370364 /nfs/dbraw/zinc/37/03/64/1423370364.db2.gz LXQNYMWMEUXPBX-UHFFFAOYSA-N 1 1 386.540 3.081 20 30 GGEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000155489322 1423383567 /nfs/dbraw/zinc/38/35/67/1423383567.db2.gz LFODXWAXXVZIIQ-SCTDSRPQSA-N 1 1 382.460 3.199 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000155489322 1423383578 /nfs/dbraw/zinc/38/35/78/1423383578.db2.gz LFODXWAXXVZIIQ-SCTDSRPQSA-N 1 1 382.460 3.199 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1C#N ZINC000155493496 1423385124 /nfs/dbraw/zinc/38/51/24/1423385124.db2.gz TZLONOHLFZDXRX-NQIIRXRSSA-N 1 1 392.503 3.405 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1C#N ZINC000155493496 1423385134 /nfs/dbraw/zinc/38/51/34/1423385134.db2.gz TZLONOHLFZDXRX-NQIIRXRSSA-N 1 1 392.503 3.405 20 30 GGEDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000155530960 1423402594 /nfs/dbraw/zinc/40/25/94/1423402594.db2.gz AGCQKZFOGOQQTM-FQEVSTJZSA-N 1 1 377.488 3.485 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179915948 1429639416 /nfs/dbraw/zinc/63/94/16/1429639416.db2.gz UFIPWQXQZDSMIO-GOSISDBHSA-N 1 1 381.480 3.058 20 30 GGEDMO COc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H](CO)C(C)C)cc1 ZINC000179922968 1429642814 /nfs/dbraw/zinc/64/28/14/1429642814.db2.gz WYUDLAVYGYXYFJ-JOCHJYFZSA-N 1 1 395.503 3.415 20 30 GGEDMO N#Cc1ccc(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000155674857 1423481847 /nfs/dbraw/zinc/48/18/47/1423481847.db2.gz CXPQCTYIOGBPTQ-QGZVFWFLSA-N 1 1 396.878 3.161 20 30 GGEDMO COc1cc(C)ccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000155946038 1423604752 /nfs/dbraw/zinc/60/47/52/1423604752.db2.gz CIQFHQZZDCIADD-UHFFFAOYSA-N 1 1 392.503 3.293 20 30 GGEDMO C[NH+]1CCN(CCCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000156064348 1423657258 /nfs/dbraw/zinc/65/72/58/1423657258.db2.gz ATUPXQPNPQTNIH-UHFFFAOYSA-N 1 1 391.519 3.059 20 30 GGEDMO CC[C@H](NC(=O)NCc1cccc(C#N)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156124301 1423683155 /nfs/dbraw/zinc/68/31/55/1423683155.db2.gz RCVVGFNIDDQGRL-FCHUYYIVSA-N 1 1 392.503 3.037 20 30 GGEDMO CC[C@H](NC(=O)NCc1cccc(C#N)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156124301 1423683162 /nfs/dbraw/zinc/68/31/62/1423683162.db2.gz RCVVGFNIDDQGRL-FCHUYYIVSA-N 1 1 392.503 3.037 20 30 GGEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC(CO)CC1 ZINC000156261972 1423748377 /nfs/dbraw/zinc/74/83/77/1423748377.db2.gz AWEOMYSREWSGJF-UHFFFAOYSA-N 1 1 375.538 3.310 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156402057 1423805749 /nfs/dbraw/zinc/80/57/49/1423805749.db2.gz XVSDFJFLRIWKIY-NRFANRHFSA-N 1 1 378.476 3.098 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000156402057 1423805751 /nfs/dbraw/zinc/80/57/51/1423805751.db2.gz XVSDFJFLRIWKIY-NRFANRHFSA-N 1 1 378.476 3.098 20 30 GGEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000156640456 1423839522 /nfs/dbraw/zinc/83/95/22/1423839522.db2.gz XYKIAEODMLHLNX-FQEVSTJZSA-N 1 1 377.488 3.469 20 30 GGEDMO N#Cc1ccccc1CN(C1CC1)S(=O)(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000156726482 1423854859 /nfs/dbraw/zinc/85/48/59/1423854859.db2.gz ZRHISCSYHRJJLO-QFIPXVFZSA-N 1 1 395.528 3.127 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000156840482 1423873561 /nfs/dbraw/zinc/87/35/61/1423873561.db2.gz NDERRRUNGSSWKL-INIZCTEOSA-N 1 1 393.491 3.014 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000156840482 1423873571 /nfs/dbraw/zinc/87/35/71/1423873571.db2.gz NDERRRUNGSSWKL-INIZCTEOSA-N 1 1 393.491 3.014 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000156842105 1423873683 /nfs/dbraw/zinc/87/36/83/1423873683.db2.gz YYPBFHQERWDSFV-CQSZACIVSA-N 1 1 391.397 3.000 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000156842105 1423873686 /nfs/dbraw/zinc/87/36/86/1423873686.db2.gz YYPBFHQERWDSFV-CQSZACIVSA-N 1 1 391.397 3.000 20 30 GGEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)ccc1O ZINC000156846477 1423874698 /nfs/dbraw/zinc/87/46/98/1423874698.db2.gz HYEBYWWRUXDBQI-QGZVFWFLSA-N 1 1 381.476 3.476 20 30 GGEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)ccc1O ZINC000156846477 1423874700 /nfs/dbraw/zinc/87/47/00/1423874700.db2.gz HYEBYWWRUXDBQI-QGZVFWFLSA-N 1 1 381.476 3.476 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCOC4(CCCC4)C3)CC2)cc1 ZINC000156895678 1423882059 /nfs/dbraw/zinc/88/20/59/1423882059.db2.gz YYLZHVUJFUCSLO-OAQYLSRUSA-N 1 1 396.535 3.267 20 30 GGEDMO C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000156920932 1423885967 /nfs/dbraw/zinc/88/59/67/1423885967.db2.gz LEDDAXIMSVXUJK-VLIAUNLRSA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156920932 1423885972 /nfs/dbraw/zinc/88/59/72/1423885972.db2.gz LEDDAXIMSVXUJK-VLIAUNLRSA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000156921236 1423886388 /nfs/dbraw/zinc/88/63/88/1423886388.db2.gz LEDDAXIMSVXUJK-JLTOFOAXSA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000156921236 1423886392 /nfs/dbraw/zinc/88/63/92/1423886392.db2.gz LEDDAXIMSVXUJK-JLTOFOAXSA-N 1 1 399.878 3.453 20 30 GGEDMO N#Cc1ccc(NCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000156953323 1423892593 /nfs/dbraw/zinc/89/25/93/1423892593.db2.gz VMZPNYDMUZPCIO-GGAORHGYSA-N 1 1 388.515 3.483 20 30 GGEDMO Cc1cccc(CCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000157010226 1423902641 /nfs/dbraw/zinc/90/26/41/1423902641.db2.gz FNTZWJPCLQNPPK-UHFFFAOYSA-N 1 1 376.504 3.327 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000157339930 1423988537 /nfs/dbraw/zinc/98/85/37/1423988537.db2.gz MNSLWIMTZRWSCM-FXAWDEMLSA-N 1 1 382.508 3.083 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000157340077 1423988625 /nfs/dbraw/zinc/98/86/25/1423988625.db2.gz MNSLWIMTZRWSCM-PXNSSMCTSA-N 1 1 382.508 3.083 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000157349967 1423991941 /nfs/dbraw/zinc/99/19/41/1423991941.db2.gz MBLYQSCZQPTQSO-MRXNPFEDSA-N 1 1 377.448 3.219 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000157399645 1424003149 /nfs/dbraw/zinc/00/31/49/1424003149.db2.gz VDTAYMADKVPQOS-SFHVURJKSA-N 1 1 395.507 3.143 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000157399795 1424003498 /nfs/dbraw/zinc/00/34/98/1424003498.db2.gz VDTAYMADKVPQOS-GOSISDBHSA-N 1 1 395.507 3.143 20 30 GGEDMO C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000157441852 1424011547 /nfs/dbraw/zinc/01/15/47/1424011547.db2.gz OTBBFYLKPFWWAN-HNAYVOBHSA-N 1 1 381.501 3.158 20 30 GGEDMO C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000157441852 1424011553 /nfs/dbraw/zinc/01/15/53/1424011553.db2.gz OTBBFYLKPFWWAN-HNAYVOBHSA-N 1 1 381.501 3.158 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157470119 1424018256 /nfs/dbraw/zinc/01/82/56/1424018256.db2.gz KAADLHIVCYKCHS-GOSISDBHSA-N 1 1 399.535 3.449 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000157535960 1424032146 /nfs/dbraw/zinc/03/21/46/1424032146.db2.gz GJKOHEXQHGBEGC-UHFFFAOYSA-N 1 1 381.476 3.441 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000157535960 1424032155 /nfs/dbraw/zinc/03/21/55/1424032155.db2.gz GJKOHEXQHGBEGC-UHFFFAOYSA-N 1 1 381.476 3.441 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180015529 1429693033 /nfs/dbraw/zinc/69/30/33/1429693033.db2.gz TUGIDIRTIMLFDH-QGZVFWFLSA-N 1 1 395.507 3.305 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000157561249 1424038040 /nfs/dbraw/zinc/03/80/40/1424038040.db2.gz MGQDKDHPJJTNSN-HOTGVXAUSA-N 1 1 395.956 3.487 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157706527 1424069625 /nfs/dbraw/zinc/06/96/25/1424069625.db2.gz CHJIIHWVDXAPIM-GOSISDBHSA-N 1 1 396.535 3.308 20 30 GGEDMO C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000157972747 1424132278 /nfs/dbraw/zinc/13/22/78/1424132278.db2.gz ZIPAJTJAKMJZFN-VLIAUNLRSA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157972747 1424132280 /nfs/dbraw/zinc/13/22/80/1424132280.db2.gz ZIPAJTJAKMJZFN-VLIAUNLRSA-N 1 1 399.878 3.453 20 30 GGEDMO NC(=[NH+]OCc1cccc(C(=O)N2CCCCC2)c1)c1ccc2c(c1)CCO2 ZINC000158203954 1424194133 /nfs/dbraw/zinc/19/41/33/1424194133.db2.gz UPWAVKHIRRVDHI-UHFFFAOYSA-N 1 1 379.460 3.085 20 30 GGEDMO CCc1[nH+]ccn1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000158334581 1424229200 /nfs/dbraw/zinc/22/92/00/1424229200.db2.gz CVKGWJMXHPAIOE-UHFFFAOYSA-N 1 1 377.448 3.372 20 30 GGEDMO CCC(CC)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000180043166 1429710726 /nfs/dbraw/zinc/71/07/26/1429710726.db2.gz LHYDLFPDSCVTNW-QFBILLFUSA-N 1 1 388.512 3.236 20 30 GGEDMO CCC(CC)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000180043181 1429710768 /nfs/dbraw/zinc/71/07/68/1429710768.db2.gz LHYDLFPDSCVTNW-LPHOPBHVSA-N 1 1 388.512 3.236 20 30 GGEDMO C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000159242136 1424455813 /nfs/dbraw/zinc/45/58/13/1424455813.db2.gz SOVMAUCETYKDIT-YWZLYKJASA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000159242136 1424455832 /nfs/dbraw/zinc/45/58/32/1424455832.db2.gz SOVMAUCETYKDIT-YWZLYKJASA-N 1 1 380.448 3.191 20 30 GGEDMO C=C[C@@H](CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000159271613 1424466821 /nfs/dbraw/zinc/46/68/21/1424466821.db2.gz IVGGDGUCTNVNNY-SFHVURJKSA-N 1 1 377.488 3.373 20 30 GGEDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3OCC#N)CC2)cs1 ZINC000159522725 1424510774 /nfs/dbraw/zinc/51/07/74/1424510774.db2.gz WTJKQCWUFVDZMQ-UHFFFAOYSA-N 1 1 388.468 3.344 20 30 GGEDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000160006782 1424561450 /nfs/dbraw/zinc/56/14/50/1424561450.db2.gz FJHZTIKGNISUKN-XMSQKQJNSA-N 1 1 397.544 3.373 20 30 GGEDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000160001149 1424562001 /nfs/dbraw/zinc/56/20/01/1424562001.db2.gz IDIVINUULRZONI-FXAWDEMLSA-N 1 1 383.517 3.232 20 30 GGEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000160001403 1424562031 /nfs/dbraw/zinc/56/20/31/1424562031.db2.gz IDIVINUULRZONI-PXNSSMCTSA-N 1 1 383.517 3.232 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000160082853 1424572419 /nfs/dbraw/zinc/57/24/19/1424572419.db2.gz BCLHAOIELSKIFY-UHFFFAOYSA-N 1 1 396.878 3.128 20 30 GGEDMO C[N@@H+](CCN1CCN(CC#Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000160119432 1424577190 /nfs/dbraw/zinc/57/71/90/1424577190.db2.gz KSGRPJVVNWUROD-UHFFFAOYSA-N 1 1 381.951 3.441 20 30 GGEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000160737815 1424630820 /nfs/dbraw/zinc/63/08/20/1424630820.db2.gz GNHVRBZIHKXMDY-YHELAOLJSA-N 1 1 384.524 3.315 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000160737815 1424630825 /nfs/dbraw/zinc/63/08/25/1424630825.db2.gz 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CCCn1cc(C[N@H+]2CCCN(c3nc4c(cc3C#N)CCCC4)CC2)cn1 ZINC000161269273 1424671858 /nfs/dbraw/zinc/67/18/58/1424671858.db2.gz FOHBQSUJRPJGCU-UHFFFAOYSA-N 1 1 378.524 3.151 20 30 GGEDMO C=C(C)COCCNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000161288722 1424674128 /nfs/dbraw/zinc/67/41/28/1424674128.db2.gz QBQRKQZSGQZDSX-UHFFFAOYSA-N 1 1 387.524 3.099 20 30 GGEDMO C#CCOc1ccc(NC(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)cc1 ZINC000161537904 1424703723 /nfs/dbraw/zinc/70/37/23/1424703723.db2.gz YNWIFSVNXBGTQS-UHFFFAOYSA-N 1 1 387.524 3.301 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CNc1ccc(C#N)cc1 ZINC000161592304 1424719695 /nfs/dbraw/zinc/71/96/95/1424719695.db2.gz WMRXNJCVGOUPRV-NRFANRHFSA-N 1 1 392.503 3.189 20 30 GGEDMO COc1cc(F)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000161678412 1424739023 /nfs/dbraw/zinc/73/90/23/1424739023.db2.gz TUAFYHDYYAVTKY-UHFFFAOYSA-N 1 1 397.450 3.063 20 30 GGEDMO COc1cc(F)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000161678412 1424739031 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C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccn(CCC#N)n3)cc2)C1 ZINC000173354938 1426530820 /nfs/dbraw/zinc/53/08/20/1426530820.db2.gz DKCRTMGIPWRNTL-KRWDZBQOSA-N 1 1 380.496 3.350 20 30 GGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000173387399 1426564771 /nfs/dbraw/zinc/56/47/71/1426564771.db2.gz JXRTZTYPUWBEQD-LJQANCHMSA-N 1 1 381.501 3.223 20 30 GGEDMO N#CCSc1ccccc1NC(=O)C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000173387399 1426564793 /nfs/dbraw/zinc/56/47/93/1426564793.db2.gz JXRTZTYPUWBEQD-LJQANCHMSA-N 1 1 381.501 3.223 20 30 GGEDMO C=CCn1c(-c2ccco2)nn(CN2CC[C@H](C[N@H+](C)CCC)C2)c1=S ZINC000173445582 1426625167 /nfs/dbraw/zinc/62/51/67/1426625167.db2.gz WOKJZVONLZSCJR-MRXNPFEDSA-N 1 1 375.542 3.481 20 30 GGEDMO N#Cc1ccc(-c2nnc(CN3CCC[N@H+](Cc4ccc(F)cc4)CC3)o2)cc1 ZINC000173469553 1426644295 /nfs/dbraw/zinc/64/42/95/1426644295.db2.gz BKXXQEADQQKZMY-UHFFFAOYSA-N 1 1 391.450 3.455 20 30 GGEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000173479681 1426653559 /nfs/dbraw/zinc/65/35/59/1426653559.db2.gz HJUQQFRZUWBCRM-UHFFFAOYSA-N 1 1 389.459 3.077 20 30 GGEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000173479681 1426653564 /nfs/dbraw/zinc/65/35/64/1426653564.db2.gz HJUQQFRZUWBCRM-UHFFFAOYSA-N 1 1 389.459 3.077 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000173516842 1426688526 /nfs/dbraw/zinc/68/85/26/1426688526.db2.gz KYJKNYLAAWGDOI-SFHVURJKSA-N 1 1 393.487 3.069 20 30 GGEDMO COc1ccc(OCC[N@H+]2CCCN(c3ccccc3C#N)CC2)c([N+](=O)[O-])c1 ZINC000173524383 1426697528 /nfs/dbraw/zinc/69/75/28/1426697528.db2.gz SFNTZXCSKOJZTE-UHFFFAOYSA-N 1 1 396.447 3.066 20 30 GGEDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)C1 ZINC000173537001 1426712492 /nfs/dbraw/zinc/71/24/92/1426712492.db2.gz KHSNJFHXKYNEJB-MRXNPFEDSA-N 1 1 393.491 3.079 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173573828 1426741316 /nfs/dbraw/zinc/74/13/16/1426741316.db2.gz HDUBEYRCDPWXQG-CRAIPNDOSA-N 1 1 381.480 3.125 20 30 GGEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173573817 1426741458 /nfs/dbraw/zinc/74/14/58/1426741458.db2.gz HDUBEYRCDPWXQG-YJBOKZPZSA-N 1 1 381.480 3.125 20 30 GGEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000173651783 1426810703 /nfs/dbraw/zinc/81/07/03/1426810703.db2.gz ZOJKDGBXVKKILZ-KRWDZBQOSA-N 1 1 381.442 3.430 20 30 GGEDMO Cc1[nH+]ccn1CCCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000173652092 1426810819 /nfs/dbraw/zinc/81/08/19/1426810819.db2.gz SNJKBEKSYNUQMB-UHFFFAOYSA-N 1 1 378.398 3.341 20 30 GGEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000173651804 1426810950 /nfs/dbraw/zinc/81/09/50/1426810950.db2.gz ZOJKDGBXVKKILZ-QGZVFWFLSA-N 1 1 381.442 3.430 20 30 GGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000173871204 1426877142 /nfs/dbraw/zinc/87/71/42/1426877142.db2.gz GKDCVZWFXWRDIJ-ROUUACIJSA-N 1 1 383.521 3.288 20 30 GGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000173871235 1426877215 /nfs/dbraw/zinc/87/72/15/1426877215.db2.gz GKDCVZWFXWRDIJ-MSOLQXFVSA-N 1 1 383.521 3.288 20 30 GGEDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000173900508 1426884979 /nfs/dbraw/zinc/88/49/79/1426884979.db2.gz QEXSIRDERRSUNV-IBGZPJMESA-N 1 1 393.535 3.178 20 30 GGEDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000173922464 1426893203 /nfs/dbraw/zinc/89/32/03/1426893203.db2.gz NCPCPJJXQRMXFQ-QGZVFWFLSA-N 1 1 376.932 3.169 20 30 GGEDMO CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000173947486 1426905031 /nfs/dbraw/zinc/90/50/31/1426905031.db2.gz PQBQMNBIVVUELK-GOSISDBHSA-N 1 1 376.932 3.393 20 30 GGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000173947501 1426905063 /nfs/dbraw/zinc/90/50/63/1426905063.db2.gz PQBQMNBIVVUELK-SFHVURJKSA-N 1 1 376.932 3.393 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CCN(c2ccccn2)CC1 ZINC000173972299 1426917676 /nfs/dbraw/zinc/91/76/76/1426917676.db2.gz HOEQJSIZZJVVNI-UHFFFAOYSA-N 1 1 377.492 3.130 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977231 1426921274 /nfs/dbraw/zinc/92/12/74/1426921274.db2.gz DWDXILPHXSGMJH-CTNGQTDRSA-N 1 1 382.552 3.171 20 30 GGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1)c1ccccc1 ZINC000173984437 1426927227 /nfs/dbraw/zinc/92/72/27/1426927227.db2.gz WPYZDYSVLYRYQK-OAQYLSRUSA-N 1 1 377.488 3.472 20 30 GGEDMO CC(C)[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000174088598 1426996263 /nfs/dbraw/zinc/99/62/63/1426996263.db2.gz VQUMOVNLTMERJM-INIZCTEOSA-N 1 1 384.402 3.055 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1C#N ZINC000174124063 1427011548 /nfs/dbraw/zinc/01/15/48/1427011548.db2.gz JKJDSFAVZBCAAD-SFHVURJKSA-N 1 1 392.503 3.405 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@H]2CCO)c1C#N ZINC000174157908 1427025550 /nfs/dbraw/zinc/02/55/50/1427025550.db2.gz HGTGDGDWOUXLHP-SFHVURJKSA-N 1 1 380.492 3.141 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@H]2CCO)c1C#N ZINC000174157908 1427025556 /nfs/dbraw/zinc/02/55/56/1427025556.db2.gz HGTGDGDWOUXLHP-SFHVURJKSA-N 1 1 380.492 3.141 20 30 GGEDMO COc1ccc(C[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000174257257 1427072730 /nfs/dbraw/zinc/07/27/30/1427072730.db2.gz HDIQXKABLDBRKS-HDICACEKSA-N 1 1 379.504 3.466 20 30 GGEDMO CN(C[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N)C(=O)OC(C)(C)C ZINC000174286943 1427085870 /nfs/dbraw/zinc/08/58/70/1427085870.db2.gz JLBATIMHKOUKAN-OAHLLOKOSA-N 1 1 392.525 3.280 20 30 GGEDMO COc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1C#N ZINC000174352541 1427116131 /nfs/dbraw/zinc/11/61/31/1427116131.db2.gz QNNNOPKMCVFKAV-MRXNPFEDSA-N 1 1 382.483 3.309 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(CCC#N)CC(F)(F)F)cc2)C[C@H](C)O1 ZINC000174441230 1427157395 /nfs/dbraw/zinc/15/73/95/1427157395.db2.gz WOJRPZPZVXDHFS-GJZGRUSLSA-N 1 1 383.414 3.214 20 30 GGEDMO CC[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[N@H+]1C[C@@H](C)O ZINC000174733553 1427338248 /nfs/dbraw/zinc/33/82/48/1427338248.db2.gz YFZTXUYGIRPKEJ-TZMCWYRMSA-N 1 1 376.863 3.180 20 30 GGEDMO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000174861066 1427413627 /nfs/dbraw/zinc/41/36/27/1427413627.db2.gz VNFNIDHMYAOAKB-JOCHJYFZSA-N 1 1 391.471 3.412 20 30 GGEDMO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000174861066 1427413634 /nfs/dbraw/zinc/41/36/34/1427413634.db2.gz VNFNIDHMYAOAKB-JOCHJYFZSA-N 1 1 391.471 3.412 20 30 GGEDMO CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000174885267 1427427661 /nfs/dbraw/zinc/42/76/61/1427427661.db2.gz OEWZLEQKEFDNHG-UHFFFAOYSA-N 1 1 384.402 3.152 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000174935855 1427453609 /nfs/dbraw/zinc/45/36/09/1427453609.db2.gz IEGHHCLUCKTZJM-OAQYLSRUSA-N 1 1 377.488 3.112 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@]34CCc3ccccc34)CC2)cc1 ZINC000175087117 1427539188 /nfs/dbraw/zinc/53/91/88/1427539188.db2.gz CPFGQTMZGSLJLG-NOZRDPDXSA-N 1 1 385.511 3.497 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@]34CCc3ccccc34)CC2)cc1 ZINC000175087117 1427539192 /nfs/dbraw/zinc/53/91/92/1427539192.db2.gz CPFGQTMZGSLJLG-NOZRDPDXSA-N 1 1 385.511 3.497 20 30 GGEDMO N#Cc1c[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000175153509 1427571032 /nfs/dbraw/zinc/57/10/32/1427571032.db2.gz KGKKPVSCCDANBP-UHFFFAOYSA-N 1 1 376.382 3.253 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175170078 1427579928 /nfs/dbraw/zinc/57/99/28/1427579928.db2.gz WZOMRYUURONCBM-FQEVSTJZSA-N 1 1 390.487 3.171 20 30 GGEDMO COc1ccc([C@H](CO)[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1 ZINC000175230897 1427615196 /nfs/dbraw/zinc/61/51/96/1427615196.db2.gz VBZFIVULZOPKMW-QFIPXVFZSA-N 1 1 395.503 3.224 20 30 GGEDMO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1 ZINC000175230897 1427615201 /nfs/dbraw/zinc/61/52/01/1427615201.db2.gz VBZFIVULZOPKMW-QFIPXVFZSA-N 1 1 395.503 3.224 20 30 GGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000175265995 1427634922 /nfs/dbraw/zinc/63/49/22/1427634922.db2.gz BSNKDGZVWJLRNA-DYESRHJHSA-N 1 1 388.471 3.158 20 30 GGEDMO C[C@H](CCNC(=O)NCc1ccc(OCC#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000175450311 1427760781 /nfs/dbraw/zinc/76/07/81/1427760781.db2.gz LPZMVGHEGJYGSI-GOSISDBHSA-N 1 1 380.492 3.299 20 30 GGEDMO C[C@@H](CCNC(=O)NCc1ccc(OCC#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000175450293 1427761038 /nfs/dbraw/zinc/76/10/38/1427761038.db2.gz LPZMVGHEGJYGSI-SFHVURJKSA-N 1 1 380.492 3.299 20 30 GGEDMO COC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(C)o1 ZINC000175661917 1427848441 /nfs/dbraw/zinc/84/84/41/1427848441.db2.gz DUPCLBZMCISPFJ-FQEVSTJZSA-N 1 1 396.491 3.065 20 30 GGEDMO CCO[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000175667831 1427850687 /nfs/dbraw/zinc/85/06/87/1427850687.db2.gz HTLKVGCDODXLQP-LEWJYISDSA-N 1 1 396.535 3.123 20 30 GGEDMO CCO[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000175667888 1427850822 /nfs/dbraw/zinc/85/08/22/1427850822.db2.gz HTLKVGCDODXLQP-RTWAWAEBSA-N 1 1 396.535 3.123 20 30 GGEDMO C[S@@](=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000175732940 1427872831 /nfs/dbraw/zinc/87/28/31/1427872831.db2.gz DKZICXBHKIKGBC-MUUNZHRXSA-N 1 1 396.516 3.035 20 30 GGEDMO CC[NH+](CC)CCCNC(=O)C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000175747451 1427877415 /nfs/dbraw/zinc/87/74/15/1427877415.db2.gz IYLPBEOIZCKWIF-UHFFFAOYSA-N 1 1 389.971 3.252 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175845282 1427926548 /nfs/dbraw/zinc/92/65/48/1427926548.db2.gz QLDHVOJIASTUAE-YLJYHZDGSA-N 1 1 383.517 3.198 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175861992 1427938277 /nfs/dbraw/zinc/93/82/77/1427938277.db2.gz TUNQWGGQSJLBJX-KURKYZTESA-N 1 1 377.554 3.424 20 30 GGEDMO Cc1cccc2nc(CCC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)[nH]c21 ZINC000175911817 1427966457 /nfs/dbraw/zinc/96/64/57/1427966457.db2.gz JIWQZOSHBPKHQD-UHFFFAOYSA-N 1 1 389.503 3.266 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000175955877 1427995702 /nfs/dbraw/zinc/99/57/02/1427995702.db2.gz YACGLFXLCWHFBH-JTHBVZDNSA-N 1 1 380.488 3.022 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000175955894 1427995728 /nfs/dbraw/zinc/99/57/28/1427995728.db2.gz YACGLFXLCWHFBH-GMAHTHKFSA-N 1 1 380.488 3.022 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175991623 1428016745 /nfs/dbraw/zinc/01/67/45/1428016745.db2.gz OWQXQBCCEDUAIR-QFIPXVFZSA-N 1 1 395.478 3.337 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000175991623 1428016750 /nfs/dbraw/zinc/01/67/50/1428016750.db2.gz OWQXQBCCEDUAIR-QFIPXVFZSA-N 1 1 395.478 3.337 20 30 GGEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000176051595 1428051534 /nfs/dbraw/zinc/05/15/34/1428051534.db2.gz CHHAYEZYOOUEKT-QGZVFWFLSA-N 1 1 381.442 3.477 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176119931 1428094931 /nfs/dbraw/zinc/09/49/31/1428094931.db2.gz OPFYWCPQBISUFI-GHTZIAJQSA-N 1 1 377.488 3.301 20 30 GGEDMO Cc1nc(N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)sc1C ZINC000180205903 1429801544 /nfs/dbraw/zinc/80/15/44/1429801544.db2.gz YCFPHOBLAJQSJA-UHFFFAOYSA-N 1 1 392.532 3.354 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654995 1429959175 /nfs/dbraw/zinc/95/91/75/1429959175.db2.gz ZHIGBSSURSGBOQ-RXVVDRJESA-N 1 1 398.507 3.057 20 30 GGEDMO N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000180711608 1429993640 /nfs/dbraw/zinc/99/36/40/1429993640.db2.gz WGNPMUFMJFNANL-HSZRJFAPSA-N 1 1 389.499 3.485 20 30 GGEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000180898622 1430096795 /nfs/dbraw/zinc/09/67/95/1430096795.db2.gz SLUOGSLXYATPDG-KRWDZBQOSA-N 1 1 392.503 3.063 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc1Cl ZINC000180948170 1430130211 /nfs/dbraw/zinc/13/02/11/1430130211.db2.gz CAIDQIKDLZUGRC-MRXNPFEDSA-N 1 1 387.892 3.385 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2ccc(NCc3ccc(O[C@@H](C)C#N)cc3)cc2)CC1 ZINC000181009397 1430164859 /nfs/dbraw/zinc/16/48/59/1430164859.db2.gz NPACWFFKONUWQT-SFHVURJKSA-N 1 1 392.503 3.254 20 30 GGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000181056309 1430189213 /nfs/dbraw/zinc/18/92/13/1430189213.db2.gz NPGHRZRMCUZWMG-QGZVFWFLSA-N 1 1 377.366 3.451 20 30 GGEDMO C=CCNC(=O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000181125161 1430218726 /nfs/dbraw/zinc/21/87/26/1430218726.db2.gz LEAJKJDPVKBQDA-UHFFFAOYSA-N 1 1 375.812 3.432 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H](O)C(F)(F)F ZINC000181293038 1430265259 /nfs/dbraw/zinc/26/52/59/1430265259.db2.gz DRRFUZKDWMDEKA-AWEZNQCLSA-N 1 1 389.443 3.072 20 30 GGEDMO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000181413543 1430292216 /nfs/dbraw/zinc/29/22/16/1430292216.db2.gz XHQILBNEGFCMQB-UHFFFAOYSA-N 1 1 376.504 3.303 20 30 GGEDMO COC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(F)c(F)c1 ZINC000181438252 1430298982 /nfs/dbraw/zinc/29/89/82/1430298982.db2.gz ZYDZDXGVOHJGFM-INIZCTEOSA-N 1 1 379.432 3.431 20 30 GGEDMO COC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(F)c(F)c1 ZINC000181438273 1430298985 /nfs/dbraw/zinc/29/89/85/1430298985.db2.gz ZYDZDXGVOHJGFM-MRXNPFEDSA-N 1 1 379.432 3.431 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181484813 1430308650 /nfs/dbraw/zinc/30/86/50/1430308650.db2.gz ALKIURKKMPGCGT-APWZRJJASA-N 1 1 385.556 3.115 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](Cc3ccccc3)C1)CCC2 ZINC000181534132 1430316675 /nfs/dbraw/zinc/31/66/75/1430316675.db2.gz XNWKLMYTKQBIJK-QGZVFWFLSA-N 1 1 395.528 3.381 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](Cc3ccccc3)C1)CCC2 ZINC000181534132 1430316676 /nfs/dbraw/zinc/31/66/76/1430316676.db2.gz XNWKLMYTKQBIJK-QGZVFWFLSA-N 1 1 395.528 3.381 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(CC(=O)N(C)C)CC2)c1 ZINC000182226614 1430433270 /nfs/dbraw/zinc/43/32/70/1430433270.db2.gz FDMYNIADEFAHFH-LJQANCHMSA-N 1 1 398.551 3.129 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000182284201 1430442463 /nfs/dbraw/zinc/44/24/63/1430442463.db2.gz BTFKUXHBXROSAC-LJQANCHMSA-N 1 1 388.895 3.408 20 30 GGEDMO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1c(C)noc1C ZINC000182486014 1430475632 /nfs/dbraw/zinc/47/56/32/1430475632.db2.gz QGUKPPOMLUVCIX-KRWDZBQOSA-N 1 1 378.436 3.028 20 30 GGEDMO C=CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000182618482 1430503755 /nfs/dbraw/zinc/50/37/55/1430503755.db2.gz DNEAMQJDGSNETG-FQEVSTJZSA-N 1 1 394.544 3.145 20 30 GGEDMO C=CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000182618482 1430503757 /nfs/dbraw/zinc/50/37/57/1430503757.db2.gz DNEAMQJDGSNETG-FQEVSTJZSA-N 1 1 394.544 3.145 20 30 GGEDMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182623061 1430504207 /nfs/dbraw/zinc/50/42/07/1430504207.db2.gz RYGZZKLJGLFLKX-GCJKJVERSA-N 1 1 394.494 3.228 20 30 GGEDMO CCOC(=O)C[C@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000182656222 1430511449 /nfs/dbraw/zinc/51/14/49/1430511449.db2.gz ZNWSMVDLEHNLAL-ZDUSSCGKSA-N 1 1 377.510 3.101 20 30 GGEDMO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000182682869 1430516182 /nfs/dbraw/zinc/51/61/82/1430516182.db2.gz ZPPOQZINLBSKEM-JOCHJYFZSA-N 1 1 388.471 3.070 20 30 GGEDMO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000182682869 1430516184 /nfs/dbraw/zinc/51/61/84/1430516184.db2.gz ZPPOQZINLBSKEM-JOCHJYFZSA-N 1 1 388.471 3.070 20 30 GGEDMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182759551 1430535026 /nfs/dbraw/zinc/53/50/26/1430535026.db2.gz YLGWPKYCOUONRD-VQTJNVASSA-N 1 1 377.492 3.241 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182833476 1430549779 /nfs/dbraw/zinc/54/97/79/1430549779.db2.gz VMIFTOBSDFEVMN-MRXNPFEDSA-N 1 1 391.397 3.439 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182843322 1430551658 /nfs/dbraw/zinc/55/16/58/1430551658.db2.gz BSDPNHUNBHKTJX-GJZGRUSLSA-N 1 1 397.445 3.270 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182843322 1430551665 /nfs/dbraw/zinc/55/16/65/1430551665.db2.gz BSDPNHUNBHKTJX-GJZGRUSLSA-N 1 1 397.445 3.270 20 30 GGEDMO C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182926394 1430573581 /nfs/dbraw/zinc/57/35/81/1430573581.db2.gz GQOHVFKDXJSMJU-AZUAARDMSA-N 1 1 395.551 3.043 20 30 GGEDMO C[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182926449 1430573616 /nfs/dbraw/zinc/57/36/16/1430573616.db2.gz GQOHVFKDXJSMJU-QUCCMNQESA-N 1 1 395.551 3.043 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c1 ZINC000183111544 1430616729 /nfs/dbraw/zinc/61/67/29/1430616729.db2.gz CSWYJDZKYTZVTQ-PIKZIKFNSA-N 1 1 397.544 3.260 20 30 GGEDMO C[C@@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000183121816 1430619865 /nfs/dbraw/zinc/61/98/65/1430619865.db2.gz MBIUUQRZFPFLBL-LQKRRCOGSA-N 1 1 383.517 3.031 20 30 GGEDMO C[C@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183122258 1430620920 /nfs/dbraw/zinc/62/09/20/1430620920.db2.gz UVKVBXLPEZMOMD-RIBRJZDZSA-N 1 1 389.565 3.015 20 30 GGEDMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183162595 1430634558 /nfs/dbraw/zinc/63/45/58/1430634558.db2.gz XIOKVKBKTHYJIS-HOTGVXAUSA-N 1 1 388.562 3.211 20 30 GGEDMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183162595 1430634564 /nfs/dbraw/zinc/63/45/64/1430634564.db2.gz XIOKVKBKTHYJIS-HOTGVXAUSA-N 1 1 388.562 3.211 20 30 GGEDMO C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000183184374 1430642235 /nfs/dbraw/zinc/64/22/35/1430642235.db2.gz MRIXHJJOCATQAO-LZNRXBQRSA-N 1 1 394.544 3.150 20 30 GGEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000183184374 1430642239 /nfs/dbraw/zinc/64/22/39/1430642239.db2.gz MRIXHJJOCATQAO-LZNRXBQRSA-N 1 1 394.544 3.150 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183198062 1430645544 /nfs/dbraw/zinc/64/55/44/1430645544.db2.gz ZQJKWXFYNJVLBV-CYBMUJFWSA-N 1 1 391.397 3.438 20 30 GGEDMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1OC ZINC000183474756 1430720962 /nfs/dbraw/zinc/72/09/62/1430720962.db2.gz QGAOXSBBYGHUAG-AWEZNQCLSA-N 1 1 377.460 3.178 20 30 GGEDMO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)[NH+]2CCCC2)o1 ZINC000183628966 1430758692 /nfs/dbraw/zinc/75/86/92/1430758692.db2.gz VVJKLVRIENDJGX-MRXNPFEDSA-N 1 1 393.896 3.229 20 30 GGEDMO CC(C)Oc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1C#N ZINC000183689489 1430773373 /nfs/dbraw/zinc/77/33/73/1430773373.db2.gz NJYDFWGFUSQWRE-QFIPXVFZSA-N 1 1 393.487 3.482 20 30 GGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183754474 1430787337 /nfs/dbraw/zinc/78/73/37/1430787337.db2.gz VBMRCWQDIJKJQM-IBGZPJMESA-N 1 1 389.565 3.314 20 30 GGEDMO CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183762680 1430788328 /nfs/dbraw/zinc/78/83/28/1430788328.db2.gz YKLYVHHIPLXKST-IBGZPJMESA-N 1 1 380.492 3.303 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183820814 1430800914 /nfs/dbraw/zinc/80/09/14/1430800914.db2.gz AKFHQBYOENXWNG-INIZCTEOSA-N 1 1 376.522 3.378 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183820814 1430800915 /nfs/dbraw/zinc/80/09/15/1430800915.db2.gz AKFHQBYOENXWNG-INIZCTEOSA-N 1 1 376.522 3.378 20 30 GGEDMO CC1([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)OCCO1 ZINC000183874955 1430807506 /nfs/dbraw/zinc/80/75/06/1430807506.db2.gz YGQOYIDHMPNNPF-OAHLLOKOSA-N 1 1 377.872 3.015 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1C ZINC000183894909 1430810090 /nfs/dbraw/zinc/81/00/90/1430810090.db2.gz QEPPQZHJXKLPOU-LJQANCHMSA-N 1 1 385.508 3.025 20 30 GGEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000184297226 1430870015 /nfs/dbraw/zinc/87/00/15/1430870015.db2.gz JQYXYJANNLPUSM-GOSISDBHSA-N 1 1 392.503 3.106 20 30 GGEDMO Cc1ccc([C@@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)[NH+]2CCCC2)o1 ZINC000184298389 1430870339 /nfs/dbraw/zinc/87/03/39/1430870339.db2.gz YUWVBACFULVXSQ-MRXNPFEDSA-N 1 1 393.896 3.229 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1cc(C#N)ccc1F)C1CC1 ZINC000184318821 1430872807 /nfs/dbraw/zinc/87/28/07/1430872807.db2.gz OKDKUWAZQVUVEQ-OAQYLSRUSA-N 1 1 380.467 3.407 20 30 GGEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000184451611 1430889447 /nfs/dbraw/zinc/88/94/47/1430889447.db2.gz GZIJQVHOEIIOTR-RBUKOAKNSA-N 1 1 385.508 3.375 20 30 GGEDMO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000184451611 1430889449 /nfs/dbraw/zinc/88/94/49/1430889449.db2.gz GZIJQVHOEIIOTR-RBUKOAKNSA-N 1 1 385.508 3.375 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000184611934 1430919014 /nfs/dbraw/zinc/91/90/14/1430919014.db2.gz BYHSAMXJBRZIBC-QGZVFWFLSA-N 1 1 388.512 3.360 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000184616974 1430920716 /nfs/dbraw/zinc/92/07/16/1430920716.db2.gz AZVBQTKEYBGYQY-QGZVFWFLSA-N 1 1 396.491 3.225 20 30 GGEDMO C=C(C)[C@@H](NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000184652801 1430931219 /nfs/dbraw/zinc/93/12/19/1430931219.db2.gz ZFBJEPMIXYKTLW-OXQOHEQNSA-N 1 1 394.510 3.155 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000184706881 1430947460 /nfs/dbraw/zinc/94/74/60/1430947460.db2.gz YJURIXUQONWOAC-WBVHZDCISA-N 1 1 395.956 3.487 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000184706902 1430947653 /nfs/dbraw/zinc/94/76/53/1430947653.db2.gz YJURIXUQONWOAC-RDJZCZTQSA-N 1 1 395.956 3.487 20 30 GGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000184841984 1430999693 /nfs/dbraw/zinc/99/96/93/1430999693.db2.gz GCKGYQJBXNYLDJ-JOCHJYFZSA-N 1 1 379.504 3.404 20 30 GGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000184844546 1431000955 /nfs/dbraw/zinc/00/09/55/1431000955.db2.gz DFYRDOXYDSNMMQ-JOCHJYFZSA-N 1 1 379.504 3.404 20 30 GGEDMO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185064771 1431052636 /nfs/dbraw/zinc/05/26/36/1431052636.db2.gz ZIDHHVBCIUELJS-ZDUSSCGKSA-N 1 1 379.395 3.427 20 30 GGEDMO CCC1(CC)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@]1=O ZINC000185240484 1431091946 /nfs/dbraw/zinc/09/19/46/1431091946.db2.gz QZTXLYPHJQXMEI-SANMLTNESA-N 1 1 393.578 3.060 20 30 GGEDMO CCC1(CC)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@]1=O ZINC000185240484 1431091951 /nfs/dbraw/zinc/09/19/51/1431091951.db2.gz QZTXLYPHJQXMEI-SANMLTNESA-N 1 1 393.578 3.060 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)C1CC1 ZINC000185301501 1431105360 /nfs/dbraw/zinc/10/53/60/1431105360.db2.gz SDCQYLDXKSNXOG-QFIPXVFZSA-N 1 1 377.488 3.158 20 30 GGEDMO C[C@@H](c1ccsc1)[NH+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000185497593 1431158240 /nfs/dbraw/zinc/15/82/40/1431158240.db2.gz GNWDBMDFUHMWRC-JXFKEZNVSA-N 1 1 380.517 3.104 20 30 GGEDMO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000185640443 1431192417 /nfs/dbraw/zinc/19/24/17/1431192417.db2.gz ZVEFPBZHURGYIZ-UHFFFAOYSA-N 1 1 385.489 3.006 20 30 GGEDMO C=CCn1c(SCC[N@H+](C)Cc2ccc(F)cc2)nnc1-c1cnccn1 ZINC000185695577 1431208403 /nfs/dbraw/zinc/20/84/03/1431208403.db2.gz WCWPQFWSSZFBSU-UHFFFAOYSA-N 1 1 384.484 3.284 20 30 GGEDMO C=C(C)[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccc(F)c(F)c1 ZINC000185837555 1431248067 /nfs/dbraw/zinc/24/80/67/1431248067.db2.gz QDUJVRDWOXJSQW-IBGZPJMESA-N 1 1 381.467 3.070 20 30 GGEDMO C=C(C)[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000185844950 1431249785 /nfs/dbraw/zinc/24/97/85/1431249785.db2.gz NZRXVMCVTDDVTJ-LJQANCHMSA-N 1 1 394.510 3.297 20 30 GGEDMO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186267589 1431366788 /nfs/dbraw/zinc/36/67/88/1431366788.db2.gz WPEMQSRQXZVSCL-VXKWHMMOSA-N 1 1 398.551 3.369 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000186274871 1431368656 /nfs/dbraw/zinc/36/86/56/1431368656.db2.gz BPFHWXQXQYRWMK-QGZVFWFLSA-N 1 1 399.516 3.170 20 30 GGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186275486 1431368862 /nfs/dbraw/zinc/36/88/62/1431368862.db2.gz FXXIIVHYVHZVEG-INIZCTEOSA-N 1 1 399.516 3.300 20 30 GGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186275508 1431369073 /nfs/dbraw/zinc/36/90/73/1431369073.db2.gz FXXIIVHYVHZVEG-MRXNPFEDSA-N 1 1 399.516 3.300 20 30 GGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1C#N ZINC000186285068 1431371510 /nfs/dbraw/zinc/37/15/10/1431371510.db2.gz MSLRNLSQDWHVKR-MRXNPFEDSA-N 1 1 399.516 3.300 20 30 GGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186297508 1431375096 /nfs/dbraw/zinc/37/50/96/1431375096.db2.gz XADCGBYNMUUARF-INIZCTEOSA-N 1 1 399.516 3.300 20 30 GGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000186297508 1431375101 /nfs/dbraw/zinc/37/51/01/1431375101.db2.gz XADCGBYNMUUARF-INIZCTEOSA-N 1 1 399.516 3.300 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000186305102 1431377015 /nfs/dbraw/zinc/37/70/15/1431377015.db2.gz JBUHIASTASRMDE-HNNXBMFYSA-N 1 1 387.480 3.430 20 30 GGEDMO CCN(C(=O)COc1ccc(C#N)cc1OC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186326268 1431383564 /nfs/dbraw/zinc/38/35/64/1431383564.db2.gz CKZDIVCGCGUJGL-HXUWFJFHSA-N 1 1 393.487 3.069 20 30 GGEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000186574765 1431457714 /nfs/dbraw/zinc/45/77/14/1431457714.db2.gz NNGJIEATORVQMX-UHFFFAOYSA-N 1 1 375.476 3.345 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2cccc(F)c2C#N)C[C@H](C)O1 ZINC000186750771 1431507535 /nfs/dbraw/zinc/50/75/35/1431507535.db2.gz FZACHPAYPQBVRP-IYBDPMFKSA-N 1 1 381.451 3.237 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2cccc(F)c2C#N)C[C@H](C)O1 ZINC000186750771 1431507540 /nfs/dbraw/zinc/50/75/40/1431507540.db2.gz FZACHPAYPQBVRP-IYBDPMFKSA-N 1 1 381.451 3.237 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CC1 ZINC000186916717 1431564580 /nfs/dbraw/zinc/56/45/80/1431564580.db2.gz DJNLNNLANXDIJQ-UHFFFAOYSA-N 1 1 398.956 3.448 20 30 GGEDMO COc1ccc(NC(=[NH2+])NC[C@H](C2CC2)N(C)Cc2ccccc2)cc1OC ZINC000187055715 1431600859 /nfs/dbraw/zinc/60/08/59/1431600859.db2.gz HXUPIRQEIDJIAD-LJQANCHMSA-N 1 1 382.508 3.341 20 30 GGEDMO C=C(C)[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCOCC1)c1ccc(F)c(F)c1 ZINC000187369993 1431711800 /nfs/dbraw/zinc/71/18/00/1431711800.db2.gz WVCDZEPAELOZTD-LJQANCHMSA-N 1 1 376.451 3.250 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]nc3-c3ccsc3)CC2)cc1 ZINC000187419149 1431724438 /nfs/dbraw/zinc/72/44/38/1431724438.db2.gz FRZSLRMGDIUQOZ-UHFFFAOYSA-N 1 1 391.500 3.358 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c[nH]nc3-c3ccsc3)CC2)cc1 ZINC000187419149 1431724446 /nfs/dbraw/zinc/72/44/46/1431724446.db2.gz FRZSLRMGDIUQOZ-UHFFFAOYSA-N 1 1 391.500 3.358 20 30 GGEDMO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000187621625 1431780888 /nfs/dbraw/zinc/78/08/88/1431780888.db2.gz MZNSDEVNCGGCAL-QFIPXVFZSA-N 1 1 398.507 3.041 20 30 GGEDMO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000187621625 1431780895 /nfs/dbraw/zinc/78/08/95/1431780895.db2.gz MZNSDEVNCGGCAL-QFIPXVFZSA-N 1 1 398.507 3.041 20 30 GGEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(F)c(F)c1 ZINC000187759787 1431809242 /nfs/dbraw/zinc/80/92/42/1431809242.db2.gz OAFDSYKVVOMNRO-IBGZPJMESA-N 1 1 399.397 3.036 20 30 GGEDMO C=C(C)[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccc(F)c(F)c1 ZINC000187770770 1431810471 /nfs/dbraw/zinc/81/04/71/1431810471.db2.gz ZSORJZOIAGOTKP-KRWDZBQOSA-N 1 1 379.432 3.259 20 30 GGEDMO N#Cc1ccccc1Oc1ccc(NC(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000187813448 1431815373 /nfs/dbraw/zinc/81/53/73/1431815373.db2.gz KEAFBSYOKUKWID-UHFFFAOYSA-N 1 1 380.448 3.194 20 30 GGEDMO C#CCOc1ccccc1NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000188066136 1431841735 /nfs/dbraw/zinc/84/17/35/1431841735.db2.gz LPOKKNMRMRXDQC-HDICACEKSA-N 1 1 385.508 3.052 20 30 GGEDMO C#CCOc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000188091810 1431845665 /nfs/dbraw/zinc/84/56/65/1431845665.db2.gz JPQZVPUWWHLWSC-UHFFFAOYSA-N 1 1 393.487 3.447 20 30 GGEDMO N#Cc1ccc(Oc2cccc(NC(=O)NCC[N@H+]3CCCOCC3)c2)cc1 ZINC000188141136 1431852197 /nfs/dbraw/zinc/85/21/97/1431852197.db2.gz LTHHQULPSYLNBH-UHFFFAOYSA-N 1 1 380.448 3.194 20 30 GGEDMO C=C[C@H](CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000188157134 1431854034 /nfs/dbraw/zinc/85/40/34/1431854034.db2.gz SLWPBHNHKDHAHX-QPPBQGQZSA-N 1 1 378.516 3.442 20 30 GGEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C[C@H](C)O1 ZINC000188176529 1431857172 /nfs/dbraw/zinc/85/71/72/1431857172.db2.gz UNUVTOPZDXXLGY-KDURUIRLSA-N 1 1 395.547 3.328 20 30 GGEDMO C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CC[N@H+]1CC(C)(C)O ZINC000188629240 1431909891 /nfs/dbraw/zinc/90/98/91/1431909891.db2.gz BHDUCFFSJSALBJ-KRWDZBQOSA-N 1 1 377.488 3.142 20 30 GGEDMO N#CCCCOc1cccnc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000188707871 1431939931 /nfs/dbraw/zinc/93/99/31/1431939931.db2.gz RRBVMUFRHFAIFK-WMZOPIPTSA-N 1 1 383.496 3.245 20 30 GGEDMO C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000188705068 1431940095 /nfs/dbraw/zinc/94/00/95/1431940095.db2.gz LEJQUGPKQHPCCL-OAHLLOKOSA-N 1 1 399.520 3.394 20 30 GGEDMO C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@H+]1CCc2sccc2C1 ZINC000188705068 1431940105 /nfs/dbraw/zinc/94/01/05/1431940105.db2.gz LEJQUGPKQHPCCL-OAHLLOKOSA-N 1 1 399.520 3.394 20 30 GGEDMO C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000188705043 1431940149 /nfs/dbraw/zinc/94/01/49/1431940149.db2.gz LEJQUGPKQHPCCL-HNNXBMFYSA-N 1 1 399.520 3.394 20 30 GGEDMO C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@H+]1CCc2sccc2C1 ZINC000188705043 1431940154 /nfs/dbraw/zinc/94/01/54/1431940154.db2.gz LEJQUGPKQHPCCL-HNNXBMFYSA-N 1 1 399.520 3.394 20 30 GGEDMO C=CCOc1cccc(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000188722235 1431945616 /nfs/dbraw/zinc/94/56/16/1431945616.db2.gz IJWDHYWAGIBFOT-HSZRJFAPSA-N 1 1 395.503 3.352 20 30 GGEDMO N#Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1O ZINC000188854232 1431999025 /nfs/dbraw/zinc/99/90/25/1431999025.db2.gz COOVIRNYQCCLCQ-RTWAWAEBSA-N 1 1 375.472 3.391 20 30 GGEDMO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)c(O)c1 ZINC000189027347 1432029306 /nfs/dbraw/zinc/02/93/06/1432029306.db2.gz RXVOEHGZYDIADG-IBGZPJMESA-N 1 1 379.460 3.096 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)c(O)c1 ZINC000189027347 1432029312 /nfs/dbraw/zinc/02/93/12/1432029312.db2.gz RXVOEHGZYDIADG-IBGZPJMESA-N 1 1 379.460 3.096 20 30 GGEDMO N#CCCN(C(=O)C[NH+]1CCC([C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000189187242 1432060083 /nfs/dbraw/zinc/06/00/83/1432060083.db2.gz JOWDPNUHLDQMTR-IBGZPJMESA-N 1 1 375.900 3.478 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000189341750 1432089985 /nfs/dbraw/zinc/08/99/85/1432089985.db2.gz FNLVEQYZYADWJK-HNNXBMFYSA-N 1 1 387.480 3.430 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000189341750 1432089993 /nfs/dbraw/zinc/08/99/93/1432089993.db2.gz FNLVEQYZYADWJK-HNNXBMFYSA-N 1 1 387.480 3.430 20 30 GGEDMO C=CCN(CCOC)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000189712027 1432211445 /nfs/dbraw/zinc/21/14/45/1432211445.db2.gz VMPZOJUSBAVJBT-YJBOKZPZSA-N 1 1 383.895 3.316 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000190187380 1432336540 /nfs/dbraw/zinc/33/65/40/1432336540.db2.gz NCYWCHGUTLZDNM-HOTGVXAUSA-N 1 1 390.553 3.390 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000190187405 1432336712 /nfs/dbraw/zinc/33/67/12/1432336712.db2.gz WPIFLWIIDMZRFO-CVEARBPZSA-N 1 1 390.553 3.390 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000190319286 1432360477 /nfs/dbraw/zinc/36/04/77/1432360477.db2.gz UWDQKHUBQSNZSE-WMZHIEFXSA-N 1 1 379.504 3.046 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000190319286 1432360480 /nfs/dbraw/zinc/36/04/80/1432360480.db2.gz UWDQKHUBQSNZSE-WMZHIEFXSA-N 1 1 379.504 3.046 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000190319286 1432360482 /nfs/dbraw/zinc/36/04/82/1432360482.db2.gz UWDQKHUBQSNZSE-WMZHIEFXSA-N 1 1 379.504 3.046 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190549644 1432404426 /nfs/dbraw/zinc/40/44/26/1432404426.db2.gz SKJOIYBJMYHZJI-QGZVFWFLSA-N 1 1 396.466 3.399 20 30 GGEDMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000190581529 1432412412 /nfs/dbraw/zinc/41/24/12/1432412412.db2.gz LPZRAUWOCUYCNY-GOSISDBHSA-N 1 1 380.517 3.291 20 30 GGEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc2c(s1)CCCC2 ZINC000190614667 1432420789 /nfs/dbraw/zinc/42/07/89/1432420789.db2.gz RSYJOEJCOZOSBA-KDOFPFPSSA-N 1 1 380.517 3.345 20 30 GGEDMO C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000190661626 1432435202 /nfs/dbraw/zinc/43/52/02/1432435202.db2.gz XMIYEBVBEFLFMH-HXUWFJFHSA-N 1 1 377.460 3.027 20 30 GGEDMO C[N@H+]1CC[C@H](CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)C1 ZINC000191049462 1432557320 /nfs/dbraw/zinc/55/73/20/1432557320.db2.gz MNWYPOMQBHPOTF-INIZCTEOSA-N 1 1 376.485 3.301 20 30 GGEDMO Cn1cc([C@H]2CSCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000191175268 1432582830 /nfs/dbraw/zinc/58/28/30/1432582830.db2.gz NCHGGNRZOZZDMB-QGZVFWFLSA-N 1 1 389.912 3.064 20 30 GGEDMO Cn1cc([C@H]2CSCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000191175268 1432582835 /nfs/dbraw/zinc/58/28/35/1432582835.db2.gz NCHGGNRZOZZDMB-QGZVFWFLSA-N 1 1 389.912 3.064 20 30 GGEDMO Cc1ccc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000191234682 1432599170 /nfs/dbraw/zinc/59/91/70/1432599170.db2.gz BFTUEPMGRKZOBE-JOCHJYFZSA-N 1 1 393.512 3.488 20 30 GGEDMO CCN(C)c1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000191289751 1432622166 /nfs/dbraw/zinc/62/21/66/1432622166.db2.gz QLIMLDFNEQXRKD-UHFFFAOYSA-N 1 1 386.503 3.280 20 30 GGEDMO N#Cc1ccccc1OCC[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191309114 1432628086 /nfs/dbraw/zinc/62/80/86/1432628086.db2.gz HKQINYFFUVSVOP-UHFFFAOYSA-N 1 1 397.426 3.020 20 30 GGEDMO N#Cc1ccccc1OCC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191309114 1432628093 /nfs/dbraw/zinc/62/80/93/1432628093.db2.gz HKQINYFFUVSVOP-UHFFFAOYSA-N 1 1 397.426 3.020 20 30 GGEDMO N#Cc1cccc(OCC[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191311492 1432628980 /nfs/dbraw/zinc/62/89/80/1432628980.db2.gz KSELDMIKAPFFIK-UHFFFAOYSA-N 1 1 397.426 3.020 20 30 GGEDMO COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000191488680 1432670395 /nfs/dbraw/zinc/67/03/95/1432670395.db2.gz HCXKUKXHKJJQNG-GOSISDBHSA-N 1 1 383.517 3.430 20 30 GGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000191488680 1432670400 /nfs/dbraw/zinc/67/04/00/1432670400.db2.gz HCXKUKXHKJJQNG-GOSISDBHSA-N 1 1 383.517 3.430 20 30 GGEDMO CCCn1ccnc1CCC[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191512871 1432676374 /nfs/dbraw/zinc/67/63/74/1432676374.db2.gz NTBGNCCLXUOILQ-FQEVSTJZSA-N 1 1 379.508 3.225 20 30 GGEDMO CC[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000191959078 1432767179 /nfs/dbraw/zinc/76/71/79/1432767179.db2.gz NNDKXZNEAUHKIL-SFHVURJKSA-N 1 1 385.533 3.403 20 30 GGEDMO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(C#N)c(F)c1 ZINC000191973478 1432772099 /nfs/dbraw/zinc/77/20/99/1432772099.db2.gz AYDZSNPBCBOOOW-UHFFFAOYSA-N 1 1 376.453 3.002 20 30 GGEDMO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(C#N)c(F)c1 ZINC000191973478 1432772103 /nfs/dbraw/zinc/77/21/03/1432772103.db2.gz AYDZSNPBCBOOOW-UHFFFAOYSA-N 1 1 376.453 3.002 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1F ZINC000191975498 1432772870 /nfs/dbraw/zinc/77/28/70/1432772870.db2.gz XBDFRWAHFLTGQG-HXUWFJFHSA-N 1 1 393.510 3.127 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1F ZINC000191975498 1432772881 /nfs/dbraw/zinc/77/28/81/1432772881.db2.gz XBDFRWAHFLTGQG-HXUWFJFHSA-N 1 1 393.510 3.127 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(C#N)c(F)c2)C(C)C)cc1 ZINC000192014469 1432779878 /nfs/dbraw/zinc/77/98/78/1432779878.db2.gz YXVASBUQYRFEIM-HXUWFJFHSA-N 1 1 399.466 3.306 20 30 GGEDMO N#Cc1ccc(SCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192215545 1432817896 /nfs/dbraw/zinc/81/78/96/1432817896.db2.gz WQKZZGUNNRFVBQ-HXUWFJFHSA-N 1 1 395.528 3.058 20 30 GGEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192609891 1432865699 /nfs/dbraw/zinc/86/56/99/1432865699.db2.gz MSNRSZFXLXZPIA-MOFFZTGCSA-N 1 1 395.528 3.484 20 30 GGEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192609891 1432865700 /nfs/dbraw/zinc/86/57/00/1432865700.db2.gz MSNRSZFXLXZPIA-MOFFZTGCSA-N 1 1 395.528 3.484 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)C2=O)cc1 ZINC000192621572 1432867373 /nfs/dbraw/zinc/86/73/73/1432867373.db2.gz SAOTVLPCRFALKP-XUVXKRRUSA-N 1 1 379.460 3.235 20 30 GGEDMO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCc2c[nH]c3ccccc23)CC1=O ZINC000192916796 1432907244 /nfs/dbraw/zinc/90/72/44/1432907244.db2.gz VJLOGNKBOQPUGC-UHFFFAOYSA-N 1 1 385.471 3.370 20 30 GGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193087360 1432934100 /nfs/dbraw/zinc/93/41/00/1432934100.db2.gz IBRVEVKCUDTXBO-KRWDZBQOSA-N 1 1 384.524 3.055 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2nnc3ccccn32)cc1 ZINC000193327722 1432980118 /nfs/dbraw/zinc/98/01/18/1432980118.db2.gz KPERUIVXLQPOMF-IRXDYDNUSA-N 1 1 376.464 3.024 20 30 GGEDMO COc1ccc([C@H](NC(=O)CO[NH+]=C(N)CCc2ccccc2)C2CC2)cc1 ZINC000193590702 1433025066 /nfs/dbraw/zinc/02/50/66/1433025066.db2.gz WOAHRANXSKYBIO-JOCHJYFZSA-N 1 1 381.476 3.184 20 30 GGEDMO N#Cc1ccc(OCCC[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000193687009 1433040863 /nfs/dbraw/zinc/04/08/63/1433040863.db2.gz HASNSXMFFFMSBN-UHFFFAOYSA-N 1 1 381.451 3.314 20 30 GGEDMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3cc(C#N)ccn3)CC2)cc1 ZINC000193832714 1433068896 /nfs/dbraw/zinc/06/88/96/1433068896.db2.gz BRKRVSNXRROVEQ-UHFFFAOYSA-N 1 1 380.517 3.088 20 30 GGEDMO CCCCOc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000193854024 1433073884 /nfs/dbraw/zinc/07/38/84/1433073884.db2.gz OZGQWOJFYJWDJZ-UHFFFAOYSA-N 1 1 380.492 3.463 20 30 GGEDMO CCCCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000193854257 1433073892 /nfs/dbraw/zinc/07/38/92/1433073892.db2.gz VVBMCGSEXDALRW-UHFFFAOYSA-N 1 1 380.492 3.463 20 30 GGEDMO C=CCc1cc(OCC)cc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000193989864 1433097052 /nfs/dbraw/zinc/09/70/52/1433097052.db2.gz BGTSLUMSWVJISP-UHFFFAOYSA-N 1 1 380.488 3.477 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000194010216 1433100464 /nfs/dbraw/zinc/10/04/64/1433100464.db2.gz PQUYMNBZSLOXGC-ZWKOTPCHSA-N 1 1 393.487 3.186 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1 ZINC000194010216 1433100465 /nfs/dbraw/zinc/10/04/65/1433100465.db2.gz PQUYMNBZSLOXGC-ZWKOTPCHSA-N 1 1 393.487 3.186 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccccc3OCC#N)cc2)C[C@H](C)O1 ZINC000194144819 1433125918 /nfs/dbraw/zinc/12/59/18/1433125918.db2.gz GROLVTOUGONCRJ-HDICACEKSA-N 1 1 393.487 3.128 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000194184243 1433133938 /nfs/dbraw/zinc/13/39/38/1433133938.db2.gz NDTSFTSDGXZSNQ-UHFFFAOYSA-N 1 1 378.476 3.161 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000194280728 1433154397 /nfs/dbraw/zinc/15/43/97/1433154397.db2.gz HDPMBFXAEQDPRP-LJQANCHMSA-N 1 1 396.535 3.046 20 30 GGEDMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000194349131 1433165039 /nfs/dbraw/zinc/16/50/39/1433165039.db2.gz FGEMYIVRGQKTSQ-FQEVSTJZSA-N 1 1 391.475 3.416 20 30 GGEDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccccc2-c2ccccc2C#N)C[C@H](C)O1 ZINC000194753763 1433224917 /nfs/dbraw/zinc/22/49/17/1433224917.db2.gz OSTGLUQBKBZWQR-HDICACEKSA-N 1 1 377.488 3.406 20 30 GGEDMO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccccc2-c2ccccc2C#N)C[C@H](C)O1 ZINC000194753763 1433224921 /nfs/dbraw/zinc/22/49/21/1433224921.db2.gz OSTGLUQBKBZWQR-HDICACEKSA-N 1 1 377.488 3.406 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000194853664 1433248970 /nfs/dbraw/zinc/24/89/70/1433248970.db2.gz AMINCHRBJIIZQV-AVRDEDQJSA-N 1 1 385.508 3.233 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000194873210 1433253828 /nfs/dbraw/zinc/25/38/28/1433253828.db2.gz SPMLIJAXMYTYEG-XOBRGWDASA-N 1 1 375.469 3.006 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000194873210 1433253832 /nfs/dbraw/zinc/25/38/32/1433253832.db2.gz SPMLIJAXMYTYEG-XOBRGWDASA-N 1 1 375.469 3.006 20 30 GGEDMO C[C@H](O)c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000195070873 1433288415 /nfs/dbraw/zinc/28/84/15/1433288415.db2.gz NDGTZTKTZUWROC-SFHVURJKSA-N 1 1 392.503 3.029 20 30 GGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000195415111 1433327191 /nfs/dbraw/zinc/32/71/91/1433327191.db2.gz IVDUNXFGOFOCLQ-UHFFFAOYSA-N 1 1 386.455 3.200 20 30 GGEDMO Cc1nn(C)c2ncc(C[NH+]3CCN(c4c(C#N)cnc5ccccc54)CC3)cc12 ZINC000195415841 1433327578 /nfs/dbraw/zinc/32/75/78/1433327578.db2.gz HFVJCDVSOPYLBL-UHFFFAOYSA-N 1 1 397.486 3.019 20 30 GGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000195600772 1433341165 /nfs/dbraw/zinc/34/11/65/1433341165.db2.gz XPPQHLLFBPMWFD-HZPDHXFCSA-N 1 1 392.931 3.199 20 30 GGEDMO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000195731841 1433346214 /nfs/dbraw/zinc/34/62/14/1433346214.db2.gz NGCHWOORMULNPI-PKTZIBPZSA-N 1 1 388.515 3.060 20 30 GGEDMO C=CCc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000198859057 1433351621 /nfs/dbraw/zinc/35/16/21/1433351621.db2.gz VTMMLZCSTXVZMA-FQEVSTJZSA-N 1 1 380.488 3.437 20 30 GGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000216165843 1433362961 /nfs/dbraw/zinc/36/29/61/1433362961.db2.gz WVKHQJGGYDNMDX-KRWDZBQOSA-N 1 1 395.569 3.251 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000228290816 1433371020 /nfs/dbraw/zinc/37/10/20/1433371020.db2.gz SBAVZHVHOZGOOM-CVEARBPZSA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000228290816 1433371022 /nfs/dbraw/zinc/37/10/22/1433371022.db2.gz SBAVZHVHOZGOOM-CVEARBPZSA-N 1 1 386.496 3.122 20 30 GGEDMO C#CCOc1ccc(C[NH2+]Cc2ccc(N3CCN(CC)CC3)c(F)c2)cc1 ZINC000237005821 1433385629 /nfs/dbraw/zinc/38/56/29/1433385629.db2.gz SPCKDGYLINNKFF-UHFFFAOYSA-N 1 1 381.495 3.269 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000245389532 1433457577 /nfs/dbraw/zinc/45/75/77/1433457577.db2.gz ILSZTJWMCNYJBG-QZTJIDSGSA-N 1 1 391.581 3.135 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000245394172 1433459252 /nfs/dbraw/zinc/45/92/52/1433459252.db2.gz XKSICKCODPHHJA-HUUCEWRRSA-N 1 1 390.915 3.167 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000245394172 1433459255 /nfs/dbraw/zinc/45/92/55/1433459255.db2.gz XKSICKCODPHHJA-HUUCEWRRSA-N 1 1 390.915 3.167 20 30 GGEDMO CC[N@@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000245431352 1433466522 /nfs/dbraw/zinc/46/65/22/1433466522.db2.gz ARLSZSACHBTDFN-HOTGVXAUSA-N 1 1 388.581 3.347 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000245435326 1433467036 /nfs/dbraw/zinc/46/70/36/1433467036.db2.gz QJXSCULYKRGOQC-NFBKMPQASA-N 1 1 380.488 3.060 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245439267 1433467878 /nfs/dbraw/zinc/46/78/78/1433467878.db2.gz FSPGJXURIBWFTK-AZUAARDMSA-N 1 1 376.504 3.339 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245439269 1433467914 /nfs/dbraw/zinc/46/79/14/1433467914.db2.gz FSPGJXURIBWFTK-UYAOXDASSA-N 1 1 376.504 3.339 20 30 GGEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245439972 1433468169 /nfs/dbraw/zinc/46/81/69/1433468169.db2.gz UCRSGBPCNPPGSB-RTBURBONSA-N 1 1 394.523 3.374 20 30 GGEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245439972 1433468170 /nfs/dbraw/zinc/46/81/70/1433468170.db2.gz UCRSGBPCNPPGSB-RTBURBONSA-N 1 1 394.523 3.374 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245460216 1433472588 /nfs/dbraw/zinc/47/25/88/1433472588.db2.gz VQNKHCKJZJGRLQ-GHTZIAJQSA-N 1 1 376.504 3.339 20 30 GGEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000245483711 1433476426 /nfs/dbraw/zinc/47/64/26/1433476426.db2.gz FZQLENXEYLDFRH-XHSDSOJGSA-N 1 1 386.565 3.383 20 30 GGEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000245565672 1433486281 /nfs/dbraw/zinc/48/62/81/1433486281.db2.gz RZOWMXKYQOAYEZ-IEBWSBKVSA-N 1 1 382.508 3.118 20 30 GGEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000245565672 1433486283 /nfs/dbraw/zinc/48/62/83/1433486283.db2.gz RZOWMXKYQOAYEZ-IEBWSBKVSA-N 1 1 382.508 3.118 20 30 GGEDMO 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C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245745018 1433509964 /nfs/dbraw/zinc/50/99/64/1433509964.db2.gz MQKHRAMVZJEDFM-YYTGVUGMSA-N 1 1 398.555 3.181 20 30 GGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245745018 1433509968 /nfs/dbraw/zinc/50/99/68/1433509968.db2.gz MQKHRAMVZJEDFM-YYTGVUGMSA-N 1 1 398.555 3.181 20 30 GGEDMO Cc1nc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000245759267 1433513098 /nfs/dbraw/zinc/51/30/98/1433513098.db2.gz ZCMWZNDQHTYNBY-KXBFYZLASA-N 1 1 386.858 3.477 20 30 GGEDMO Cc1nc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000245759267 1433513101 /nfs/dbraw/zinc/51/31/01/1433513101.db2.gz ZCMWZNDQHTYNBY-KXBFYZLASA-N 1 1 386.858 3.477 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245776267 1433515915 /nfs/dbraw/zinc/51/59/15/1433515915.db2.gz UAXFFGJEXXUUCB-FUHWJXTLSA-N 1 1 392.507 3.197 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245776267 1433515921 /nfs/dbraw/zinc/51/59/21/1433515921.db2.gz UAXFFGJEXXUUCB-FUHWJXTLSA-N 1 1 392.507 3.197 20 30 GGEDMO C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCc2ccccc21 ZINC000245838069 1433524262 /nfs/dbraw/zinc/52/42/62/1433524262.db2.gz BQLKKKBXNWTLRG-VQTJNVASSA-N 1 1 394.544 3.076 20 30 GGEDMO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245870375 1433531254 /nfs/dbraw/zinc/53/12/54/1433531254.db2.gz JGMJOPUHYIEQBC-KURKYZTESA-N 1 1 387.524 3.095 20 30 GGEDMO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245870375 1433531255 /nfs/dbraw/zinc/53/12/55/1433531255.db2.gz JGMJOPUHYIEQBC-KURKYZTESA-N 1 1 387.524 3.095 20 30 GGEDMO C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000245877086 1433532753 /nfs/dbraw/zinc/53/27/53/1433532753.db2.gz MRIXHJJOCATQAO-JUXOCIIHSA-N 1 1 394.544 3.150 20 30 GGEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000245877086 1433532755 /nfs/dbraw/zinc/53/27/55/1433532755.db2.gz MRIXHJJOCATQAO-JUXOCIIHSA-N 1 1 394.544 3.150 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245885989 1433533730 /nfs/dbraw/zinc/53/37/30/1433533730.db2.gz NVYPYWRRKCKPBV-MSOLQXFVSA-N 1 1 386.565 3.339 20 30 GGEDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000245926311 1433544695 /nfs/dbraw/zinc/54/46/95/1433544695.db2.gz HQVWKRGMTXOHGR-JBYIUTFZSA-N 1 1 393.535 3.032 20 30 GGEDMO CC(C)[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245928701 1433545895 /nfs/dbraw/zinc/54/58/95/1433545895.db2.gz XUBWYMZAMSOKOV-KGVIQGDOSA-N 1 1 399.535 3.062 20 30 GGEDMO CC(C)[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245928701 1433545900 /nfs/dbraw/zinc/54/59/00/1433545900.db2.gz XUBWYMZAMSOKOV-KGVIQGDOSA-N 1 1 399.535 3.062 20 30 GGEDMO C[C@H](CC#N)N(C)Cn1nc([C@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000246098015 1433568229 /nfs/dbraw/zinc/56/82/29/1433568229.db2.gz HPSBFBSIIJDQOG-KGLIPLIRSA-N 1 1 376.505 3.356 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246118169 1433571347 /nfs/dbraw/zinc/57/13/47/1433571347.db2.gz KOHASBSOEXVIKO-IAGOWNOFSA-N 1 1 399.564 3.069 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246118169 1433571350 /nfs/dbraw/zinc/57/13/50/1433571350.db2.gz KOHASBSOEXVIKO-IAGOWNOFSA-N 1 1 399.564 3.069 20 30 GGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@@H](O)COc4ccc(C#N)cc4)C3)nc2c1 ZINC000246127600 1433572260 /nfs/dbraw/zinc/57/22/60/1433572260.db2.gz RCSSPABXGACLQU-RTBURBONSA-N 1 1 390.487 3.362 20 30 GGEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@@H](O)COc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000246127600 1433572263 /nfs/dbraw/zinc/57/22/63/1433572263.db2.gz RCSSPABXGACLQU-RTBURBONSA-N 1 1 390.487 3.362 20 30 GGEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@@H](O)COc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000246127600 1433572266 /nfs/dbraw/zinc/57/22/66/1433572266.db2.gz RCSSPABXGACLQU-RTBURBONSA-N 1 1 390.487 3.362 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3CCCN(C)C3)sc2C1 ZINC000246127919 1433572434 /nfs/dbraw/zinc/57/24/34/1433572434.db2.gz IFPDUESHRBYNOY-CVEARBPZSA-N 1 1 388.581 3.347 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@H]3CCCN(C)C3)sc2C1 ZINC000246127919 1433572438 /nfs/dbraw/zinc/57/24/38/1433572438.db2.gz IFPDUESHRBYNOY-CVEARBPZSA-N 1 1 388.581 3.347 20 30 GGEDMO C[C@H]([N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1(C)CC1 ZINC000246164056 1433576682 /nfs/dbraw/zinc/57/66/82/1433576682.db2.gz QXWKZERFCKQAFX-DLBZAZTESA-N 1 1 398.551 3.476 20 30 GGEDMO C[C@@H]([N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1(C)CC1 ZINC000246164061 1433576786 /nfs/dbraw/zinc/57/67/86/1433576786.db2.gz QXWKZERFCKQAFX-IAGOWNOFSA-N 1 1 398.551 3.476 20 30 GGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246170768 1433577493 /nfs/dbraw/zinc/57/74/93/1433577493.db2.gz RYKYICCJIPFUHI-LQNXUBFPSA-N 1 1 388.471 3.161 20 30 GGEDMO CCOC[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000246224026 1433583825 /nfs/dbraw/zinc/58/38/25/1433583825.db2.gz PJYGNOYILYCQQW-LSDHHAIUSA-N 1 1 375.538 3.432 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000246235872 1433585167 /nfs/dbraw/zinc/58/51/67/1433585167.db2.gz NITXADFNXHKIFE-WZONZLPQSA-N 1 1 390.531 3.452 20 30 GGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000246252700 1433586759 /nfs/dbraw/zinc/58/67/59/1433586759.db2.gz AAGMVEWIMGSXRF-LEWJYISDSA-N 1 1 378.476 3.268 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000246256330 1433587042 /nfs/dbraw/zinc/58/70/42/1433587042.db2.gz YTOHNWIZOYLMJR-UZLBHIALSA-N 1 1 377.916 3.485 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000246256330 1433587044 /nfs/dbraw/zinc/58/70/44/1433587044.db2.gz YTOHNWIZOYLMJR-UZLBHIALSA-N 1 1 377.916 3.485 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000246256324 1433587061 /nfs/dbraw/zinc/58/70/61/1433587061.db2.gz YTOHNWIZOYLMJR-OXQOHEQNSA-N 1 1 377.916 3.485 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000246256324 1433587064 /nfs/dbraw/zinc/58/70/64/1433587064.db2.gz YTOHNWIZOYLMJR-OXQOHEQNSA-N 1 1 377.916 3.485 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246272108 1433588325 /nfs/dbraw/zinc/58/83/25/1433588325.db2.gz VAFFRVPHDAWCAK-VQIMIIECSA-N 1 1 389.546 3.290 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H](N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1=O ZINC000246365039 1433601102 /nfs/dbraw/zinc/60/11/02/1433601102.db2.gz HBEVIEKIHLMKAJ-IBGZPJMESA-N 1 1 398.507 3.072 20 30 GGEDMO 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C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000246459307 1433615652 /nfs/dbraw/zinc/61/56/52/1433615652.db2.gz WLEMNPWPNUFTNB-HNAYVOBHSA-N 1 1 387.480 3.201 20 30 GGEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000246480887 1433619226 /nfs/dbraw/zinc/61/92/26/1433619226.db2.gz GNHVRBZIHKXMDY-RMVXJAJNSA-N 1 1 384.524 3.315 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000246502582 1433622205 /nfs/dbraw/zinc/62/22/05/1433622205.db2.gz FTOVSGBMRQALGQ-APWZRJJASA-N 1 1 397.450 3.233 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000246502582 1433622206 /nfs/dbraw/zinc/62/22/06/1433622206.db2.gz FTOVSGBMRQALGQ-APWZRJJASA-N 1 1 397.450 3.233 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246519296 1433624628 /nfs/dbraw/zinc/62/46/28/1433624628.db2.gz RDERIBFLNDSHQB-NUJGCVRESA-N 1 1 388.537 3.123 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246545909 1433629036 /nfs/dbraw/zinc/62/90/36/1433629036.db2.gz KDWJWLBPWRSIIU-FGSXEWAUSA-N 1 1 398.526 3.410 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246563683 1433631940 /nfs/dbraw/zinc/63/19/40/1433631940.db2.gz LAUITVKRPLQGNM-KKVAFCGZSA-N 1 1 386.927 3.487 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000246590082 1433635514 /nfs/dbraw/zinc/63/55/14/1433635514.db2.gz CPRRRQUYHYNSPG-SJLPKXTDSA-N 1 1 379.426 3.183 20 30 GGEDMO COC(=O)[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000246599100 1433637607 /nfs/dbraw/zinc/63/76/07/1433637607.db2.gz XHASJKNPLYAVHN-VOQZNFBZSA-N 1 1 377.488 3.415 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000246601054 1433637783 /nfs/dbraw/zinc/63/77/83/1433637783.db2.gz QPSCTFONJBYFSB-LSDHHAIUSA-N 1 1 397.491 3.112 20 30 GGEDMO C[C@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000246625568 1433641219 /nfs/dbraw/zinc/64/12/19/1433641219.db2.gz ZCKDZPACSWTKBA-PXNSSMCTSA-N 1 1 394.544 3.321 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000246631610 1433642869 /nfs/dbraw/zinc/64/28/69/1433642869.db2.gz ZMZJIMJCHCWWSL-HKUYNNGSSA-N 1 1 381.501 3.264 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000246631610 1433642873 /nfs/dbraw/zinc/64/28/73/1433642873.db2.gz ZMZJIMJCHCWWSL-HKUYNNGSSA-N 1 1 381.501 3.264 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246668143 1433647389 /nfs/dbraw/zinc/64/73/89/1433647389.db2.gz TXAMNRXDPMJKRK-QWFCFKBJSA-N 1 1 387.524 3.035 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246781188 1433665302 /nfs/dbraw/zinc/66/53/02/1433665302.db2.gz QBTZKXMGHKTHOY-IEBWSBKVSA-N 1 1 375.538 3.142 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246809833 1433671743 /nfs/dbraw/zinc/67/17/43/1433671743.db2.gz NGPCEXLWMDIEHX-KCZVDYSFSA-N 1 1 384.451 3.025 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)C2=O)cc1 ZINC000246814147 1433672422 /nfs/dbraw/zinc/67/24/22/1433672422.db2.gz NKDJKMXRFHEIBA-FKBYEOEOSA-N 1 1 393.462 3.391 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1C#N ZINC000246850232 1433678004 /nfs/dbraw/zinc/67/80/04/1433678004.db2.gz TZLONOHLFZDXRX-GHTZIAJQSA-N 1 1 392.503 3.405 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1C#N ZINC000246850232 1433678011 /nfs/dbraw/zinc/67/80/11/1433678011.db2.gz TZLONOHLFZDXRX-GHTZIAJQSA-N 1 1 392.503 3.405 20 30 GGEDMO C=CCn1c(-c2ccncc2)nn(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1=S ZINC000246904388 1433685494 /nfs/dbraw/zinc/68/54/94/1433685494.db2.gz GBFUFKVXRIDQNL-ZWKOTPCHSA-N 1 1 384.553 3.036 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000247304835 1433702656 /nfs/dbraw/zinc/70/26/56/1433702656.db2.gz UZWLMASPQCXTKI-CRAIPNDOSA-N 1 1 386.565 3.243 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000247314411 1433704882 /nfs/dbraw/zinc/70/48/82/1433704882.db2.gz HKQQNXUCUMCJKC-PZJWPPBQSA-N 1 1 381.520 3.292 20 30 GGEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247580811 1433739113 /nfs/dbraw/zinc/73/91/13/1433739113.db2.gz LKLAMZIPSFMWHO-IAGOWNOFSA-N 1 1 386.540 3.334 20 30 GGEDMO N#Cc1ccccc1Sc1ccccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000247657447 1433744319 /nfs/dbraw/zinc/74/43/19/1433744319.db2.gz QIBCQNURZIOXNL-UHFFFAOYSA-N 1 1 381.501 3.162 20 30 GGEDMO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000247887842 1433755121 /nfs/dbraw/zinc/75/51/21/1433755121.db2.gz UKDZKUHWIDHGFW-QHCPKHFHSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1cc(C)cc(OC[C@@H](O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000247887842 1433755124 /nfs/dbraw/zinc/75/51/24/1433755124.db2.gz UKDZKUHWIDHGFW-QHCPKHFHSA-N 1 1 393.531 3.123 20 30 GGEDMO Cc1cc(C)cc(OC[C@@H](O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000247887842 1433755127 /nfs/dbraw/zinc/75/51/27/1433755127.db2.gz UKDZKUHWIDHGFW-QHCPKHFHSA-N 1 1 393.531 3.123 20 30 GGEDMO C=CCc1ccc(OCC(=O)N2CC[NH+](CCc3ccccc3)CC2)c(OC)c1 ZINC000247928984 1433756746 /nfs/dbraw/zinc/75/67/46/1433756746.db2.gz RHUCSBXXAJMRAS-UHFFFAOYSA-N 1 1 394.515 3.189 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)CC[C@H]21 ZINC000247943311 1433757982 /nfs/dbraw/zinc/75/79/82/1433757982.db2.gz DEICKYMOZZTESN-FXAWDEMLSA-N 1 1 379.460 3.287 20 30 GGEDMO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000248059987 1433766830 /nfs/dbraw/zinc/76/68/30/1433766830.db2.gz PSISDFUFVCZBJS-HXUWFJFHSA-N 1 1 390.531 3.113 20 30 GGEDMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000248059987 1433766841 /nfs/dbraw/zinc/76/68/41/1433766841.db2.gz PSISDFUFVCZBJS-HXUWFJFHSA-N 1 1 390.531 3.113 20 30 GGEDMO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000248059976 1433767043 /nfs/dbraw/zinc/76/70/43/1433767043.db2.gz PSISDFUFVCZBJS-FQEVSTJZSA-N 1 1 390.531 3.113 20 30 GGEDMO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000248059976 1433767048 /nfs/dbraw/zinc/76/70/48/1433767048.db2.gz PSISDFUFVCZBJS-FQEVSTJZSA-N 1 1 390.531 3.113 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248124432 1433771432 /nfs/dbraw/zinc/77/14/32/1433771432.db2.gz NTSMAQXLNQDUNN-FUDKSRODSA-N 1 1 382.552 3.027 20 30 GGEDMO N#CCCn1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000248174328 1433777689 /nfs/dbraw/zinc/77/76/89/1433777689.db2.gz VHYJWYCRJOGQAX-VQTJNVASSA-N 1 1 392.507 3.315 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248369282 1433788413 /nfs/dbraw/zinc/78/84/13/1433788413.db2.gz WBWDBLXLPGNIFV-ROUUACIJSA-N 1 1 390.487 3.027 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000248369282 1433788417 /nfs/dbraw/zinc/78/84/17/1433788417.db2.gz WBWDBLXLPGNIFV-ROUUACIJSA-N 1 1 390.487 3.027 20 30 GGEDMO CCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000248388943 1433793146 /nfs/dbraw/zinc/79/31/46/1433793146.db2.gz AENILTILUSSHBV-GCJKJVERSA-N 1 1 378.520 3.360 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)NC1(C#N)CCCCC1 ZINC000248398895 1433796384 /nfs/dbraw/zinc/79/63/84/1433796384.db2.gz NZAIJHDKZSRLBG-NGRWLJPCSA-N 1 1 382.552 3.075 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248415345 1433800854 /nfs/dbraw/zinc/80/08/54/1433800854.db2.gz HUWOVUCSPGAAON-CZUORRHYSA-N 1 1 391.397 3.438 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248415345 1433800855 /nfs/dbraw/zinc/80/08/55/1433800855.db2.gz HUWOVUCSPGAAON-CZUORRHYSA-N 1 1 391.397 3.438 20 30 GGEDMO C=C(C)[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000248505424 1433806146 /nfs/dbraw/zinc/80/61/46/1433806146.db2.gz WMOQAQVPTPBGSV-KHYOSLBOSA-N 1 1 381.467 3.381 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000248507207 1433806323 /nfs/dbraw/zinc/80/63/23/1433806323.db2.gz YJURIXUQONWOAC-NVXWUHKLSA-N 1 1 395.956 3.487 20 30 GGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000248531881 1433807077 /nfs/dbraw/zinc/80/70/77/1433807077.db2.gz PNLZIWTZLGGXFU-QUCCMNQESA-N 1 1 382.460 3.152 20 30 GGEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCC[C@H](C(=O)OCC)C1)c1ccc(F)c(F)c1 ZINC000248558919 1433808465 /nfs/dbraw/zinc/80/84/65/1433808465.db2.gz LZNBIHDYIYWVMF-QOKNQOGYSA-N 1 1 394.462 3.362 20 30 GGEDMO C[C@H]([NH2+][C@@H](C[S@@](C)=O)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000248600040 1433810617 /nfs/dbraw/zinc/81/06/17/1433810617.db2.gz UVKVBXLPEZMOMD-PGMWLNCHSA-N 1 1 389.565 3.015 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000248687285 1433815350 /nfs/dbraw/zinc/81/53/50/1433815350.db2.gz AMINCHRBJIIZQV-GCJKJVERSA-N 1 1 385.508 3.233 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000248702070 1433816056 /nfs/dbraw/zinc/81/60/56/1433816056.db2.gz AJSKWHUXDWNRPF-LAUBAEHRSA-N 1 1 379.529 3.428 20 30 GGEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+](C[C@H]3CCCO3)[C@H]3CCSC3)C2=O)cc1 ZINC000248782423 1433822203 /nfs/dbraw/zinc/82/22/03/1433822203.db2.gz VNSPBRXZKHCBJJ-ZCNNSNEGSA-N 1 1 385.533 3.040 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000248781621 1433822261 /nfs/dbraw/zinc/82/22/61/1433822261.db2.gz BYMXVTOKEYUDGG-IEBWSBKVSA-N 1 1 393.491 3.406 20 30 GGEDMO CC[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000248847952 1433825505 /nfs/dbraw/zinc/82/55/05/1433825505.db2.gz NNDKXZNEAUHKIL-GOSISDBHSA-N 1 1 385.533 3.403 20 30 GGEDMO CN1CC[N@@H+](CCCNC(=O)Nc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000248847409 1433825608 /nfs/dbraw/zinc/82/56/08/1433825608.db2.gz BDORRROVACIZIH-JOCHJYFZSA-N 1 1 391.519 3.253 20 30 GGEDMO C[N@@H+]1CCN(CCCNC(=O)Nc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000248847409 1433825609 /nfs/dbraw/zinc/82/56/09/1433825609.db2.gz BDORRROVACIZIH-JOCHJYFZSA-N 1 1 391.519 3.253 20 30 GGEDMO C[N@H+]1CCN(CCCNC(=O)Nc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000248847409 1433825610 /nfs/dbraw/zinc/82/56/10/1433825610.db2.gz BDORRROVACIZIH-JOCHJYFZSA-N 1 1 391.519 3.253 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000248864852 1433826591 /nfs/dbraw/zinc/82/65/91/1433826591.db2.gz ZMTLAVUSKSFMAR-LJQANCHMSA-N 1 1 385.895 3.164 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000249417954 1433843325 /nfs/dbraw/zinc/84/33/25/1433843325.db2.gz WPIFLWIIDMZRFO-JKSUJKDBSA-N 1 1 390.553 3.390 20 30 GGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000249417756 1433843332 /nfs/dbraw/zinc/84/33/32/1433843332.db2.gz GTNYBDUTEZMANO-MBOZVWFJSA-N 1 1 398.551 3.476 20 30 GGEDMO C#CC[N@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)[C@H]1CCc2ccccc21 ZINC000249731709 1433850252 /nfs/dbraw/zinc/85/02/52/1433850252.db2.gz UBISQEVQAPNOAK-OFNKIYASSA-N 1 1 378.472 3.007 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000249735516 1433850402 /nfs/dbraw/zinc/85/04/02/1433850402.db2.gz VUUYTYUKJQOGLA-FUHWJXTLSA-N 1 1 392.507 3.083 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000249735516 1433850403 /nfs/dbraw/zinc/85/04/03/1433850403.db2.gz VUUYTYUKJQOGLA-FUHWJXTLSA-N 1 1 392.507 3.083 20 30 GGEDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000250080322 1433854240 /nfs/dbraw/zinc/85/42/40/1433854240.db2.gz IFIDYYQWCKFURD-GPMSIDNRSA-N 1 1 394.437 3.157 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000253607653 1433870363 /nfs/dbraw/zinc/87/03/63/1433870363.db2.gz PMEAZZAIYKYDRS-HSZRJFAPSA-N 1 1 380.532 3.363 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000253607653 1433870364 /nfs/dbraw/zinc/87/03/64/1433870364.db2.gz PMEAZZAIYKYDRS-HSZRJFAPSA-N 1 1 380.532 3.363 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000253607653 1433870366 /nfs/dbraw/zinc/87/03/66/1433870366.db2.gz PMEAZZAIYKYDRS-HSZRJFAPSA-N 1 1 380.532 3.363 20 30 GGEDMO CN(C(=O)/C=C\c1ccccc1C#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000255130628 1433877110 /nfs/dbraw/zinc/87/71/10/1433877110.db2.gz UEZRLEAXMMPAOW-KWQVGVJHSA-N 1 1 394.563 3.367 20 30 GGEDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)c1 ZINC000255717039 1433888479 /nfs/dbraw/zinc/88/84/79/1433888479.db2.gz WEVHBZJOOUVWSF-LENZSSGSSA-N 1 1 375.472 3.485 20 30 GGEDMO C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000255955914 1433892721 /nfs/dbraw/zinc/89/27/21/1433892721.db2.gz MSAGXZHRPOXGEN-JKSUJKDBSA-N 1 1 381.442 3.477 20 30 GGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000255958810 1433892795 /nfs/dbraw/zinc/89/27/95/1433892795.db2.gz QMLATNNJCBGEHK-JKSUJKDBSA-N 1 1 381.442 3.477 20 30 GGEDMO C=CCc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000261938164 1433914152 /nfs/dbraw/zinc/91/41/52/1433914152.db2.gz KDPJWSKHVGKTGE-LJQANCHMSA-N 1 1 384.451 3.358 20 30 GGEDMO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261978466 1433918798 /nfs/dbraw/zinc/91/87/98/1433918798.db2.gz OGEAAYWBPOFVEY-IAQYHMDHSA-N 1 1 377.945 3.097 20 30 GGEDMO C[NH+]=C(NCc1nc(-c2ccc(OC)cc2)n[nH]1)N1CC[C@H](c2ccccc2)C1 ZINC000262502823 1433941532 /nfs/dbraw/zinc/94/15/32/1433941532.db2.gz YZSXXAUBJOGTMU-SFHVURJKSA-N 1 1 390.491 3.045 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC#Cc1ccccc1 ZINC000263694798 1434021959 /nfs/dbraw/zinc/02/19/59/1434021959.db2.gz LSSOGYWNPAFHCQ-QFIPXVFZSA-N 1 1 376.504 3.129 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1C ZINC000263714321 1434024535 /nfs/dbraw/zinc/02/45/35/1434024535.db2.gz KSOSUVYXLSUGPU-HXUWFJFHSA-N 1 1 398.551 3.034 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1C ZINC000263714321 1434024537 /nfs/dbraw/zinc/02/45/37/1434024537.db2.gz KSOSUVYXLSUGPU-HXUWFJFHSA-N 1 1 398.551 3.034 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000263954871 1434052944 /nfs/dbraw/zinc/05/29/44/1434052944.db2.gz GRJOZFHQOMFIRN-FQEVSTJZSA-N 1 1 398.551 3.484 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000263954875 1434052994 /nfs/dbraw/zinc/05/29/94/1434052994.db2.gz GRJOZFHQOMFIRN-HXUWFJFHSA-N 1 1 398.551 3.484 20 30 GGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000263966719 1434054708 /nfs/dbraw/zinc/05/47/08/1434054708.db2.gz NKDVBUMOMKRACY-FQEVSTJZSA-N 1 1 398.551 3.342 20 30 GGEDMO C[N@@H+](CCOc1cccc(CNC(=O)C2(C#N)CCCCC2)c1)C1CCOCC1 ZINC000263973944 1434056038 /nfs/dbraw/zinc/05/60/38/1434056038.db2.gz YIJJGLZKUVBXRJ-UHFFFAOYSA-N 1 1 399.535 3.266 20 30 GGEDMO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000263994745 1434059079 /nfs/dbraw/zinc/05/90/79/1434059079.db2.gz LGOUEXMHOOUGDO-UHFFFAOYSA-N 1 1 392.503 3.157 20 30 GGEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000263994745 1434059081 /nfs/dbraw/zinc/05/90/81/1434059081.db2.gz LGOUEXMHOOUGDO-UHFFFAOYSA-N 1 1 392.503 3.157 20 30 GGEDMO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000264006151 1434061101 /nfs/dbraw/zinc/06/11/01/1434061101.db2.gz SUGCDVICTCELAK-UHFFFAOYSA-N 1 1 399.498 3.401 20 30 GGEDMO Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000264006151 1434061106 /nfs/dbraw/zinc/06/11/06/1434061106.db2.gz SUGCDVICTCELAK-UHFFFAOYSA-N 1 1 399.498 3.401 20 30 GGEDMO N#Cc1ccc(SCC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000264025176 1434063590 /nfs/dbraw/zinc/06/35/90/1434063590.db2.gz SVGCLGNBDGWOQG-UHFFFAOYSA-N 1 1 381.501 3.164 20 30 GGEDMO N#CCOc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000264048712 1434066260 /nfs/dbraw/zinc/06/62/60/1434066260.db2.gz DNYSXQLQJHHLTG-LJQANCHMSA-N 1 1 378.476 3.275 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(OCC#N)cc1 ZINC000264134044 1434074534 /nfs/dbraw/zinc/07/45/34/1434074534.db2.gz NEYSTDFGGJRTFK-UHFFFAOYSA-N 1 1 380.448 3.008 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(OCC#N)cc1 ZINC000264134044 1434074537 /nfs/dbraw/zinc/07/45/37/1434074537.db2.gz NEYSTDFGGJRTFK-UHFFFAOYSA-N 1 1 380.448 3.008 20 30 GGEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3ccc(C#N)cc3)CC2)c1C ZINC000264165800 1434077491 /nfs/dbraw/zinc/07/74/91/1434077491.db2.gz VCBHLDGTRPDEBF-UHFFFAOYSA-N 1 1 392.503 3.315 20 30 GGEDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000264449725 1434114210 /nfs/dbraw/zinc/11/42/10/1434114210.db2.gz CSDHUGWRGKKKHV-IBGZPJMESA-N 1 1 395.528 3.301 20 30 GGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000264460234 1434115806 /nfs/dbraw/zinc/11/58/06/1434115806.db2.gz PNCOLEYWTWSLIU-DLBZAZTESA-N 1 1 379.460 3.357 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000264467092 1434116501 /nfs/dbraw/zinc/11/65/01/1434116501.db2.gz MGASOLKCHDOZAT-HOTGVXAUSA-N 1 1 389.521 3.104 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000264467092 1434116504 /nfs/dbraw/zinc/11/65/04/1434116504.db2.gz MGASOLKCHDOZAT-HOTGVXAUSA-N 1 1 389.521 3.104 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000264467095 1434116539 /nfs/dbraw/zinc/11/65/39/1434116539.db2.gz MGASOLKCHDOZAT-HZPDHXFCSA-N 1 1 389.521 3.104 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000264467095 1434116543 /nfs/dbraw/zinc/11/65/43/1434116543.db2.gz MGASOLKCHDOZAT-HZPDHXFCSA-N 1 1 389.521 3.104 20 30 GGEDMO COc1ccc([C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccc(F)cc2)cc1 ZINC000264621618 1434136110 /nfs/dbraw/zinc/13/61/10/1434136110.db2.gz ODUZTNDXUPZOES-JOCHJYFZSA-N 1 1 394.450 3.169 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265848144 1434272380 /nfs/dbraw/zinc/27/23/80/1434272380.db2.gz PEJFNCLNDLHUJV-BFYDXBDKSA-N 1 1 386.496 3.120 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265848144 1434272381 /nfs/dbraw/zinc/27/23/81/1434272381.db2.gz PEJFNCLNDLHUJV-BFYDXBDKSA-N 1 1 386.496 3.120 20 30 GGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265876423 1434276733 /nfs/dbraw/zinc/27/67/33/1434276733.db2.gz WZBIIPDZAUESTE-CRAIPNDOSA-N 1 1 386.496 3.122 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC3(CCOCC3)C2)c(OC)c1 ZINC000265985619 1434292705 /nfs/dbraw/zinc/29/27/05/1434292705.db2.gz CXAWTXVQZDDEPB-IBGZPJMESA-N 1 1 375.509 3.056 20 30 GGEDMO COCCCOC1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000266021435 1434297053 /nfs/dbraw/zinc/29/70/53/1434297053.db2.gz WMFHCPZSFNLCCJ-UHFFFAOYSA-N 1 1 387.524 3.068 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC3(C2)CCOCC3)ccc1Cl ZINC000266600715 1434353165 /nfs/dbraw/zinc/35/31/65/1434353165.db2.gz CYPDJIGJFHUVCX-UHFFFAOYSA-N 1 1 375.900 3.398 20 30 GGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000266613888 1434354572 /nfs/dbraw/zinc/35/45/72/1434354572.db2.gz CWKCKDCNMRWMKL-UHFFFAOYSA-N 1 1 394.500 3.004 20 30 GGEDMO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000266613888 1434354574 /nfs/dbraw/zinc/35/45/74/1434354574.db2.gz CWKCKDCNMRWMKL-UHFFFAOYSA-N 1 1 394.500 3.004 20 30 GGEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)C1 ZINC000266637780 1434357362 /nfs/dbraw/zinc/35/73/62/1434357362.db2.gz KFUNJDHGFXLBES-GOSISDBHSA-N 1 1 393.487 3.491 20 30 GGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000266950022 1434391941 /nfs/dbraw/zinc/39/19/41/1434391941.db2.gz UECFVHRMYBXJSE-INIZCTEOSA-N 1 1 379.460 3.230 20 30 GGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000266950022 1434391944 /nfs/dbraw/zinc/39/19/44/1434391944.db2.gz UECFVHRMYBXJSE-INIZCTEOSA-N 1 1 379.460 3.230 20 30 GGEDMO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000266952392 1434392162 /nfs/dbraw/zinc/39/21/62/1434392162.db2.gz HJHJUOGBWJERGX-SIKLNZKXSA-N 1 1 395.503 3.256 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000266988577 1434396375 /nfs/dbraw/zinc/39/63/75/1434396375.db2.gz WTYPSAACMAEYBX-YLJYHZDGSA-N 1 1 398.894 3.216 20 30 GGEDMO CO[C@@H](C)c1nc(CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)cs1 ZINC000266998928 1434397490 /nfs/dbraw/zinc/39/74/90/1434397490.db2.gz GMDFROAVOSGFFI-RYUDHWBXSA-N 1 1 386.518 3.142 20 30 GGEDMO C[N@H+](CC(=O)Nc1sccc1C#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000267014905 1434398994 /nfs/dbraw/zinc/39/89/94/1434398994.db2.gz OJSNXFISSJWFMG-UHFFFAOYSA-N 1 1 380.514 3.041 20 30 GGEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000267014905 1434398999 /nfs/dbraw/zinc/39/89/99/1434398999.db2.gz OJSNXFISSJWFMG-UHFFFAOYSA-N 1 1 380.514 3.041 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)NC1CC[NH+](CCOC(C)C)CC1 ZINC000267067357 1434404806 /nfs/dbraw/zinc/40/48/06/1434404806.db2.gz RPWTUHPVJAEEMA-SFHVURJKSA-N 1 1 393.597 3.130 20 30 GGEDMO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000267069996 1434404968 /nfs/dbraw/zinc/40/49/68/1434404968.db2.gz QMMQXSUPOXLGGX-DLBZAZTESA-N 1 1 390.409 3.267 20 30 GGEDMO CCOc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)nc2nc(C(F)(F)F)nn21 ZINC000267091447 1434406863 /nfs/dbraw/zinc/40/68/63/1434406863.db2.gz UNHYWRVZDHKYLL-UHFFFAOYSA-N 1 1 390.369 3.045 20 30 GGEDMO CCOc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)nc2nc(C(F)(F)F)nn21 ZINC000267091447 1434406864 /nfs/dbraw/zinc/40/68/64/1434406864.db2.gz UNHYWRVZDHKYLL-UHFFFAOYSA-N 1 1 390.369 3.045 20 30 GGEDMO COCCCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000267112823 1434408401 /nfs/dbraw/zinc/40/84/01/1434408401.db2.gz XZZCEULYEKZXRK-UHFFFAOYSA-N 1 1 386.517 3.261 20 30 GGEDMO COCCCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000267112823 1434408403 /nfs/dbraw/zinc/40/84/03/1434408403.db2.gz XZZCEULYEKZXRK-UHFFFAOYSA-N 1 1 386.517 3.261 20 30 GGEDMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000267123882 1434409008 /nfs/dbraw/zinc/40/90/08/1434409008.db2.gz AWTYKXWRFOMLPL-ZDUSSCGKSA-N 1 1 383.427 3.091 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000267123882 1434409011 /nfs/dbraw/zinc/40/90/11/1434409011.db2.gz AWTYKXWRFOMLPL-ZDUSSCGKSA-N 1 1 383.427 3.091 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000267310989 1434421653 /nfs/dbraw/zinc/42/16/53/1434421653.db2.gz IEPYKJPIXVQXPO-AVRDEDQJSA-N 1 1 392.503 3.299 20 30 GGEDMO C#CCN(Cc1ccc(F)cc1)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000267414678 1434430496 /nfs/dbraw/zinc/43/04/96/1434430496.db2.gz PDKSLOAYQJUCNC-UHFFFAOYSA-N 1 1 395.482 3.046 20 30 GGEDMO C[C@@H]1C[N@H+](CCC2CCN(c3c(C#N)nnc4ccccc43)CC2)C[C@H](C)O1 ZINC000267421613 1434431071 /nfs/dbraw/zinc/43/10/71/1434431071.db2.gz UPXKKQDBKBZYEL-CALCHBBNSA-N 1 1 379.508 3.217 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1OC ZINC000267476900 1434438374 /nfs/dbraw/zinc/43/83/74/1434438374.db2.gz WVBKOISCQUUXPI-LJQANCHMSA-N 1 1 393.491 3.480 20 30 GGEDMO Cc1cc(C(=O)C(C(=S)NC2CCN(C)CC2)[n+]2ccccc2)ccc1F ZINC000267490889 1434440116 /nfs/dbraw/zinc/44/01/16/1434440116.db2.gz WOQONMGLFFLNRG-UHFFFAOYSA-O 1 1 386.516 3.044 20 30 GGEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000267548882 1434445039 /nfs/dbraw/zinc/44/50/39/1434445039.db2.gz OXHGLJPAUAEGGR-DYESRHJHSA-N 1 1 376.460 3.022 20 30 GGEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000267548882 1434445041 /nfs/dbraw/zinc/44/50/41/1434445041.db2.gz OXHGLJPAUAEGGR-DYESRHJHSA-N 1 1 376.460 3.022 20 30 GGEDMO COc1cc(F)c([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000267549287 1434445174 /nfs/dbraw/zinc/44/51/74/1434445174.db2.gz CLBZMVAQTFZHMP-ABAIWWIYSA-N 1 1 389.452 3.232 20 30 GGEDMO COc1cc(F)c([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000267549293 1434445266 /nfs/dbraw/zinc/44/52/66/1434445266.db2.gz CLBZMVAQTFZHMP-NHYWBVRUSA-N 1 1 389.452 3.232 20 30 GGEDMO C[C@H](c1cccc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1)[NH+]1CCOCC1 ZINC000267582627 1434447567 /nfs/dbraw/zinc/44/75/67/1434447567.db2.gz RHRLFKFSUWVBLK-VGSWGCGISA-N 1 1 390.487 3.169 20 30 GGEDMO C[C@H](c1cccc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1)[NH+]1CCOCC1 ZINC000267582623 1434447598 /nfs/dbraw/zinc/44/75/98/1434447598.db2.gz RHRLFKFSUWVBLK-VGOFRKELSA-N 1 1 390.487 3.169 20 30 GGEDMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC#Cc3ccccc3)c2C1 ZINC000267582838 1434447611 /nfs/dbraw/zinc/44/76/11/1434447611.db2.gz SUPVUXVDOVLWAY-SFHVURJKSA-N 1 1 389.499 3.153 20 30 GGEDMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC#Cc3ccccc3)c2C1 ZINC000267582835 1434447617 /nfs/dbraw/zinc/44/76/17/1434447617.db2.gz SUPVUXVDOVLWAY-GOSISDBHSA-N 1 1 389.499 3.153 20 30 GGEDMO C[C@@H](c1cccc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1)[NH+]1CCOCC1 ZINC000267582616 1434447626 /nfs/dbraw/zinc/44/76/26/1434447626.db2.gz RHRLFKFSUWVBLK-HTAPYJJXSA-N 1 1 390.487 3.169 20 30 GGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000267637301 1434451980 /nfs/dbraw/zinc/45/19/80/1434451980.db2.gz USRRYNBLCZSECG-AYBZRNKSSA-N 1 1 386.455 3.390 20 30 GGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000267637301 1434451982 /nfs/dbraw/zinc/45/19/82/1434451982.db2.gz USRRYNBLCZSECG-AYBZRNKSSA-N 1 1 386.455 3.390 20 30 GGEDMO N#CC1(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CCCCC1 ZINC000267700018 1434456441 /nfs/dbraw/zinc/45/64/41/1434456441.db2.gz ISUBBTGHGYTVHN-IBGZPJMESA-N 1 1 381.476 3.158 20 30 GGEDMO N#CC1(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CCCCC1 ZINC000267700018 1434456443 /nfs/dbraw/zinc/45/64/43/1434456443.db2.gz ISUBBTGHGYTVHN-IBGZPJMESA-N 1 1 381.476 3.158 20 30 GGEDMO C[C@@H]1C[N@H+](CCCCNC(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000268010546 1434486658 /nfs/dbraw/zinc/48/66/58/1434486658.db2.gz PFOMKCZSXWGLGQ-KDURUIRLSA-N 1 1 387.524 3.113 20 30 GGEDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000268314534 1434511422 /nfs/dbraw/zinc/51/14/22/1434511422.db2.gz YSDAZTSGEUPVNE-UHFFFAOYSA-N 1 1 381.476 3.318 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C3(C)OCCO3)CC2)c1C ZINC000268437955 1434522744 /nfs/dbraw/zinc/52/27/44/1434522744.db2.gz FNHUZDKRXDSHKQ-UHFFFAOYSA-N 1 1 385.508 3.025 20 30 GGEDMO C=CC[N@@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000268875316 1434566888 /nfs/dbraw/zinc/56/68/88/1434566888.db2.gz BAUGYIDBDLCMCW-GOSISDBHSA-N 1 1 378.538 3.006 20 30 GGEDMO C=CC[N@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000268875316 1434566891 /nfs/dbraw/zinc/56/68/91/1434566891.db2.gz BAUGYIDBDLCMCW-GOSISDBHSA-N 1 1 378.538 3.006 20 30 GGEDMO N#Cc1ccnc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268889422 1434567848 /nfs/dbraw/zinc/56/78/48/1434567848.db2.gz XWNWALKXRCJFNN-RTBURBONSA-N 1 1 377.448 3.352 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000269132626 1434595745 /nfs/dbraw/zinc/59/57/45/1434595745.db2.gz LQMAUQYXBJAQBC-YOEHRIQHSA-N 1 1 378.904 3.470 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(Cl)c1 ZINC000269146802 1434597457 /nfs/dbraw/zinc/59/74/57/1434597457.db2.gz PPYQBRDESDEMFV-MJGOQNOKSA-N 1 1 398.894 3.216 20 30 GGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(F)c1 ZINC000269448532 1434647437 /nfs/dbraw/zinc/64/74/37/1434647437.db2.gz VGHNPYSMTYHNTQ-UHFFFAOYSA-N 1 1 387.480 3.162 20 30 GGEDMO Cc1nc(C[NH+]2CCC(C(=O)NC3(c4cccc(C#N)c4)CC3)CC2)cs1 ZINC000269626981 1434664904 /nfs/dbraw/zinc/66/49/04/1434664904.db2.gz SXZQUXPYSSJJIF-UHFFFAOYSA-N 1 1 380.517 3.341 20 30 GGEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C#N)c1C ZINC000269663155 1434667828 /nfs/dbraw/zinc/66/78/28/1434667828.db2.gz UQDRTTGGJUGXEI-KRWDZBQOSA-N 1 1 383.448 3.093 20 30 GGEDMO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C#N)c1C ZINC000269663155 1434667829 /nfs/dbraw/zinc/66/78/29/1434667829.db2.gz UQDRTTGGJUGXEI-KRWDZBQOSA-N 1 1 383.448 3.093 20 30 GGEDMO CCOC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C#N ZINC000269866383 1434682590 /nfs/dbraw/zinc/68/25/90/1434682590.db2.gz WNOKZQDTDSAJCS-RDTXWAMCSA-N 1 1 385.468 3.075 20 30 GGEDMO C#CC[C@H](NC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000270118405 1434705179 /nfs/dbraw/zinc/70/51/79/1434705179.db2.gz JMJKFFONTPXZJG-SFTDATJTSA-N 1 1 390.487 3.022 20 30 GGEDMO C#CC[C@H](NC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000270118405 1434705185 /nfs/dbraw/zinc/70/51/85/1434705185.db2.gz JMJKFFONTPXZJG-SFTDATJTSA-N 1 1 390.487 3.022 20 30 GGEDMO C=C[C@@H](CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000270286567 1434719736 /nfs/dbraw/zinc/71/97/36/1434719736.db2.gz VVESMMGFQQMKMV-FQEVSTJZSA-N 1 1 391.515 3.050 20 30 GGEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000270352546 1434725667 /nfs/dbraw/zinc/72/56/67/1434725667.db2.gz QFAXQWHRQJECSI-MRXNPFEDSA-N 1 1 379.489 3.381 20 30 GGEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000270352546 1434725669 /nfs/dbraw/zinc/72/56/69/1434725669.db2.gz QFAXQWHRQJECSI-MRXNPFEDSA-N 1 1 379.489 3.381 20 30 GGEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c(C#N)c1C ZINC000270420198 1434731888 /nfs/dbraw/zinc/73/18/88/1434731888.db2.gz FZEFUZWKRKZXIN-INIZCTEOSA-N 1 1 377.448 3.221 20 30 GGEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c(C#N)c1C ZINC000270420198 1434731892 /nfs/dbraw/zinc/73/18/92/1434731892.db2.gz FZEFUZWKRKZXIN-INIZCTEOSA-N 1 1 377.448 3.221 20 30 GGEDMO CC(C)N1CC[NH+](C2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)CC1 ZINC000270687589 1434762235 /nfs/dbraw/zinc/76/22/35/1434762235.db2.gz ZPQCSOMNQWVXCV-QFIPXVFZSA-N 1 1 397.567 3.231 20 30 GGEDMO CC(C)(C)[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000270709410 1434764808 /nfs/dbraw/zinc/76/48/08/1434764808.db2.gz ZZTUMDQIWUCTQX-NHCUHLMSSA-N 1 1 398.551 3.369 20 30 GGEDMO CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000270709424 1434764920 /nfs/dbraw/zinc/76/49/20/1434764920.db2.gz ZZTUMDQIWUCTQX-SFTDATJTSA-N 1 1 398.551 3.369 20 30 GGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000270912445 1434787522 /nfs/dbraw/zinc/78/75/22/1434787522.db2.gz XLDLZABMPVFTGH-UHFFFAOYSA-N 1 1 388.512 3.191 20 30 GGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000270922953 1434788242 /nfs/dbraw/zinc/78/82/42/1434788242.db2.gz FOQNYGNFFDEOPQ-JXMROGBWSA-N 1 1 399.535 3.199 20 30 GGEDMO C[C@H](C(=O)c1c[nH]c2ncccc12)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000271133215 1434804003 /nfs/dbraw/zinc/80/40/03/1434804003.db2.gz VXXFVHDOKLLTBZ-QGZVFWFLSA-N 1 1 387.487 3.214 20 30 GGEDMO C[C@H](C(=O)c1c[nH]c2ncccc12)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000271133215 1434804006 /nfs/dbraw/zinc/80/40/06/1434804006.db2.gz VXXFVHDOKLLTBZ-QGZVFWFLSA-N 1 1 387.487 3.214 20 30 GGEDMO C=CCc1cc(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc(OC)c1O ZINC000271237171 1434810053 /nfs/dbraw/zinc/81/00/53/1434810053.db2.gz XADXWPAFRDYXLK-UHFFFAOYSA-N 1 1 387.568 3.120 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCc3cnccn3)sc2C1 ZINC000271354244 1434818601 /nfs/dbraw/zinc/81/86/01/1434818601.db2.gz PATYNEXRLZUBTR-AWEZNQCLSA-N 1 1 383.521 3.038 20 30 GGEDMO COC(=O)c1sc2[nH]c(C[NH2+][C@H](C)c3ccc(C#N)cc3)nc(=O)c2c1C ZINC000271676442 1434843373 /nfs/dbraw/zinc/84/33/73/1434843373.db2.gz OSJLQIQPBROKKH-LLVKDONJSA-N 1 1 382.445 3.214 20 30 GGEDMO COC1(C)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000271706852 1434845341 /nfs/dbraw/zinc/84/53/41/1434845341.db2.gz ILUMNXIDLQCNKZ-UHFFFAOYSA-N 1 1 394.519 3.464 20 30 GGEDMO CCOc1ccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c([N+](=O)[O-])c1 ZINC000271797342 1434851257 /nfs/dbraw/zinc/85/12/57/1434851257.db2.gz OKWRDSDXQAXPER-UHFFFAOYSA-N 1 1 380.404 3.083 20 30 GGEDMO COC(=O)c1sc2[nH]c(C[NH2+]C3(c4cccc(C#N)c4)CC3)nc(=O)c2c1C ZINC000271860744 1434855409 /nfs/dbraw/zinc/85/54/09/1434855409.db2.gz ZGBFAFMWFZCGEC-UHFFFAOYSA-N 1 1 394.456 3.143 20 30 GGEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917374 1434859166 /nfs/dbraw/zinc/85/91/66/1434859166.db2.gz ZGQWVRSROSMQKB-ZEYPLWLESA-N 1 1 379.504 3.123 20 30 GGEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917374 1434859167 /nfs/dbraw/zinc/85/91/67/1434859167.db2.gz ZGQWVRSROSMQKB-ZEYPLWLESA-N 1 1 379.504 3.123 20 30 GGEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000271993167 1434864319 /nfs/dbraw/zinc/86/43/19/1434864319.db2.gz FMFJACGKQJWBEC-LJQANCHMSA-N 1 1 377.488 3.447 20 30 GGEDMO C#CCC[NH+]1CCN(C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032247 1434867537 /nfs/dbraw/zinc/86/75/37/1434867537.db2.gz PHGUVPREFNHVLV-RPBOFIJWSA-N 1 1 392.543 3.103 20 30 GGEDMO Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1CCC#N ZINC000272081299 1434870773 /nfs/dbraw/zinc/87/07/73/1434870773.db2.gz LQSJZONZMDNQII-APWZRJJASA-N 1 1 380.496 3.137 20 30 GGEDMO C[C@H](NC(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272204611 1434877853 /nfs/dbraw/zinc/87/78/53/1434877853.db2.gz DKGJSAJSWBVVSJ-RXVVDRJESA-N 1 1 377.488 3.158 20 30 GGEDMO COc1cc(C[NH2+]Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272240910 1434881016 /nfs/dbraw/zinc/88/10/16/1434881016.db2.gz APAYYGMXVGNSNG-UHFFFAOYSA-N 1 1 377.347 3.409 20 30 GGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@H]2C1 ZINC000272273441 1434883180 /nfs/dbraw/zinc/88/31/80/1434883180.db2.gz CREMEFRKTKFXON-AEFFLSMTSA-N 1 1 381.505 3.163 20 30 GGEDMO Cn1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272294593 1434884968 /nfs/dbraw/zinc/88/49/68/1434884968.db2.gz OOPBDMMSCIZCSK-UHFFFAOYSA-N 1 1 385.471 3.222 20 30 GGEDMO Cc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272451181 1434897272 /nfs/dbraw/zinc/89/72/72/1434897272.db2.gz PQFZBSQGKPNJIQ-IEBWSBKVSA-N 1 1 380.496 3.137 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000272489325 1434899937 /nfs/dbraw/zinc/89/99/37/1434899937.db2.gz MYERYLLTXXHGLU-DOTOQJQBSA-N 1 1 386.496 3.122 20 30 GGEDMO CC(=O)N1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CCCCC2 ZINC000272492560 1434900160 /nfs/dbraw/zinc/90/01/60/1434900160.db2.gz URRJNCZKGLZMRP-UHFFFAOYSA-N 1 1 391.519 3.326 20 30 GGEDMO C[C@](C#N)(NC(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1)C1CC1 ZINC000272816120 1434933315 /nfs/dbraw/zinc/93/33/15/1434933315.db2.gz HWDGUPBQZZNKDT-TZIWHRDSSA-N 1 1 382.895 3.417 20 30 GGEDMO C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1=CC[N@@H+](C)CC1 ZINC000272904751 1434940040 /nfs/dbraw/zinc/94/00/40/1434940040.db2.gz CSOJFRPVMTWZAW-CQSZACIVSA-N 1 1 381.505 3.377 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000273024144 1434951627 /nfs/dbraw/zinc/95/16/27/1434951627.db2.gz UFQJXZSSBNFCJC-KRWDZBQOSA-N 1 1 382.508 3.273 20 30 GGEDMO CC(C)[C@H]1C[C@@H](CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273039991 1434953837 /nfs/dbraw/zinc/95/38/37/1434953837.db2.gz ZIUUJJRTJXTKCF-FCHUYYIVSA-N 1 1 383.536 3.434 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)c2nccs2)c(OC)c1 ZINC000273097825 1434960599 /nfs/dbraw/zinc/96/05/99/1434960599.db2.gz VAABYDMRWGQXPW-NVXWUHKLSA-N 1 1 376.522 3.355 20 30 GGEDMO CC(=O)c1ccc(C#N)c(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000273169071 1434968537 /nfs/dbraw/zinc/96/85/37/1434968537.db2.gz DNJXBPDFQXKQJV-NRFANRHFSA-N 1 1 390.487 3.070 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000273318935 1434980435 /nfs/dbraw/zinc/98/04/35/1434980435.db2.gz OWXJOPXIGJKNHD-NNCILOIOSA-N 1 1 390.574 3.361 20 30 GGEDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2OC)n1 ZINC000273379033 1434984566 /nfs/dbraw/zinc/98/45/66/1434984566.db2.gz MPYSEVBRVGMKLE-CQSZACIVSA-N 1 1 394.431 3.355 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000273382197 1434984911 /nfs/dbraw/zinc/98/49/11/1434984911.db2.gz IQCVFLLIYUECOJ-UHFFFAOYSA-N 1 1 397.410 3.345 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000273382197 1434984913 /nfs/dbraw/zinc/98/49/13/1434984913.db2.gz IQCVFLLIYUECOJ-UHFFFAOYSA-N 1 1 397.410 3.345 20 30 GGEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273392085 1434985684 /nfs/dbraw/zinc/98/56/84/1434985684.db2.gz FJMYIFGICYZQOK-LEWJYISDSA-N 1 1 381.451 3.166 20 30 GGEDMO CC[C@H]1CN(C(=O)Nc2cc(C)n(CCC#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000273847688 1435021068 /nfs/dbraw/zinc/02/10/68/1435021068.db2.gz MYZZDKJQXFZJLS-IBGZPJMESA-N 1 1 380.496 3.234 20 30 GGEDMO Cc1nc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)[C@@H](C)CO3)no2)ccc1C#N ZINC000274088075 1435042663 /nfs/dbraw/zinc/04/26/63/1435042663.db2.gz RUJDEPPCVKVJJW-IFXJQAMLSA-N 1 1 375.432 3.274 20 30 GGEDMO Cc1nc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)[C@@H](C)CO3)no2)ccc1C#N ZINC000274088075 1435042664 /nfs/dbraw/zinc/04/26/64/1435042664.db2.gz RUJDEPPCVKVJJW-IFXJQAMLSA-N 1 1 375.432 3.274 20 30 GGEDMO Cc1nc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)[C@@H](C)CO3)no2)ccc1C#N ZINC000274088077 1435042688 /nfs/dbraw/zinc/04/26/88/1435042688.db2.gz RUJDEPPCVKVJJW-LIRRHRJNSA-N 1 1 375.432 3.274 20 30 GGEDMO Cc1nc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)[C@@H](C)CO3)no2)ccc1C#N ZINC000274088077 1435042689 /nfs/dbraw/zinc/04/26/89/1435042689.db2.gz RUJDEPPCVKVJJW-LIRRHRJNSA-N 1 1 375.432 3.274 20 30 GGEDMO CC1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1O ZINC000275396196 1435136439 /nfs/dbraw/zinc/13/64/39/1435136439.db2.gz DGBXKSOLCHNYRH-KRWDZBQOSA-N 1 1 375.538 3.310 20 30 GGEDMO Cc1cc(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)nn1CCC#N ZINC000275900817 1435178455 /nfs/dbraw/zinc/17/84/55/1435178455.db2.gz UALKTBDCYFTRQN-UHFFFAOYSA-N 1 1 384.509 3.298 20 30 GGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 ZINC000275991097 1435184374 /nfs/dbraw/zinc/18/43/74/1435184374.db2.gz GFEMQYHCDPPXHM-PXNSSMCTSA-N 1 1 379.508 3.054 20 30 GGEDMO N#CCCCOc1cccnc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000276057930 1435188259 /nfs/dbraw/zinc/18/82/59/1435188259.db2.gz JXVSKYJZNXTMHG-UHFFFAOYSA-N 1 1 399.520 3.218 20 30 GGEDMO CCOCCOCC[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000276234358 1435199274 /nfs/dbraw/zinc/19/92/74/1435199274.db2.gz LDVFBLCODZKDDG-INIZCTEOSA-N 1 1 379.526 3.004 20 30 GGEDMO CCOCCOCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000276234358 1435199275 /nfs/dbraw/zinc/19/92/75/1435199275.db2.gz LDVFBLCODZKDDG-INIZCTEOSA-N 1 1 379.526 3.004 20 30 GGEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277142061 1435267613 /nfs/dbraw/zinc/26/76/13/1435267613.db2.gz DWLCWSMVUYKJJT-RBUKOAKNSA-N 1 1 382.464 3.096 20 30 GGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277142061 1435267616 /nfs/dbraw/zinc/26/76/16/1435267616.db2.gz DWLCWSMVUYKJJT-RBUKOAKNSA-N 1 1 382.464 3.096 20 30 GGEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277142065 1435267679 /nfs/dbraw/zinc/26/76/79/1435267679.db2.gz DWLCWSMVUYKJJT-RTBURBONSA-N 1 1 382.464 3.096 20 30 GGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277142065 1435267685 /nfs/dbraw/zinc/26/76/85/1435267685.db2.gz DWLCWSMVUYKJJT-RTBURBONSA-N 1 1 382.464 3.096 20 30 GGEDMO N#CCOc1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000277418277 1435303217 /nfs/dbraw/zinc/30/32/17/1435303217.db2.gz GYUQQYZNRVOAON-NRFANRHFSA-N 1 1 394.475 3.002 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(CC(=O)Nc3cccc(Cl)c3Cl)no2)CC1 ZINC000277759204 1435327947 /nfs/dbraw/zinc/32/79/47/1435327947.db2.gz BORDZLVGJHIHJE-UHFFFAOYSA-N 1 1 393.274 3.370 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(CC(=O)Nc3cc(Cl)ccc3Cl)no2)CC1 ZINC000277840793 1435335088 /nfs/dbraw/zinc/33/50/88/1435335088.db2.gz LHHNEXGKSRQQLP-UHFFFAOYSA-N 1 1 393.274 3.370 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949206 1435344931 /nfs/dbraw/zinc/34/49/31/1435344931.db2.gz ZVVXMZVECRQQFD-MLGOLLRUSA-N 1 1 389.805 3.175 20 30 GGEDMO CCOC1CC(CNc2ccc(C#N)c(C(F)(F)F)c2)([NH+]2CCOCC2)C1 ZINC000278112655 1435360765 /nfs/dbraw/zinc/36/07/65/1435360765.db2.gz XMLICBDZDWLQGP-UHFFFAOYSA-N 1 1 383.414 3.259 20 30 GGEDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000278401743 1435387812 /nfs/dbraw/zinc/38/78/12/1435387812.db2.gz WQBSZJBMRXPMPX-KNQAVFIVSA-N 1 1 380.488 3.071 20 30 GGEDMO Cc1c[nH+]ccc1OC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000278521816 1435396837 /nfs/dbraw/zinc/39/68/37/1435396837.db2.gz CQJWSXROHCJAPI-UHFFFAOYSA-N 1 1 396.516 3.488 20 30 GGEDMO COc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1OCCCC#N ZINC000278683791 1435413793 /nfs/dbraw/zinc/41/37/93/1435413793.db2.gz OAGMVQWCHBNREJ-SFHVURJKSA-N 1 1 387.524 3.063 20 30 GGEDMO CC(C)C[N@@H+]1CCC[C@H](CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278701978 1435415200 /nfs/dbraw/zinc/41/52/00/1435415200.db2.gz QWMAVSWJHWLJSN-LJQANCHMSA-N 1 1 380.540 3.316 20 30 GGEDMO CC(C)C[N@H+]1CCC[C@H](CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278701978 1435415201 /nfs/dbraw/zinc/41/52/01/1435415201.db2.gz QWMAVSWJHWLJSN-LJQANCHMSA-N 1 1 380.540 3.316 20 30 GGEDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278765722 1435421556 /nfs/dbraw/zinc/42/15/56/1435421556.db2.gz XSONRRMUBDPYOY-UHFFFAOYSA-N 1 1 392.419 3.065 20 30 GGEDMO C=CCc1cc(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc(OC)c1O ZINC000278766982 1435421863 /nfs/dbraw/zinc/42/18/63/1435421863.db2.gz OJPIFYKTIITDOT-CQSZACIVSA-N 1 1 379.464 3.469 20 30 GGEDMO Cc1sc(NC(=O)CN2CCC(Oc3cc[nH+]cc3C)CC2)c(C#N)c1C ZINC000278786660 1435423551 /nfs/dbraw/zinc/42/35/51/1435423551.db2.gz ZYKJIACWLKNXAN-UHFFFAOYSA-N 1 1 384.505 3.422 20 30 GGEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000278796088 1435424474 /nfs/dbraw/zinc/42/44/74/1435424474.db2.gz YQZZZVMBOWMKKB-MRXNPFEDSA-N 1 1 382.426 3.122 20 30 GGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000278878739 1435434504 /nfs/dbraw/zinc/43/45/04/1435434504.db2.gz YHEOHNQQTRANNK-UHFFFAOYSA-N 1 1 380.448 3.045 20 30 GGEDMO N#Cc1cccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)on2)c1 ZINC000279001932 1435450687 /nfs/dbraw/zinc/45/06/87/1435450687.db2.gz RPNLVCLOTOHKLB-SFHVURJKSA-N 1 1 376.416 3.373 20 30 GGEDMO C=C(C)[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000279117303 1435461963 /nfs/dbraw/zinc/46/19/63/1435461963.db2.gz WOPOFGZYDFYIDV-QRWLVFNGSA-N 1 1 393.478 3.477 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000279117302 1435462002 /nfs/dbraw/zinc/46/20/02/1435462002.db2.gz WOPOFGZYDFYIDV-MGPUTAFESA-N 1 1 393.478 3.477 20 30 GGEDMO C#CCn1ccc(CN(CC)C(=O)Nc2ccccc2C[NH+]2CCSCC2)n1 ZINC000279187095 1435468699 /nfs/dbraw/zinc/46/86/99/1435468699.db2.gz WAZBCSYXYRNAIQ-UHFFFAOYSA-N 1 1 397.548 3.119 20 30 GGEDMO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000279237737 1435475493 /nfs/dbraw/zinc/47/54/93/1435475493.db2.gz FNXASVQIXCVTLJ-FQEVSTJZSA-N 1 1 387.487 3.021 20 30 GGEDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279370724 1435491972 /nfs/dbraw/zinc/49/19/72/1435491972.db2.gz IXFGGOYMGFAXGZ-MRXNPFEDSA-N 1 1 398.511 3.204 20 30 GGEDMO COCC[N@H+](Cc1ccc(C)o1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279435126 1435499190 /nfs/dbraw/zinc/49/91/90/1435499190.db2.gz QTULUEHFDRKNTD-UHFFFAOYSA-N 1 1 379.464 3.409 20 30 GGEDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279435126 1435499192 /nfs/dbraw/zinc/49/91/92/1435499192.db2.gz QTULUEHFDRKNTD-UHFFFAOYSA-N 1 1 379.464 3.409 20 30 GGEDMO C[N@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](c2ccccc2)C1 ZINC000279488780 1435504986 /nfs/dbraw/zinc/50/49/86/1435504986.db2.gz XSOWAFCIWIFVLQ-QFIPXVFZSA-N 1 1 386.503 3.347 20 30 GGEDMO C[N@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H](c2ccccc2)C1 ZINC000279488775 1435505052 /nfs/dbraw/zinc/50/50/52/1435505052.db2.gz XSOWAFCIWIFVLQ-JOCHJYFZSA-N 1 1 386.503 3.347 20 30 GGEDMO N#CCCn1cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c(-c2ccncc2)n1 ZINC000279497559 1435505900 /nfs/dbraw/zinc/50/59/00/1435505900.db2.gz YWXXXMDEUKDXSX-UHFFFAOYSA-N 1 1 391.397 3.202 20 30 GGEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000279565026 1435513634 /nfs/dbraw/zinc/51/36/34/1435513634.db2.gz PEIQBAZEOGCEPE-QHCPKHFHSA-N 1 1 398.510 3.290 20 30 GGEDMO N#Cc1cccc(-c2cc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)on2)c1 ZINC000279571221 1435514341 /nfs/dbraw/zinc/51/43/41/1435514341.db2.gz VXTMBXDFTXIRCS-XLIONFOSSA-N 1 1 376.460 3.302 20 30 GGEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)n1 ZINC000279696143 1435531217 /nfs/dbraw/zinc/53/12/17/1435531217.db2.gz IFLMQNBIQLODGW-UZLBHIALSA-N 1 1 375.900 3.130 20 30 GGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)n1 ZINC000279696143 1435531221 /nfs/dbraw/zinc/53/12/21/1435531221.db2.gz IFLMQNBIQLODGW-UZLBHIALSA-N 1 1 375.900 3.130 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000279781271 1435542243 /nfs/dbraw/zinc/54/22/43/1435542243.db2.gz FOHHEUBZFLNSQL-RBBKRZOGSA-N 1 1 391.515 3.101 20 30 GGEDMO C#CCn1ccc(C[N@H+](CC)CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000279803999 1435545264 /nfs/dbraw/zinc/54/52/64/1435545264.db2.gz WZSZYFMXPUWHAP-UHFFFAOYSA-N 1 1 395.532 3.179 20 30 GGEDMO C#CCn1ccc(C[N@@H+](CC)CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000279803999 1435545267 /nfs/dbraw/zinc/54/52/67/1435545267.db2.gz WZSZYFMXPUWHAP-UHFFFAOYSA-N 1 1 395.532 3.179 20 30 GGEDMO N#CCOc1cccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000279912191 1435561788 /nfs/dbraw/zinc/56/17/88/1435561788.db2.gz FIDGTCPFCZNAQF-KDURUIRLSA-N 1 1 376.460 3.185 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000279980927 1435572055 /nfs/dbraw/zinc/57/20/55/1435572055.db2.gz JQABXLLZTIMVGY-DHIUTWEWSA-N 1 1 386.499 3.267 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000279980934 1435572061 /nfs/dbraw/zinc/57/20/61/1435572061.db2.gz JQABXLLZTIMVGY-PKTZIBPZSA-N 1 1 386.499 3.267 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000279980937 1435572159 /nfs/dbraw/zinc/57/21/59/1435572159.db2.gz JQABXLLZTIMVGY-XZOQPEGZSA-N 1 1 386.499 3.267 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@](C)(O)CC3)sc2C1 ZINC000280086661 1435589855 /nfs/dbraw/zinc/58/98/55/1435589855.db2.gz OFAIAVIBTXDTTN-XOBRGWDASA-N 1 1 375.538 3.310 20 30 GGEDMO COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)sc1C ZINC000280249090 1435618429 /nfs/dbraw/zinc/61/84/29/1435618429.db2.gz BXGZSOVMDYXFHN-INIZCTEOSA-N 1 1 398.488 3.276 20 30 GGEDMO COC(=O)c1nc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)sc1C ZINC000280249090 1435618438 /nfs/dbraw/zinc/61/84/38/1435618438.db2.gz BXGZSOVMDYXFHN-INIZCTEOSA-N 1 1 398.488 3.276 20 30 GGEDMO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H](CC(N)=O)c1ccccc1 ZINC000280266118 1435621784 /nfs/dbraw/zinc/62/17/84/1435621784.db2.gz CMGQYRDZMSQCJE-LJQANCHMSA-N 1 1 398.894 3.135 20 30 GGEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H](CC(N)=O)c1ccccc1 ZINC000280266118 1435621785 /nfs/dbraw/zinc/62/17/85/1435621785.db2.gz CMGQYRDZMSQCJE-LJQANCHMSA-N 1 1 398.894 3.135 20 30 GGEDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000280636491 1435694825 /nfs/dbraw/zinc/69/48/25/1435694825.db2.gz XUTQMXYFEJSPMR-QFIPXVFZSA-N 1 1 398.507 3.447 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280703198 1435706431 /nfs/dbraw/zinc/70/64/31/1435706431.db2.gz AQBUXBONKUYNQB-KBXCAEBGSA-N 1 1 384.867 3.225 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280703198 1435706435 /nfs/dbraw/zinc/70/64/35/1435706435.db2.gz AQBUXBONKUYNQB-KBXCAEBGSA-N 1 1 384.867 3.225 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280709148 1435707420 /nfs/dbraw/zinc/70/74/20/1435707420.db2.gz JCZWLNHAHPNOOH-GDBMZVCRSA-N 1 1 391.821 3.036 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccnn3-c3ccccc3)CC2)cc1 ZINC000280936907 1435744652 /nfs/dbraw/zinc/74/46/52/1435744652.db2.gz WIQFSUJWJCQSKF-UHFFFAOYSA-N 1 1 385.471 3.092 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccnn3-c3ccccc3)CC2)cc1 ZINC000280936907 1435744657 /nfs/dbraw/zinc/74/46/57/1435744657.db2.gz WIQFSUJWJCQSKF-UHFFFAOYSA-N 1 1 385.471 3.092 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280976324 1435750100 /nfs/dbraw/zinc/75/01/00/1435750100.db2.gz RXWXTOJDVMMPIS-COPCDDAFSA-N 1 1 378.520 3.354 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280976346 1435750256 /nfs/dbraw/zinc/75/02/56/1435750256.db2.gz RXWXTOJDVMMPIS-STZQEDGTSA-N 1 1 378.520 3.354 20 30 GGEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000281012127 1435756080 /nfs/dbraw/zinc/75/60/80/1435756080.db2.gz QYRGGJFXHRVGMU-UHFFFAOYSA-N 1 1 383.377 3.241 20 30 GGEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000281088855 1435771880 /nfs/dbraw/zinc/77/18/80/1435771880.db2.gz PVILIRPGQBJHIZ-QFBILLFUSA-N 1 1 375.538 3.338 20 30 GGEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000281131791 1435781265 /nfs/dbraw/zinc/78/12/65/1435781265.db2.gz XTFJORZUTKJECX-SFHVURJKSA-N 1 1 384.524 3.122 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000281142802 1435783747 /nfs/dbraw/zinc/78/37/47/1435783747.db2.gz ZIACQMDOFOKLBK-JOCHJYFZSA-N 1 1 392.503 3.236 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000281142802 1435783748 /nfs/dbraw/zinc/78/37/48/1435783748.db2.gz ZIACQMDOFOKLBK-JOCHJYFZSA-N 1 1 392.503 3.236 20 30 GGEDMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1)c1ccccc1 ZINC000281150967 1435785150 /nfs/dbraw/zinc/78/51/50/1435785150.db2.gz PIBJFHQUDVUSML-HXUWFJFHSA-N 1 1 399.498 3.444 20 30 GGEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c(C#N)c1C ZINC000281193818 1435793074 /nfs/dbraw/zinc/79/30/74/1435793074.db2.gz RNGNPPXOSCTIDX-INIZCTEOSA-N 1 1 396.516 3.160 20 30 GGEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c(C#N)c1C ZINC000281193818 1435793083 /nfs/dbraw/zinc/79/30/83/1435793083.db2.gz RNGNPPXOSCTIDX-INIZCTEOSA-N 1 1 396.516 3.160 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000281226895 1435799346 /nfs/dbraw/zinc/79/93/46/1435799346.db2.gz OQEFUIWISXVBJZ-QFIPXVFZSA-N 1 1 391.515 3.374 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000281352865 1435805119 /nfs/dbraw/zinc/80/51/19/1435805119.db2.gz DQDIUNJSHRIPJA-FVJLSDCUSA-N 1 1 399.535 3.083 20 30 GGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000281393911 1435806975 /nfs/dbraw/zinc/80/69/75/1435806975.db2.gz NBFGMYOPDLPKFV-JXIYXGQPSA-N 1 1 375.900 3.412 20 30 GGEDMO C=C(C)[C@@H]([NH2+]Cc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccc(F)c(F)c1 ZINC000281432957 1435808818 /nfs/dbraw/zinc/80/88/18/1435808818.db2.gz YWNRKUGIJPEWKD-LJQANCHMSA-N 1 1 397.491 3.230 20 30 GGEDMO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281443296 1435809104 /nfs/dbraw/zinc/80/91/04/1435809104.db2.gz MHWNYPGDYMILOS-UHFFFAOYSA-N 1 1 378.904 3.128 20 30 GGEDMO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@H](C)C1 ZINC000281451502 1435809514 /nfs/dbraw/zinc/80/95/14/1435809514.db2.gz AHKZHXYBXDTTOX-UZLBHIALSA-N 1 1 394.519 3.463 20 30 GGEDMO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@H](C)C1 ZINC000281451502 1435809515 /nfs/dbraw/zinc/80/95/15/1435809515.db2.gz AHKZHXYBXDTTOX-UZLBHIALSA-N 1 1 394.519 3.463 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000281473286 1435810344 /nfs/dbraw/zinc/81/03/44/1435810344.db2.gz HLIDPSDPKWGAMW-TYPHKJRUSA-N 1 1 386.540 3.059 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281698838 1435818753 /nfs/dbraw/zinc/81/87/53/1435818753.db2.gz NQUKMBTTYCTBKL-OAQYLSRUSA-N 1 1 384.501 3.163 20 30 GGEDMO COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)ccc1C#N ZINC000281823005 1435823180 /nfs/dbraw/zinc/82/31/80/1435823180.db2.gz XCTQHFGXORBWID-INIZCTEOSA-N 1 1 382.483 3.309 20 30 GGEDMO N#CC1(CCC[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CCOCC1 ZINC000281971106 1435829215 /nfs/dbraw/zinc/82/92/15/1435829215.db2.gz LDIWQPJGPBEJCL-UHFFFAOYSA-N 1 1 393.890 3.337 20 30 GGEDMO N#CC1(CCC[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)CCOCC1 ZINC000282094810 1435834350 /nfs/dbraw/zinc/83/43/50/1435834350.db2.gz VMATZUKVVBYSPO-UHFFFAOYSA-N 1 1 375.900 3.198 20 30 GGEDMO N#CC1(CCC[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)CCOCC1 ZINC000282103207 1435834713 /nfs/dbraw/zinc/83/47/13/1435834713.db2.gz WFWMBTMCXKHCQP-UHFFFAOYSA-N 1 1 389.927 3.127 20 30 GGEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000282120809 1435835460 /nfs/dbraw/zinc/83/54/60/1435835460.db2.gz XTNLISHPTORJCM-UHFFFAOYSA-N 1 1 395.463 3.029 20 30 GGEDMO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000282157569 1435836787 /nfs/dbraw/zinc/83/67/87/1435836787.db2.gz CQCKWUDEWHBCTM-SFHVURJKSA-N 1 1 399.539 3.220 20 30 GGEDMO C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000282245538 1435839948 /nfs/dbraw/zinc/83/99/48/1435839948.db2.gz KJDPEEUAFLHEBS-XLIONFOSSA-N 1 1 397.523 3.145 20 30 GGEDMO C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000282245541 1435839977 /nfs/dbraw/zinc/83/99/77/1435839977.db2.gz KJDPEEUAFLHEBS-YLJYHZDGSA-N 1 1 397.523 3.145 20 30 GGEDMO C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000282254373 1435840241 /nfs/dbraw/zinc/84/02/41/1435840241.db2.gz LDZJZRHVEOCYAK-UHFFFAOYSA-N 1 1 399.587 3.274 20 30 GGEDMO C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000282263613 1435840712 /nfs/dbraw/zinc/84/07/12/1435840712.db2.gz LSZJAKHAPILPTR-IBGZPJMESA-N 1 1 394.523 3.083 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000282475262 1435848520 /nfs/dbraw/zinc/84/85/20/1435848520.db2.gz DVYXVCXMUOPVBX-OAQYLSRUSA-N 1 1 399.498 3.338 20 30 GGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)NCc1ccc(C#N)cc1 ZINC000282513980 1435849775 /nfs/dbraw/zinc/84/97/75/1435849775.db2.gz OVZYYQRGMXTSCK-JOCHJYFZSA-N 1 1 390.531 3.065 20 30 GGEDMO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000282513980 1435849776 /nfs/dbraw/zinc/84/97/76/1435849776.db2.gz OVZYYQRGMXTSCK-JOCHJYFZSA-N 1 1 390.531 3.065 20 30 GGEDMO CCCC[N@@H+](C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 ZINC000282602199 1435853333 /nfs/dbraw/zinc/85/33/33/1435853333.db2.gz YINMOAOIVGDMIB-UHFFFAOYSA-N 1 1 396.539 3.214 20 30 GGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000282605185 1435853399 /nfs/dbraw/zinc/85/33/99/1435853399.db2.gz 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20 30 GGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000284385679 1436017743 /nfs/dbraw/zinc/01/77/43/1436017743.db2.gz IBVJIUXTPLEZMC-IBGZPJMESA-N 1 1 398.551 3.066 20 30 GGEDMO C[N@H+]1CCN(CC(=O)Nc2ccccc2SCC#N)C[C@H]1Cc1ccccc1 ZINC000284729914 1436044162 /nfs/dbraw/zinc/04/41/62/1436044162.db2.gz JZKLARKAOOIXGV-LJQANCHMSA-N 1 1 394.544 3.099 20 30 GGEDMO C[N@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000284746909 1436046015 /nfs/dbraw/zinc/04/60/15/1436046015.db2.gz LHPJDMUFNPWBHI-IBGZPJMESA-N 1 1 382.895 3.009 20 30 GGEDMO C[C@H]([NH2+]CC=CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000824584887 1449904915 /nfs/dbraw/zinc/90/49/15/1449904915.db2.gz IXYRIIPHWTVJSQ-RYTMFUSVSA-N 1 1 387.491 3.296 20 30 GGEDMO C=CCNC(=O)c1cccnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624357 719097126 /nfs/dbraw/zinc/09/71/26/719097126.db2.gz FMFBOGYDJDXVIW-CTNGQTDRSA-N 1 1 376.504 3.098 20 30 GGEDMO 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CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(C#N)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833379 720512925 /nfs/dbraw/zinc/51/29/25/720512925.db2.gz DLCPJXCNSRARRR-ZIFCJYIRSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(Cl)c(C#N)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839042 720514269 /nfs/dbraw/zinc/51/42/69/720514269.db2.gz SDYUOGYXAYMGBD-JTDSTZFVSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(Cl)c3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839098 720522074 /nfs/dbraw/zinc/52/20/74/720522074.db2.gz SSGHYSPEZNAPIN-JTDSTZFVSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccc(Cl)c3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839099 720522390 /nfs/dbraw/zinc/52/23/90/720522390.db2.gz SSGHYSPEZNAPIN-TXPKVOOTSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)cc(C#N)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835811 720532539 /nfs/dbraw/zinc/53/25/39/720532539.db2.gz HWOOIDQJRAKATK-AYOQOUSVSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c(C#N)c[nH]c4n3)CC[C@@H]21 ZINC001164840757 720556605 /nfs/dbraw/zinc/55/66/05/720556605.db2.gz SRQHHVAXYXFLPX-QRFRQXIXSA-N 1 1 389.507 3.009 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(Cl)cc3C#N)CC[C@@H]21 ZINC001164835941 720579671 /nfs/dbraw/zinc/57/96/71/720579671.db2.gz CXTSASFMHOQLGO-WDSOQIARSA-N 1 1 384.915 3.181 20 30 GGEDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1CC#N ZINC001164836182 720616441 /nfs/dbraw/zinc/61/64/41/720616441.db2.gz FDDYOXCCYPIMTR-NJDAHSKKSA-N 1 1 378.524 3.030 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164841807 720669789 /nfs/dbraw/zinc/66/97/89/720669789.db2.gz QGKMISVZISNDBY-QGZVFWFLSA-N 1 1 397.910 3.262 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(F)cc1C#N)CC2 ZINC001164843282 720671558 /nfs/dbraw/zinc/67/15/58/720671558.db2.gz VUQICPBVUIUAIU-HXUWFJFHSA-N 1 1 380.467 3.352 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164843242 720672400 /nfs/dbraw/zinc/67/24/00/720672400.db2.gz VSWNPBDSUGCEON-KRWDZBQOSA-N 1 1 397.910 3.262 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc(Cl)c1C#N)CC2 ZINC001164838195 720672788 /nfs/dbraw/zinc/67/27/88/720672788.db2.gz GGGQNSYWQWSXDL-KRWDZBQOSA-N 1 1 397.910 3.262 20 30 GGEDMO Cc1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C=NO)c1 ZINC001164842324 720704790 /nfs/dbraw/zinc/70/47/90/720704790.db2.gz YHEYTAGUXPSVPE-NRFANRHFSA-N 1 1 394.519 3.458 20 30 GGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3ccc(C#N)cc31)[C@H]2C ZINC001164857616 720936801 /nfs/dbraw/zinc/93/68/01/720936801.db2.gz GQGQNGHIGALCEN-HNNXBMFYSA-N 1 1 375.480 3.119 20 30 GGEDMO CCCc1cc(C#N)c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164762831 721151403 /nfs/dbraw/zinc/15/14/03/721151403.db2.gz DUYOCSATNWNBKU-IEBWSBKVSA-N 1 1 398.942 3.251 20 30 GGEDMO N#Cc1cnc2cnc(Cl)cc2c1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164784052 721395614 /nfs/dbraw/zinc/39/56/14/721395614.db2.gz IZWPEUCYOUKBCU-ZIAGYGMSSA-N 1 1 396.907 3.180 20 30 GGEDMO N#Cc1cnc2cnc(Cl)cc2c1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784044 721396138 /nfs/dbraw/zinc/39/61/38/721396138.db2.gz IZWPEUCYOUKBCU-OKILXGFUSA-N 1 1 396.907 3.180 20 30 GGEDMO N#Cc1cnc2cnc(Cl)cc2c1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784044 721396141 /nfs/dbraw/zinc/39/61/41/721396141.db2.gz IZWPEUCYOUKBCU-OKILXGFUSA-N 1 1 396.907 3.180 20 30 GGEDMO N#Cc1cc(Cl)c(Cl)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164788875 721410840 /nfs/dbraw/zinc/41/08/40/721410840.db2.gz SIPWSRXXSRMERW-RYUDHWBXSA-N 1 1 380.304 3.285 20 30 GGEDMO COc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1C#N ZINC001164793959 721489661 /nfs/dbraw/zinc/48/96/61/721489661.db2.gz ZBOCYFJWIIFAFY-UHFFFAOYSA-N 1 1 377.492 3.238 20 30 GGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164793588 721491875 /nfs/dbraw/zinc/49/18/75/721491875.db2.gz SZXCSEXJHAXUPD-UHFFFAOYSA-N 1 1 382.899 3.278 20 30 GGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164792107 721491922 /nfs/dbraw/zinc/49/19/22/721491922.db2.gz GTBMDYOGLXVLCQ-UHFFFAOYSA-N 1 1 382.899 3.278 20 30 GGEDMO COc1cc(C#N)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164791537 721495926 /nfs/dbraw/zinc/49/59/26/721495926.db2.gz DCQQOQGCFOHMAC-UHFFFAOYSA-N 1 1 377.492 3.238 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc(C#N)cc32)[C@H]2CCCO[C@H]12 ZINC001164807792 721547446 /nfs/dbraw/zinc/54/74/46/721547446.db2.gz RHMALZIDQCKCRM-ZRBLBEILSA-N 1 1 399.498 3.370 20 30 GGEDMO N#Cc1c2c(cnc1N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164911325 721567290 /nfs/dbraw/zinc/56/72/90/721567290.db2.gz YXQAHKWOGRSFOB-QUCCMNQESA-N 1 1 392.478 3.313 20 30 GGEDMO COc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1C#N ZINC001164906158 721584099 /nfs/dbraw/zinc/58/40/99/721584099.db2.gz ZDPFDUPJZCJMFG-FQEVSTJZSA-N 1 1 399.445 3.095 20 30 GGEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(CC#N)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164811403 721586565 /nfs/dbraw/zinc/58/65/65/721586565.db2.gz XMUWBXHNEJZKME-VAMGGRTRSA-N 1 1 397.910 3.064 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(CC#N)cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164811403 721586567 /nfs/dbraw/zinc/58/65/67/721586567.db2.gz XMUWBXHNEJZKME-VAMGGRTRSA-N 1 1 397.910 3.064 20 30 GGEDMO Cc1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164905522 721586741 /nfs/dbraw/zinc/58/67/41/721586741.db2.gz JQXVGXFOAWSEKY-FQEVSTJZSA-N 1 1 383.446 3.394 20 30 GGEDMO N#Cc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1F ZINC001164908609 721703884 /nfs/dbraw/zinc/70/38/84/721703884.db2.gz YIIIEGQJFMYCTN-LJQANCHMSA-N 1 1 387.409 3.225 20 30 GGEDMO COc1cc(C#N)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164904859 721708418 /nfs/dbraw/zinc/70/84/18/721708418.db2.gz DNSOSCMOAVCQEV-FQEVSTJZSA-N 1 1 399.445 3.095 20 30 GGEDMO N#Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(F)c1 ZINC001164908273 721715579 /nfs/dbraw/zinc/71/55/79/721715579.db2.gz WUDSFZXWRDZYJC-IBGZPJMESA-N 1 1 387.409 3.225 20 30 GGEDMO COc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1C#N ZINC001164909363 721744799 /nfs/dbraw/zinc/74/47/99/721744799.db2.gz PNHXOOAZKOKCDE-UHFFFAOYSA-N 1 1 389.459 3.145 20 30 GGEDMO COc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1C#N ZINC001164909363 721744802 /nfs/dbraw/zinc/74/48/02/721744802.db2.gz PNHXOOAZKOKCDE-UHFFFAOYSA-N 1 1 389.459 3.145 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1C#N)C2 ZINC001164907826 721748997 /nfs/dbraw/zinc/74/89/97/721748997.db2.gz BEXWDZSZLTVYRH-UHFFFAOYSA-N 1 1 394.866 3.184 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ncc1C#N)C2 ZINC001164907826 721749002 /nfs/dbraw/zinc/74/90/02/721749002.db2.gz BEXWDZSZLTVYRH-UHFFFAOYSA-N 1 1 394.866 3.184 20 30 GGEDMO COc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1C#N ZINC001165025407 721799660 /nfs/dbraw/zinc/79/96/60/721799660.db2.gz NYVWUYCEJNHHMY-VDGAXYAQSA-N 1 1 377.492 3.094 20 30 GGEDMO COc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1C#N ZINC001165025404 721799786 /nfs/dbraw/zinc/79/97/86/721799786.db2.gz NYVWUYCEJNHHMY-DBVUQKKJSA-N 1 1 377.492 3.094 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cnc3C#N)C[C@@H]21 ZINC001165027720 721805403 /nfs/dbraw/zinc/80/54/03/721805403.db2.gz XMMNCHNVWOZAQB-UWWQBHOKSA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ncc3C#N)C[C@@H]21 ZINC001165025499 721805477 /nfs/dbraw/zinc/80/54/77/721805477.db2.gz OQQALVAIDCERAF-JCGIZDLHSA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)cc3C#N)C[C@H]21 ZINC001165024677 721806290 /nfs/dbraw/zinc/80/62/90/721806290.db2.gz MQYHUVFQOYXWLR-ZTFGCOKTSA-N 1 1 382.899 3.134 20 30 GGEDMO COc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165018692 721808529 /nfs/dbraw/zinc/80/85/29/721808529.db2.gz BYBIBTSOSACUMA-DBVUQKKJSA-N 1 1 377.492 3.094 20 30 GGEDMO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165025115 721813312 /nfs/dbraw/zinc/81/33/12/721813312.db2.gz LKSMCEYYQACZNH-SNRMKQJTSA-N 1 1 396.926 3.442 20 30 GGEDMO COc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)cc1C#N ZINC001165023117 721822042 /nfs/dbraw/zinc/82/20/42/721822042.db2.gz HLZKZYAKKJGTQT-QKYXUNIQSA-N 1 1 395.482 3.233 20 30 GGEDMO C=CC[NH+]1CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001165031826 721870332 /nfs/dbraw/zinc/87/03/32/721870332.db2.gz AYKUTLZDVQRUTM-UHFFFAOYSA-N 1 1 397.592 3.474 20 30 GGEDMO Cc1ccc2nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c(C#N)c(Cl)c2c1 ZINC001164930601 721890857 /nfs/dbraw/zinc/89/08/57/721890857.db2.gz CDRRFVREVDMMBP-MOPGFXCFSA-N 1 1 383.927 3.283 20 30 GGEDMO Cc1ccc2nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c(C#N)c(Cl)c2c1 ZINC001164930601 721890859 /nfs/dbraw/zinc/89/08/59/721890859.db2.gz CDRRFVREVDMMBP-MOPGFXCFSA-N 1 1 383.927 3.283 20 30 GGEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c12 ZINC001164935706 721890902 /nfs/dbraw/zinc/89/09/02/721890902.db2.gz WTJZYWDFJMYLBI-ZWKOTPCHSA-N 1 1 383.927 3.283 20 30 GGEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c12 ZINC001164935706 721890906 /nfs/dbraw/zinc/89/09/06/721890906.db2.gz WTJZYWDFJMYLBI-ZWKOTPCHSA-N 1 1 383.927 3.283 20 30 GGEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165042705 721925222 /nfs/dbraw/zinc/92/52/22/721925222.db2.gz FYEMJFJXBPECPF-INIZCTEOSA-N 1 1 399.882 3.095 20 30 GGEDMO COc1cc(C#N)nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164939358 721926717 /nfs/dbraw/zinc/92/67/17/721926717.db2.gz JWQDHNQUJWFWLE-UHFFFAOYSA-N 1 1 392.503 3.142 20 30 GGEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165043283 721926782 /nfs/dbraw/zinc/92/67/82/721926782.db2.gz IFDPCGRZGGKOLO-LBPRGKRZSA-N 1 1 392.837 3.339 20 30 GGEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(CC#N)ccn4)CC3)C2)cc1 ZINC001164939118 721928640 /nfs/dbraw/zinc/92/86/40/721928640.db2.gz JEYBJCXXDOQAPE-UHFFFAOYSA-N 1 1 376.504 3.328 20 30 GGEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C#N)cc4F)CC3)C2)cc1 ZINC001164940255 721928949 /nfs/dbraw/zinc/92/89/49/721928949.db2.gz UIZREUGVBKEFBX-UHFFFAOYSA-N 1 1 380.467 3.272 20 30 GGEDMO Cc1c(Cl)c(Cl)nc(N2CC[NH+](CCc3ccccn3)CC2)c1C#N ZINC001165053860 722010059 /nfs/dbraw/zinc/01/00/59/722010059.db2.gz NIOPYYYTKSTYIO-UHFFFAOYSA-N 1 1 376.291 3.328 20 30 GGEDMO C=CCOc1cc(C)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952224 722018391 /nfs/dbraw/zinc/01/83/91/722018391.db2.gz JUBJCFANVBMIEX-UHFFFAOYSA-N 1 1 379.508 3.237 20 30 GGEDMO N#Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc12 ZINC001164984990 722139740 /nfs/dbraw/zinc/13/97/40/722139740.db2.gz YRYKVFBCNKSDLT-AUSIDOKSSA-N 1 1 399.498 3.229 20 30 GGEDMO Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)cc1C#N ZINC001164971112 722155574 /nfs/dbraw/zinc/15/55/74/722155574.db2.gz AQTVUQRVBQOHEE-YLJYHZDGSA-N 1 1 397.910 3.037 20 30 GGEDMO COc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(F)cc1C#N ZINC001164995922 722207374 /nfs/dbraw/zinc/20/73/74/722207374.db2.gz PXTBMQSRIXSHDW-OAQYLSRUSA-N 1 1 384.430 3.485 20 30 GGEDMO COc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(F)cc1C#N ZINC001164995922 722207375 /nfs/dbraw/zinc/20/73/75/722207375.db2.gz PXTBMQSRIXSHDW-OAQYLSRUSA-N 1 1 384.430 3.485 20 30 GGEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(Br)n1 ZINC000823914423 946514144 /nfs/dbraw/zinc/51/41/44/946514144.db2.gz IMXLOXOOADTBQP-UHFFFAOYSA-N 1 1 385.269 3.212 20 30 GGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(Br)n1 ZINC000823914423 946514147 /nfs/dbraw/zinc/51/41/47/946514147.db2.gz IMXLOXOOADTBQP-UHFFFAOYSA-N 1 1 385.269 3.212 20 30 GGEDMO CC(C)[C@@H]1CN(c2c(C#N)cccc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC001574099472 949174292 /nfs/dbraw/zinc/17/42/92/949174292.db2.gz KXSZAWGEJXUPEV-FQEVSTJZSA-N 1 1 387.491 3.085 20 30 GGEDMO C[C@]12C[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001599884680 989535408 /nfs/dbraw/zinc/53/54/08/989535408.db2.gz BIPFPCLRYCQUFP-GIWBLDEGSA-N 1 1 375.472 3.138 20 30 GGEDMO C[C@]12C[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001599884680 989535414 /nfs/dbraw/zinc/53/54/14/989535414.db2.gz BIPFPCLRYCQUFP-GIWBLDEGSA-N 1 1 375.472 3.138 20 30 GGEDMO C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001599884680 989535423 /nfs/dbraw/zinc/53/54/23/989535423.db2.gz BIPFPCLRYCQUFP-GIWBLDEGSA-N 1 1 375.472 3.138 20 30 GGEDMO C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001599884680 989535434 /nfs/dbraw/zinc/53/54/34/989535434.db2.gz BIPFPCLRYCQUFP-GIWBLDEGSA-N 1 1 375.472 3.138 20 30 GGEDMO C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598472825 992054903 /nfs/dbraw/zinc/05/49/03/992054903.db2.gz UOHLOJRHLHYYMS-OAQYLSRUSA-N 1 1 378.476 3.317 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000014249805 207018416 /nfs/dbraw/zinc/01/84/16/207018416.db2.gz NZAUUYNVUCHKIU-CYBMUJFWSA-N 1 1 385.851 3.442 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000014249805 207018420 /nfs/dbraw/zinc/01/84/20/207018420.db2.gz NZAUUYNVUCHKIU-CYBMUJFWSA-N 1 1 385.851 3.442 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCOC2)c1C#N ZINC000079020422 208069345 /nfs/dbraw/zinc/06/93/45/208069345.db2.gz FDVOUGZHIWEEHM-INIZCTEOSA-N 1 1 384.455 3.012 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000095469114 208191432 /nfs/dbraw/zinc/19/14/32/208191432.db2.gz ZPJKDSMEPZEVRL-UHFFFAOYSA-N 1 1 389.434 3.270 20 30 GGEDMO COc1ccc([C@H](CNS(=O)(=O)c2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000016084747 221357836 /nfs/dbraw/zinc/35/78/36/221357836.db2.gz HYNBGCJCZSJCGO-NRFANRHFSA-N 1 1 399.516 3.072 20 30 GGEDMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000023220082 564323258 /nfs/dbraw/zinc/32/32/58/564323258.db2.gz UANOQJZYTGHZIA-UHFFFAOYSA-N 1 1 394.313 3.102 20 30 GGEDMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)NC1(C#N)CCCCC1 ZINC000023220082 564323259 /nfs/dbraw/zinc/32/32/59/564323259.db2.gz UANOQJZYTGHZIA-UHFFFAOYSA-N 1 1 394.313 3.102 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cncc(Br)c3)CC2)cc1 ZINC000029712080 564372717 /nfs/dbraw/zinc/37/27/17/564372717.db2.gz KOUCREHHRJJSLH-UHFFFAOYSA-N 1 1 385.309 3.424 20 30 GGEDMO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000046517940 564503760 /nfs/dbraw/zinc/50/37/60/564503760.db2.gz SPNBGCIQMPNYIB-UHFFFAOYSA-N 1 1 386.293 3.411 20 30 GGEDMO CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046517940 564503763 /nfs/dbraw/zinc/50/37/63/564503763.db2.gz SPNBGCIQMPNYIB-UHFFFAOYSA-N 1 1 386.293 3.411 20 30 GGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125633532 564521018 /nfs/dbraw/zinc/52/10/18/564521018.db2.gz CACYBNGJPKRMFQ-ZWKOTPCHSA-N 1 1 375.266 3.020 20 30 GGEDMO C=CCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000129984865 564667166 /nfs/dbraw/zinc/66/71/66/564667166.db2.gz SMECVHWSGFURBG-UHFFFAOYSA-N 1 1 376.444 3.119 20 30 GGEDMO C=CCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000129984865 564667171 /nfs/dbraw/zinc/66/71/71/564667171.db2.gz SMECVHWSGFURBG-UHFFFAOYSA-N 1 1 376.444 3.119 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000058560627 564685412 /nfs/dbraw/zinc/68/54/12/564685412.db2.gz VJEVCBHBWGPAOW-MRXNPFEDSA-N 1 1 395.937 3.389 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)cc1OC ZINC000130958446 564696717 /nfs/dbraw/zinc/69/67/17/564696717.db2.gz NIUDJPRWDUNREQ-IPQOISQHSA-N 1 1 390.343 3.221 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)cc1OC ZINC000130958446 564696723 /nfs/dbraw/zinc/69/67/23/564696723.db2.gz NIUDJPRWDUNREQ-IPQOISQHSA-N 1 1 390.343 3.221 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)cc1OC ZINC000130958237 564696911 /nfs/dbraw/zinc/69/69/11/564696911.db2.gz NIUDJPRWDUNREQ-YTEVENLXSA-N 1 1 390.343 3.221 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)cc1OC ZINC000130958237 564696914 /nfs/dbraw/zinc/69/69/14/564696914.db2.gz NIUDJPRWDUNREQ-YTEVENLXSA-N 1 1 390.343 3.221 20 30 GGEDMO C=CCOc1ccc(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)cc1Cl ZINC000093320548 564884896 /nfs/dbraw/zinc/88/48/96/564884896.db2.gz BDUTWUOIQSSBRD-UHFFFAOYSA-N 1 1 386.945 3.151 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1OC ZINC000093808897 564890599 /nfs/dbraw/zinc/89/05/99/564890599.db2.gz JGQPTNHOGNCWJK-ZDUSSCGKSA-N 1 1 397.313 3.110 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1OC ZINC000093808897 564890600 /nfs/dbraw/zinc/89/06/00/564890600.db2.gz JGQPTNHOGNCWJK-ZDUSSCGKSA-N 1 1 397.313 3.110 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000106861634 564989969 /nfs/dbraw/zinc/98/99/69/564989969.db2.gz RFOJNZQTZFFLOJ-RDTXWAMCSA-N 1 1 380.330 3.366 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000106861639 564990319 /nfs/dbraw/zinc/99/03/19/564990319.db2.gz RFOJNZQTZFFLOJ-KSSFIOAISA-N 1 1 380.330 3.366 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000154032393 565022810 /nfs/dbraw/zinc/02/28/10/565022810.db2.gz SEWJQADJUWGIKW-UHFFFAOYSA-N 1 1 384.977 3.127 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c(Br)c1 ZINC000371543366 565200126 /nfs/dbraw/zinc/20/01/26/565200126.db2.gz NVYPYDKPAAWDSS-HNNXBMFYSA-N 1 1 379.298 3.338 20 30 GGEDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000372810723 565255059 /nfs/dbraw/zinc/25/50/59/565255059.db2.gz WCFBNTFNOOIMST-FUHWJXTLSA-N 1 1 389.297 3.142 20 30 GGEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000372807901 565255589 /nfs/dbraw/zinc/25/55/89/565255589.db2.gz RXQKRRQCLQJIGL-HNNXBMFYSA-N 1 1 379.298 3.338 20 30 GGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1ccccc1Br ZINC000295314323 565258789 /nfs/dbraw/zinc/25/87/89/565258789.db2.gz LLNIGOYYKXRSID-QZTJIDSGSA-N 1 1 375.266 3.020 20 30 GGEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000186859935 565291979 /nfs/dbraw/zinc/29/19/79/565291979.db2.gz HTJYVEAOUKTQKB-CQSZACIVSA-N 1 1 375.519 3.124 20 30 GGEDMO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000272827220 565298403 /nfs/dbraw/zinc/29/84/03/565298403.db2.gz KHEGPMXHOWDTBJ-UHFFFAOYSA-N 1 1 384.841 3.199 20 30 GGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H](O)c1cccc(Br)c1 ZINC000298463008 565415516 /nfs/dbraw/zinc/41/55/16/565415516.db2.gz RSAYIPGWQKXXAT-ROUUACIJSA-N 1 1 375.266 3.020 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000171537594 565436105 /nfs/dbraw/zinc/43/61/05/565436105.db2.gz RISIUYBRUSVGHU-UHFFFAOYSA-N 1 1 382.835 3.288 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000171537826 565436259 /nfs/dbraw/zinc/43/62/59/565436259.db2.gz LDDOYRUEGQVANC-UHFFFAOYSA-N 1 1 382.835 3.288 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000171537473 565436380 /nfs/dbraw/zinc/43/63/80/565436380.db2.gz CYHPXEPAQAMSCE-UHFFFAOYSA-N 1 1 382.835 3.288 20 30 GGEDMO C=C(C)C[NH+]1CCC(NCc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000171546643 565437497 /nfs/dbraw/zinc/43/74/97/565437497.db2.gz GIOKHZXXLVZJSJ-UHFFFAOYSA-N 1 1 381.314 3.350 20 30 GGEDMO CCN1CC[NH+](Cc2ccc(CNc3snc(Cl)c3C#N)cc2)CC1 ZINC000301540809 565493873 /nfs/dbraw/zinc/49/38/73/565493873.db2.gz SAAZHNGSMHIQNC-UHFFFAOYSA-N 1 1 375.929 3.418 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277628689 565511052 /nfs/dbraw/zinc/51/10/52/565511052.db2.gz BBJJYKPKBUWRGD-BXUZGUMPSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277628689 565511057 /nfs/dbraw/zinc/51/10/57/565511057.db2.gz BBJJYKPKBUWRGD-BXUZGUMPSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(Br)c1 ZINC000277766539 565518392 /nfs/dbraw/zinc/51/83/92/565518392.db2.gz MRRKISVOEUFQOK-GXTWGEPZSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(Br)c1 ZINC000277766539 565518395 /nfs/dbraw/zinc/51/83/95/565518395.db2.gz MRRKISVOEUFQOK-GXTWGEPZSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000391193424 565560609 /nfs/dbraw/zinc/56/06/09/565560609.db2.gz ZXIBZQBQXZYTDI-UHFFFAOYSA-N 1 1 397.269 3.023 20 30 GGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752944 565576718 /nfs/dbraw/zinc/57/67/18/565576718.db2.gz XEKMXGNEGZTWFG-UMVBOHGHSA-N 1 1 377.286 3.187 20 30 GGEDMO C[N@H+](Cc1cc(Br)cs1)C[C@@H](O)COc1ccccc1C#N ZINC000314721954 565587342 /nfs/dbraw/zinc/58/73/42/565587342.db2.gz UUNJCVUPEMHJNX-CQSZACIVSA-N 1 1 381.295 3.254 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000408072973 565593756 /nfs/dbraw/zinc/59/37/56/565593756.db2.gz JPPBHHNZCLFSMT-LZWOXQAQSA-N 1 1 381.929 3.238 20 30 GGEDMO C[N@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccccc1C#N ZINC000320626440 565603355 /nfs/dbraw/zinc/60/33/55/565603355.db2.gz CWQSCQJIVKUSKX-QGZVFWFLSA-N 1 1 375.266 3.192 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1ccccc1C#N ZINC000321565506 565605849 /nfs/dbraw/zinc/60/58/49/565605849.db2.gz NFNWXGZSVSPNDM-KRWDZBQOSA-N 1 1 375.266 3.192 20 30 GGEDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(C#N)ccc1Br)CC2 ZINC000191794338 565633357 /nfs/dbraw/zinc/63/33/57/565633357.db2.gz IKFQIESVCVDBCI-IRXDYDNUSA-N 1 1 379.298 3.073 20 30 GGEDMO N#Cc1ccc(Br)c(CN2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000191812982 565634775 /nfs/dbraw/zinc/63/47/75/565634775.db2.gz HZZAIVSVRHXYOS-UHFFFAOYSA-N 1 1 386.293 3.344 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000328757321 565640453 /nfs/dbraw/zinc/64/04/53/565640453.db2.gz UYOMDHYECNMZNR-HZPDHXFCSA-N 1 1 394.313 3.243 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C[N@H+]1C1CC1 ZINC000328808999 565641980 /nfs/dbraw/zinc/64/19/80/565641980.db2.gz MJTGGBLQJPGRJY-FTGAXOIBSA-N 1 1 398.276 3.151 20 30 GGEDMO C[N@@H+](CC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCSC1 ZINC000328821475 565643831 /nfs/dbraw/zinc/64/38/31/565643831.db2.gz QJNRAJQWIJKFCL-DZGCQCFKSA-N 1 1 381.929 3.229 20 30 GGEDMO N#CCC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)CC1CC1 ZINC000174698958 565652153 /nfs/dbraw/zinc/65/21/53/565652153.db2.gz SAMHVHJKTUSKNP-AWEZNQCLSA-N 1 1 387.705 3.468 20 30 GGEDMO N#CCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)CC1CC1 ZINC000174698958 565652156 /nfs/dbraw/zinc/65/21/56/565652156.db2.gz SAMHVHJKTUSKNP-AWEZNQCLSA-N 1 1 387.705 3.468 20 30 GGEDMO COc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc(OC)c1Br ZINC000329213238 565659701 /nfs/dbraw/zinc/65/97/01/565659701.db2.gz JCONBBBVAQUYEZ-CHWSQXEVSA-N 1 1 398.301 3.228 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc3nccnc3c2Br)CC[N@H+]1C ZINC000329418079 565665784 /nfs/dbraw/zinc/66/57/84/565665784.db2.gz GELWGTJASKVBLR-GHMZBOCLSA-N 1 1 378.274 3.201 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Br)cn1 ZINC000280318338 565666285 /nfs/dbraw/zinc/66/62/85/565666285.db2.gz GWNPZSVADMALEE-CYBMUJFWSA-N 1 1 379.302 3.180 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3nccnc3c2Br)CC[N@H+]1C ZINC000329418080 565666544 /nfs/dbraw/zinc/66/65/44/565666544.db2.gz GELWGTJASKVBLR-MNOVXSKESA-N 1 1 378.274 3.201 20 30 GGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2CO)sc2c1CCCCC2 ZINC000329682830 565675707 /nfs/dbraw/zinc/67/57/07/565675707.db2.gz YUDLJMMWCXEYMP-CYBMUJFWSA-N 1 1 379.551 3.276 20 30 GGEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000329833378 565681956 /nfs/dbraw/zinc/68/19/56/565681956.db2.gz GLLICNBPDFTSLW-INIZCTEOSA-N 1 1 387.307 3.329 20 30 GGEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1 ZINC000329833378 565681961 /nfs/dbraw/zinc/68/19/61/565681961.db2.gz GLLICNBPDFTSLW-INIZCTEOSA-N 1 1 387.307 3.329 20 30 GGEDMO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cn2)c(C#N)c1C ZINC000280633438 565686262 /nfs/dbraw/zinc/68/62/62/565686262.db2.gz XNXGVEZNXBYCPU-SNVBAGLBSA-N 1 1 377.242 3.215 20 30 GGEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCc2cc(Br)ccc21 ZINC000330173198 565695432 /nfs/dbraw/zinc/69/54/32/565695432.db2.gz HDDWZFNVWAWRFM-HIFRSBDPSA-N 1 1 375.270 3.152 20 30 GGEDMO Cc1cc(NC(=O)CNC(=O)[C@H]2CCC[N@H+]2C2CC2)ccc1Br ZINC000330216165 565697328 /nfs/dbraw/zinc/69/73/28/565697328.db2.gz HNJLRVWQQKQHCK-OAHLLOKOSA-N 1 1 380.286 3.279 20 30 GGEDMO Cc1cc(Br)cc2c1CN(C([O-])=[NH+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330201129 565697537 /nfs/dbraw/zinc/69/75/37/565697537.db2.gz XIFQHQYXYIDPAW-OAHLLOKOSA-N 1 1 389.297 3.241 20 30 GGEDMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1Cl ZINC000330182420 565697596 /nfs/dbraw/zinc/69/75/96/565697596.db2.gz OYTCURWUCTWYGY-GJZGRUSLSA-N 1 1 383.901 3.408 20 30 GGEDMO CCOc1c(Cl)cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1Cl ZINC000330541365 565710823 /nfs/dbraw/zinc/71/08/23/565710823.db2.gz AFQCDOALAHRZGR-VXGBXAGGSA-N 1 1 390.311 3.325 20 30 GGEDMO CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC[N@H+]1C[C@H](C)O ZINC000330664153 565718123 /nfs/dbraw/zinc/71/81/23/565718123.db2.gz XYGVOIFZWIMJGC-WCQYABFASA-N 1 1 390.311 3.325 20 30 GGEDMO COc1cc(Br)c(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1OC ZINC000330720659 565720520 /nfs/dbraw/zinc/72/05/20/565720520.db2.gz XCIMQAFUPNGZJP-MNOVXSKESA-N 1 1 386.290 3.036 20 30 GGEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(Br)ccc2F)C1 ZINC000330760432 565721166 /nfs/dbraw/zinc/72/11/66/565721166.db2.gz ZQCQVBOQOWPNED-CYBMUJFWSA-N 1 1 388.281 3.271 20 30 GGEDMO CC[C@H]1CN(C(=O)Nc2cccc(C)c2Br)CC[N@H+]1C[C@H](C)O ZINC000330943903 565731181 /nfs/dbraw/zinc/73/11/81/565731181.db2.gz FVWMURBWWYXWDF-KBPBESRZSA-N 1 1 384.318 3.080 20 30 GGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1C ZINC000330957542 565732567 /nfs/dbraw/zinc/73/25/67/565732567.db2.gz CSAUATQLRCOYDP-OCCSQVGLSA-N 1 1 387.933 3.094 20 30 GGEDMO COC(=O)c1c(Br)ccc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1C ZINC000331098812 565738868 /nfs/dbraw/zinc/73/88/68/565738868.db2.gz DWNWVCHPAAXRHI-NEPJUHHUSA-N 1 1 398.301 3.114 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2Br)[C@H](C)C1 ZINC000331199933 565745956 /nfs/dbraw/zinc/74/59/56/565745956.db2.gz WFNLSRLZSFKNLY-GHMZBOCLSA-N 1 1 390.709 3.035 20 30 GGEDMO COCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCSC1 ZINC000411758998 565750202 /nfs/dbraw/zinc/75/02/02/565750202.db2.gz PHVBZHNJPCPRDO-INIZCTEOSA-N 1 1 381.929 3.384 20 30 GGEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000331286163 565751897 /nfs/dbraw/zinc/75/18/97/565751897.db2.gz HZMFCNNZTOYEOY-SNVBAGLBSA-N 1 1 378.275 3.455 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c(Br)c1 ZINC000412051411 565768477 /nfs/dbraw/zinc/76/84/77/565768477.db2.gz AGOBVUWZGXVEBL-INIZCTEOSA-N 1 1 376.298 3.298 20 30 GGEDMO N#Cc1cccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1Br ZINC000412310991 565781073 /nfs/dbraw/zinc/78/10/73/565781073.db2.gz FAFMRIZZQIGRNK-UHFFFAOYSA-N 1 1 376.298 3.269 20 30 GGEDMO C=CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1 ZINC000176988541 565820736 /nfs/dbraw/zinc/82/07/36/565820736.db2.gz JQQJTIKGJBSOSH-UHFFFAOYSA-N 1 1 383.823 3.168 20 30 GGEDMO N#Cc1c[nH]c(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c1 ZINC000412973346 565825512 /nfs/dbraw/zinc/82/55/12/565825512.db2.gz QFSJAJNHWZXOTN-UHFFFAOYSA-N 1 1 387.281 3.043 20 30 GGEDMO CC[C@@](C)(C#N)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412969052 565825619 /nfs/dbraw/zinc/82/56/19/565825619.db2.gz IKOQHFACUUZMDJ-SFHVURJKSA-N 1 1 378.314 3.470 20 30 GGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412970298 565825696 /nfs/dbraw/zinc/82/56/96/565825696.db2.gz CRLBFNCCFIKNEZ-MSOLQXFVSA-N 1 1 393.325 3.121 20 30 GGEDMO N#Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)c[nH]1 ZINC000412970365 565826166 /nfs/dbraw/zinc/82/61/66/565826166.db2.gz KUEGHTFFJJBDES-UHFFFAOYSA-N 1 1 387.281 3.043 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000332514973 565841909 /nfs/dbraw/zinc/84/19/09/565841909.db2.gz OEQHZSGMJXTUEO-OAHLLOKOSA-N 1 1 381.567 3.285 20 30 GGEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000332647359 565849922 /nfs/dbraw/zinc/84/99/22/565849922.db2.gz SUNQUXXZFWZXCU-LSDHHAIUSA-N 1 1 377.286 3.411 20 30 GGEDMO C=CCn1c(=O)c2ccc(Cl)cc2nc1SCCC[NH+]1CCOCC1 ZINC000195333511 565876996 /nfs/dbraw/zinc/87/69/96/565876996.db2.gz GFAOKGNJXANYHG-UHFFFAOYSA-N 1 1 379.913 3.050 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Br)Br)cc1C#N ZINC000285188043 565893375 /nfs/dbraw/zinc/89/33/75/565893375.db2.gz QLPCZDGOYUQPOG-QWHCGFSZSA-N 1 1 387.119 3.225 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000217433621 565897324 /nfs/dbraw/zinc/89/73/24/565897324.db2.gz DCJJSYRXIRZLGY-OAHLLOKOSA-N 1 1 385.961 3.456 20 30 GGEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cscc3Br)C2=O)cc1 ZINC000285882834 565931002 /nfs/dbraw/zinc/93/10/02/565931002.db2.gz JOSMUVNWXRIDRY-MRXNPFEDSA-N 1 1 390.306 3.273 20 30 GGEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cscc3Br)C2=O)cc1 ZINC000285882830 565931232 /nfs/dbraw/zinc/93/12/32/565931232.db2.gz JOSMUVNWXRIDRY-INIZCTEOSA-N 1 1 390.306 3.273 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000178685641 565932457 /nfs/dbraw/zinc/93/24/57/565932457.db2.gz HPGMWSIQANLAQI-UHFFFAOYSA-N 1 1 382.835 3.288 20 30 GGEDMO [NH3+]CC(F)(F)CNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000415517183 566002048 /nfs/dbraw/zinc/00/20/48/566002048.db2.gz KUMJNAIHNICQGP-SECBINFHSA-N 1 1 379.251 3.202 20 30 GGEDMO CN(C(=O)Nc1ccc(C#N)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287267931 566007837 /nfs/dbraw/zinc/00/78/37/566007837.db2.gz QOSHEZSOGJCIQS-YIONKMFJSA-N 1 1 377.286 3.410 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1Cl ZINC000245831761 566008331 /nfs/dbraw/zinc/00/83/31/566008331.db2.gz GLHJRRCIFFNEQP-HOTGVXAUSA-N 1 1 379.913 3.137 20 30 GGEDMO N#Cc1ccc(NC(=O)C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1Cl ZINC000245831761 566008332 /nfs/dbraw/zinc/00/83/32/566008332.db2.gz GLHJRRCIFFNEQP-HOTGVXAUSA-N 1 1 379.913 3.137 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(C#N)c(Br)c3)CC[C@H]21 ZINC000287286834 566009249 /nfs/dbraw/zinc/00/92/49/566009249.db2.gz RVTYFCUYRQLSRZ-CZUORRHYSA-N 1 1 377.286 3.269 20 30 GGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180470211 566065322 /nfs/dbraw/zinc/06/53/22/566065322.db2.gz SCQQWUWLMBVDLF-CYBMUJFWSA-N 1 1 397.313 3.296 20 30 GGEDMO C=CCN1CC(=O)N(C2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC000365242860 566091944 /nfs/dbraw/zinc/09/19/44/566091944.db2.gz JDZFUSKKJWMZBD-UHFFFAOYSA-N 1 1 382.291 3.408 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2ccc(C#N)cc2Br)C[C@H](C)O1 ZINC000181027816 566106981 /nfs/dbraw/zinc/10/69/81/566106981.db2.gz XVQBCHCDOXDXRT-DAYGRLMNSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C[C@H](C)O1 ZINC000181027816 566106994 /nfs/dbraw/zinc/10/69/94/566106994.db2.gz XVQBCHCDOXDXRT-DAYGRLMNSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Br)C[C@H](C)O1 ZINC000181027816 566106998 /nfs/dbraw/zinc/10/69/98/566106998.db2.gz XVQBCHCDOXDXRT-DAYGRLMNSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C[C@@H](C)O1 ZINC000181027852 566107208 /nfs/dbraw/zinc/10/72/08/566107208.db2.gz XVQBCHCDOXDXRT-RKVPGOIHSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Br)C[C@@H](C)O1 ZINC000181027852 566107212 /nfs/dbraw/zinc/10/72/12/566107212.db2.gz XVQBCHCDOXDXRT-RKVPGOIHSA-N 1 1 392.341 3.394 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(Br)c1 ZINC000181103482 566115075 /nfs/dbraw/zinc/11/50/75/566115075.db2.gz BSWGEBMTTBJRGY-HNNXBMFYSA-N 1 1 386.297 3.238 20 30 GGEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)COCc1ccccc1 ZINC000181109137 566116191 /nfs/dbraw/zinc/11/61/91/566116191.db2.gz PQYNAWIXSVJPKL-SFHVURJKSA-N 1 1 389.293 3.330 20 30 GGEDMO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@H](O)COCc1ccccc1 ZINC000181109137 566116194 /nfs/dbraw/zinc/11/61/94/566116194.db2.gz PQYNAWIXSVJPKL-SFHVURJKSA-N 1 1 389.293 3.330 20 30 GGEDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C#N)cc1Br)CC2 ZINC000181119541 566116973 /nfs/dbraw/zinc/11/69/73/566116973.db2.gz KHYXFOICLXISFB-SJORKVTESA-N 1 1 379.298 3.073 20 30 GGEDMO C[N@H+](Cc1ccc(C#N)cc1Br)CC(C)(C)CN1CCOCC1 ZINC000181188390 566122821 /nfs/dbraw/zinc/12/28/21/566122821.db2.gz AYJDCOQESLUHRS-UHFFFAOYSA-N 1 1 380.330 3.111 20 30 GGEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)CC(C)(C)CN1CCOCC1 ZINC000181188390 566122824 /nfs/dbraw/zinc/12/28/24/566122824.db2.gz AYJDCOQESLUHRS-UHFFFAOYSA-N 1 1 380.330 3.111 20 30 GGEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000181436497 566141125 /nfs/dbraw/zinc/14/11/25/566141125.db2.gz BTUQXBJGYQBMNB-ZWKOTPCHSA-N 1 1 378.314 3.200 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1OCC ZINC000367838560 566219183 /nfs/dbraw/zinc/21/91/83/566219183.db2.gz FVTPYGIWFQWQFH-FICVDOATSA-N 1 1 382.298 3.083 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1OCC ZINC000367838560 566219187 /nfs/dbraw/zinc/21/91/87/566219187.db2.gz FVTPYGIWFQWQFH-FICVDOATSA-N 1 1 382.298 3.083 20 30 GGEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000367863512 566220243 /nfs/dbraw/zinc/22/02/43/566220243.db2.gz CYWWLCOJBUYEAC-IBGZPJMESA-N 1 1 382.261 3.417 20 30 GGEDMO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000367863512 566220246 /nfs/dbraw/zinc/22/02/46/566220246.db2.gz CYWWLCOJBUYEAC-IBGZPJMESA-N 1 1 382.261 3.417 20 30 GGEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccnc(Cl)c3Cl)C2=O)cc1 ZINC000291601637 566227290 /nfs/dbraw/zinc/22/72/90/566227290.db2.gz QNPFWMXANPXBPR-HNNXBMFYSA-N 1 1 375.259 3.151 20 30 GGEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183018496 566234742 /nfs/dbraw/zinc/23/47/42/566234742.db2.gz PZVXBKNVMHZKBY-HIFRSBDPSA-N 1 1 381.929 3.143 20 30 GGEDMO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183018459 566234756 /nfs/dbraw/zinc/23/47/56/566234756.db2.gz PZVXBKNVMHZKBY-UKRRQHHQSA-N 1 1 381.929 3.143 20 30 GGEDMO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183016593 566234947 /nfs/dbraw/zinc/23/49/47/566234947.db2.gz GYLSXKGYDIHXNJ-ZIAGYGMSSA-N 1 1 381.929 3.143 20 30 GGEDMO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183034274 566236038 /nfs/dbraw/zinc/23/60/38/566236038.db2.gz MZFPIQOLYLLCRF-ZIAGYGMSSA-N 1 1 381.929 3.143 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(Cl)c1 ZINC000183405173 566246374 /nfs/dbraw/zinc/24/63/74/566246374.db2.gz ZSRJZGWUEZMMFW-HNNXBMFYSA-N 1 1 395.937 3.389 20 30 GGEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)N(CC)CCC#N ZINC000481810422 566253769 /nfs/dbraw/zinc/25/37/69/566253769.db2.gz DXGJBSAYAKZOEM-INIZCTEOSA-N 1 1 380.330 3.464 20 30 GGEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc3cc(Br)ccc3s2)CC1 ZINC000599380995 566260216 /nfs/dbraw/zinc/26/02/16/566260216.db2.gz TWVWSZOEJKCMFN-UHFFFAOYSA-N 1 1 378.295 3.382 20 30 GGEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 ZINC000599380470 566260667 /nfs/dbraw/zinc/26/06/67/566260667.db2.gz PNGYCKLCEVPZEB-UHFFFAOYSA-N 1 1 379.247 3.366 20 30 GGEDMO N#CC1(NC(=O)C[N@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)CCC1 ZINC000599526688 566272266 /nfs/dbraw/zinc/27/22/66/566272266.db2.gz PLANKBLYYDGTGI-HNNXBMFYSA-N 1 1 394.338 3.178 20 30 GGEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)CCC1 ZINC000599526688 566272274 /nfs/dbraw/zinc/27/22/74/566272274.db2.gz PLANKBLYYDGTGI-HNNXBMFYSA-N 1 1 394.338 3.178 20 30 GGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599525938 566272409 /nfs/dbraw/zinc/27/24/09/566272409.db2.gz CBZIIAFANAEXCE-BBRMVZONSA-N 1 1 396.354 3.376 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000599542748 566274132 /nfs/dbraw/zinc/27/41/32/566274132.db2.gz WPHWUDRVUAHLNI-QLJPJBMISA-N 1 1 388.256 3.432 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000599541324 566274235 /nfs/dbraw/zinc/27/42/35/566274235.db2.gz HMSMQGPXKLLJEU-MNOVXSKESA-N 1 1 388.256 3.386 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000599542747 566274303 /nfs/dbraw/zinc/27/43/03/566274303.db2.gz WPHWUDRVUAHLNI-QFYYESIMSA-N 1 1 388.256 3.432 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000509408282 566300852 /nfs/dbraw/zinc/30/08/52/566300852.db2.gz PRNCRRNVJYRMGS-UHFFFAOYSA-N 1 1 382.835 3.288 20 30 GGEDMO Cc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)ncc1Br ZINC000600108820 566316015 /nfs/dbraw/zinc/31/60/15/566316015.db2.gz VRGMRSHZNJBLSW-UHFFFAOYSA-N 1 1 385.309 3.342 20 30 GGEDMO C=CCn1c(-c2ccccc2Br)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669815054 566328792 /nfs/dbraw/zinc/32/87/92/566328792.db2.gz IXEYBFPKFCZGPR-CQSZACIVSA-N 1 1 390.329 3.424 20 30 GGEDMO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669809627 566328825 /nfs/dbraw/zinc/32/88/25/566328825.db2.gz ZNWLRDIIRMBZCX-LBPRGKRZSA-N 1 1 396.358 3.486 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000420970361 566333105 /nfs/dbraw/zinc/33/31/05/566333105.db2.gz IKEGCYQLKOYDGX-APWZRJJASA-N 1 1 390.325 3.264 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000420970361 566333114 /nfs/dbraw/zinc/33/31/14/566333114.db2.gz IKEGCYQLKOYDGX-APWZRJJASA-N 1 1 390.325 3.264 20 30 GGEDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)NC1(C#N)CCCCC1 ZINC000482992376 566350693 /nfs/dbraw/zinc/35/06/93/566350693.db2.gz UDPXTMRZCKXDTB-CHWSQXEVSA-N 1 1 379.302 3.226 20 30 GGEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625699284 566351686 /nfs/dbraw/zinc/35/16/86/566351686.db2.gz CWINLOHIUPDIGF-HZPDHXFCSA-N 1 1 381.339 3.402 20 30 GGEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483257389 566367778 /nfs/dbraw/zinc/36/77/78/566367778.db2.gz HMZSCGGOLOCBAQ-OAHLLOKOSA-N 1 1 376.806 3.182 20 30 GGEDMO N#Cc1cccc(C[NH+]2CCC(NCc3ccncc3Br)CC2)c1 ZINC000601129736 566391980 /nfs/dbraw/zinc/39/19/80/566391980.db2.gz ACZSVDREXPLMPL-UHFFFAOYSA-N 1 1 385.309 3.470 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCc1cccc(Br)c1 ZINC000463428644 566410890 /nfs/dbraw/zinc/41/08/90/566410890.db2.gz KOXCWVYZEDIWDN-KSSFIOAISA-N 1 1 380.330 3.366 20 30 GGEDMO N#CCSCCC[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510890327 566419474 /nfs/dbraw/zinc/41/94/74/566419474.db2.gz PWIOTGQVDBJJNN-UHFFFAOYSA-N 1 1 383.315 3.388 20 30 GGEDMO N#CC1(NC(=O)C[NH+]2CCC(c3cccc(Br)c3)CC2)CCC1 ZINC000558108674 566450916 /nfs/dbraw/zinc/45/09/16/566450916.db2.gz YNJCYIJNKJCLGV-UHFFFAOYSA-N 1 1 376.298 3.191 20 30 GGEDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccc(C#N)c1Br ZINC000577816393 566467562 /nfs/dbraw/zinc/46/75/62/566467562.db2.gz BOIVBMUDCGZYOK-AWEZNQCLSA-N 1 1 387.281 3.384 20 30 GGEDMO CC[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602444819 566471268 /nfs/dbraw/zinc/47/12/68/566471268.db2.gz QPSANAFXEWMMQU-CYBMUJFWSA-N 1 1 377.897 3.442 20 30 GGEDMO C[C@H](CCC#N)C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000602468273 566471733 /nfs/dbraw/zinc/47/17/33/566471733.db2.gz ZXXVVIDKOKYALC-CYBMUJFWSA-N 1 1 375.947 3.038 20 30 GGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000602445658 566472252 /nfs/dbraw/zinc/47/22/52/566472252.db2.gz SCNOQABKZALMCA-UONOGXRCSA-N 1 1 379.302 3.434 20 30 GGEDMO CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602445141 566472530 /nfs/dbraw/zinc/47/25/30/566472530.db2.gz SRVYAPVTCPZQOD-CYBMUJFWSA-N 1 1 377.897 3.442 20 30 GGEDMO CO[C@@H](C[NH+]1CCN(c2snc(C)c2C#N)CC1)c1ccc(Cl)cc1 ZINC000558471249 566476602 /nfs/dbraw/zinc/47/66/02/566476602.db2.gz OJTGXOBMMOJBFW-KRWDZBQOSA-N 1 1 376.913 3.486 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448603998 566481940 /nfs/dbraw/zinc/48/19/40/566481940.db2.gz BPIGVENSBWHNIB-QGZVFWFLSA-N 1 1 384.277 3.325 20 30 GGEDMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000485727333 566521980 /nfs/dbraw/zinc/52/19/80/566521980.db2.gz KBKNTIRKXSZZNF-CQSZACIVSA-N 1 1 375.519 3.353 20 30 GGEDMO CC[C@H](c1ccc(Br)cc1)N1CC[NH+](CCOCCC#N)CC1 ZINC000559070765 566522520 /nfs/dbraw/zinc/52/25/20/566522520.db2.gz KGCZBXQFUNZMMD-GOSISDBHSA-N 1 1 380.330 3.448 20 30 GGEDMO C=CCn1cc(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)nn1 ZINC000424290918 566527518 /nfs/dbraw/zinc/52/75/18/566527518.db2.gz CNGCFUGJIVZPFE-GOSISDBHSA-N 1 1 391.313 3.484 20 30 GGEDMO C[N@@H+](CCOCCC#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000559187851 566532545 /nfs/dbraw/zinc/53/25/45/566532545.db2.gz POCIJIACYZOPSJ-INIZCTEOSA-N 1 1 397.313 3.369 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000603807396 566539984 /nfs/dbraw/zinc/53/99/84/566539984.db2.gz UQGMQIHPVMLFPB-RDTXWAMCSA-N 1 1 396.329 3.203 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000603807396 566539994 /nfs/dbraw/zinc/53/99/94/566539994.db2.gz UQGMQIHPVMLFPB-RDTXWAMCSA-N 1 1 396.329 3.203 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1OC ZINC000628367944 566551969 /nfs/dbraw/zinc/55/19/69/566551969.db2.gz BFZCZOJSXLKPDJ-AWEZNQCLSA-N 1 1 397.313 3.075 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1OC ZINC000628367945 566552980 /nfs/dbraw/zinc/55/29/80/566552980.db2.gz BFZCZOJSXLKPDJ-CQSZACIVSA-N 1 1 397.313 3.075 20 30 GGEDMO C=C(CC)C[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000539105031 566560076 /nfs/dbraw/zinc/56/00/76/566560076.db2.gz PWZVSXVMHNWNEO-UHFFFAOYSA-N 1 1 384.261 3.015 20 30 GGEDMO C[N@@H+](Cc1ccc(Br)cc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000604439041 566566580 /nfs/dbraw/zinc/56/65/80/566566580.db2.gz WBODIBILIGNKAR-MRXNPFEDSA-N 1 1 393.256 3.332 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000604439041 566566584 /nfs/dbraw/zinc/56/65/84/566566584.db2.gz WBODIBILIGNKAR-MRXNPFEDSA-N 1 1 393.256 3.332 20 30 GGEDMO CC[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000559792532 566570896 /nfs/dbraw/zinc/57/08/96/566570896.db2.gz CJUQHGIYNQOYBL-CYBMUJFWSA-N 1 1 377.897 3.442 20 30 GGEDMO Cc1ccc(N2CCC(NC(=O)c3cccc(C#N)c3Br)CC2)[nH+]c1 ZINC000449922827 566616593 /nfs/dbraw/zinc/61/65/93/566616593.db2.gz CCJWFPQLYBDNQE-UHFFFAOYSA-N 1 1 399.292 3.423 20 30 GGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)C[C@H]1C ZINC000449971974 566620857 /nfs/dbraw/zinc/62/08/57/566620857.db2.gz LZOOUDWKGMLJGL-KGLIPLIRSA-N 1 1 394.313 3.031 20 30 GGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2cccc(Br)c2C#N)C[C@@H]1C ZINC000449971966 566620987 /nfs/dbraw/zinc/62/09/87/566620987.db2.gz LZOOUDWKGMLJGL-KBPBESRZSA-N 1 1 394.313 3.031 20 30 GGEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000450017588 566626292 /nfs/dbraw/zinc/62/62/92/566626292.db2.gz OOHHVGSCVHERIB-CQSZACIVSA-N 1 1 376.298 3.125 20 30 GGEDMO C[C@H]1C[C@@]1(C#N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000450134262 566636371 /nfs/dbraw/zinc/63/63/71/566636371.db2.gz IPLRDWWDQSJMPL-UGSOOPFHSA-N 1 1 376.298 3.079 20 30 GGEDMO C[C@H]1C[C@]1(C#N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000450134261 566636412 /nfs/dbraw/zinc/63/64/12/566636412.db2.gz IPLRDWWDQSJMPL-SCLBCKFNSA-N 1 1 376.298 3.079 20 30 GGEDMO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467244624 566636561 /nfs/dbraw/zinc/63/65/61/566636561.db2.gz UEGMCJJSYOQEJF-ZDUSSCGKSA-N 1 1 396.329 3.310 20 30 GGEDMO C[C@@H]1C[C@]1(C#N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000450134259 566636929 /nfs/dbraw/zinc/63/69/29/566636929.db2.gz IPLRDWWDQSJMPL-FZKQIMNGSA-N 1 1 376.298 3.079 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(Br)cc1 ZINC000514095265 566641044 /nfs/dbraw/zinc/64/10/44/566641044.db2.gz QFPZDTXJHADRJL-GOSISDBHSA-N 1 1 378.314 3.468 20 30 GGEDMO C=CCC[N@H+](C)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000467367066 566641843 /nfs/dbraw/zinc/64/18/43/566641843.db2.gz CAVLRAWBNKJSJD-UHFFFAOYSA-N 1 1 399.329 3.323 20 30 GGEDMO N#Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Br ZINC000450182146 566642316 /nfs/dbraw/zinc/64/23/16/566642316.db2.gz ABBNWFQLRLFJDQ-RHSMWYFYSA-N 1 1 388.309 3.410 20 30 GGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(Br)c2)C1=O ZINC000467513860 566652018 /nfs/dbraw/zinc/65/20/18/566652018.db2.gz SNJAEEKVVCWWGI-CYBMUJFWSA-N 1 1 389.240 3.269 20 30 GGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Br)c2)C1=O ZINC000467513860 566652023 /nfs/dbraw/zinc/65/20/23/566652023.db2.gz SNJAEEKVVCWWGI-CYBMUJFWSA-N 1 1 389.240 3.269 20 30 GGEDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000450273595 566652995 /nfs/dbraw/zinc/65/29/95/566652995.db2.gz CPRWYJFBENTMHO-UHFFFAOYSA-N 1 1 387.281 3.149 20 30 GGEDMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccco1 ZINC000488011852 566702735 /nfs/dbraw/zinc/70/27/35/566702735.db2.gz ZBYOZSGHMNCBDP-AWEZNQCLSA-N 1 1 377.242 3.338 20 30 GGEDMO N#Cc1cccc(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1Br ZINC000450822466 566709140 /nfs/dbraw/zinc/70/91/40/566709140.db2.gz BFDAQLIKCKERLP-AWEZNQCLSA-N 1 1 399.292 3.483 20 30 GGEDMO COc1ccc(C#N)cc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488249714 566718082 /nfs/dbraw/zinc/71/80/82/566718082.db2.gz JLDZOQFKYMHJHZ-UHFFFAOYSA-N 1 1 375.266 3.324 20 30 GGEDMO COc1ccc(C#N)cc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488249714 566718086 /nfs/dbraw/zinc/71/80/86/566718086.db2.gz JLDZOQFKYMHJHZ-UHFFFAOYSA-N 1 1 375.266 3.324 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccsc1 ZINC000489113866 566771328 /nfs/dbraw/zinc/77/13/28/566771328.db2.gz HVQICDJDXAVDND-QGZVFWFLSA-N 1 1 381.498 3.120 20 30 GGEDMO N#Cc1ccnc(N2CC[NH+](CCCc3ccccc3Br)CC2)c1 ZINC000542208370 566782798 /nfs/dbraw/zinc/78/27/98/566782798.db2.gz BAGYGQKXLWNWGL-UHFFFAOYSA-N 1 1 385.309 3.471 20 30 GGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451306961 566792569 /nfs/dbraw/zinc/79/25/69/566792569.db2.gz TWPYWGJPUOAZGX-ZNMIVQPWSA-N 1 1 383.945 3.051 20 30 GGEDMO N#CC1(CNC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000562724883 566817268 /nfs/dbraw/zinc/81/72/68/566817268.db2.gz RMQGWPJNFFTCCJ-UHFFFAOYSA-N 1 1 391.313 3.016 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470013064 566838684 /nfs/dbraw/zinc/83/86/84/566838684.db2.gz UPTCRBJWZRHXRC-UKRRQHHQSA-N 1 1 384.307 3.455 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470013064 566838689 /nfs/dbraw/zinc/83/86/89/566838689.db2.gz UPTCRBJWZRHXRC-UKRRQHHQSA-N 1 1 384.307 3.455 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470013065 566839182 /nfs/dbraw/zinc/83/91/82/566839182.db2.gz UPTCRBJWZRHXRC-ZFWWWQNUSA-N 1 1 384.307 3.455 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470013065 566839185 /nfs/dbraw/zinc/83/91/85/566839185.db2.gz UPTCRBJWZRHXRC-ZFWWWQNUSA-N 1 1 384.307 3.455 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)cc1OC ZINC000470148164 566849167 /nfs/dbraw/zinc/84/91/67/566849167.db2.gz JFGWPXXYWGNAOS-OCCSQVGLSA-N 1 1 398.297 3.406 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)cc1OC ZINC000470148164 566849171 /nfs/dbraw/zinc/84/91/71/566849171.db2.gz JFGWPXXYWGNAOS-OCCSQVGLSA-N 1 1 398.297 3.406 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1OC ZINC000543412864 566878486 /nfs/dbraw/zinc/87/84/86/566878486.db2.gz RRGQOPVUPZZLJD-LZWOXQAQSA-N 1 1 382.298 3.225 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)nc1 ZINC000428819775 566882418 /nfs/dbraw/zinc/88/24/18/566882418.db2.gz QSCMXCZQVYSTOB-INIZCTEOSA-N 1 1 383.249 3.241 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(C#N)ccc3Br)C2)nc1 ZINC000428819775 566882424 /nfs/dbraw/zinc/88/24/24/566882424.db2.gz QSCMXCZQVYSTOB-INIZCTEOSA-N 1 1 383.249 3.241 20 30 GGEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H](C)O1 ZINC000611092834 566890083 /nfs/dbraw/zinc/89/00/83/566890083.db2.gz JFWIQCBOFGFBBB-RYUDHWBXSA-N 1 1 384.307 3.483 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(Br)c1 ZINC000518598725 566893123 /nfs/dbraw/zinc/89/31/23/566893123.db2.gz TZOCAKGLSPRZMY-GOSISDBHSA-N 1 1 378.314 3.468 20 30 GGEDMO COc1cc(C#N)ccc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429003629 566898643 /nfs/dbraw/zinc/89/86/43/566898643.db2.gz IOZYAIRTKJAIIV-MRXNPFEDSA-N 1 1 379.229 3.292 20 30 GGEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000543726009 566905668 /nfs/dbraw/zinc/90/56/68/566905668.db2.gz PMXYQJKVOARHRP-INIZCTEOSA-N 1 1 398.315 3.446 20 30 GGEDMO C[C@](CO)([NH2+]CC(=O)Nc1sccc1C#N)c1cc(Cl)cc(Cl)c1 ZINC000451917501 566908230 /nfs/dbraw/zinc/90/82/30/566908230.db2.gz XCIYGXZYCBOZBZ-MRXNPFEDSA-N 1 1 384.288 3.362 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429160276 566911233 /nfs/dbraw/zinc/91/12/33/566911233.db2.gz RZNDIGIQYLAEDW-KRWDZBQOSA-N 1 1 376.913 3.162 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429160276 566911242 /nfs/dbraw/zinc/91/12/42/566911242.db2.gz RZNDIGIQYLAEDW-KRWDZBQOSA-N 1 1 376.913 3.162 20 30 GGEDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000492414970 566934429 /nfs/dbraw/zinc/93/44/29/566934429.db2.gz DEFQFFDGVBHAKP-UHFFFAOYSA-N 1 1 378.314 3.400 20 30 GGEDMO CCC[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@H+]1CCOC ZINC000492720237 566937559 /nfs/dbraw/zinc/93/75/59/566937559.db2.gz HMSPOTQOJPDNQI-QGZVFWFLSA-N 1 1 380.330 3.253 20 30 GGEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129735 566941761 /nfs/dbraw/zinc/94/17/61/566941761.db2.gz XWGRYBQHYXOKPL-ZENOOKHLSA-N 1 1 376.298 3.123 20 30 GGEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129733 566941852 /nfs/dbraw/zinc/94/18/52/566941852.db2.gz XWGRYBQHYXOKPL-WOSRLPQWSA-N 1 1 376.298 3.123 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274802 566980712 /nfs/dbraw/zinc/98/07/12/566980712.db2.gz SXPIDDYUXUQODX-PXAZEXFGSA-N 1 1 384.293 3.463 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274802 566980715 /nfs/dbraw/zinc/98/07/15/566980715.db2.gz SXPIDDYUXUQODX-PXAZEXFGSA-N 1 1 384.293 3.463 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274803 566981705 /nfs/dbraw/zinc/98/17/05/566981705.db2.gz SXPIDDYUXUQODX-SJCJKPOMSA-N 1 1 384.293 3.463 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274803 566981710 /nfs/dbraw/zinc/98/17/10/566981710.db2.gz SXPIDDYUXUQODX-SJCJKPOMSA-N 1 1 384.293 3.463 20 30 GGEDMO Cc1c2cc(Br)ccc2oc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000520246582 566992087 /nfs/dbraw/zinc/99/20/87/566992087.db2.gz WJCMDJGJBIFUAL-UHFFFAOYSA-N 1 1 376.254 3.222 20 30 GGEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc3ccc(Br)cc3s2)CC1 ZINC000584272209 567026785 /nfs/dbraw/zinc/02/67/85/567026785.db2.gz FSINPMXTOPCZDK-UHFFFAOYSA-N 1 1 378.295 3.382 20 30 GGEDMO C=CCCn1cc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(Br)cc2)nn1 ZINC000657426002 567055987 /nfs/dbraw/zinc/05/59/87/567055987.db2.gz UNHDGHNGAPBNOF-SUMWQHHRSA-N 1 1 379.302 3.483 20 30 GGEDMO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)nc1 ZINC000565349802 567060605 /nfs/dbraw/zinc/06/06/05/567060605.db2.gz CEMUVLVUEXDBPK-UHFFFAOYSA-N 1 1 399.292 3.110 20 30 GGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ncc(I)s1 ZINC000586778991 567096729 /nfs/dbraw/zinc/09/67/29/567096729.db2.gz SNPWZLITZXIBHK-LBPRGKRZSA-N 1 1 381.242 3.396 20 30 GGEDMO N#Cc1ccc(C[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C2CC2)cc1 ZINC000566302014 567147346 /nfs/dbraw/zinc/14/73/46/567147346.db2.gz RTSXFBLNZKDWSX-UHFFFAOYSA-N 1 1 375.881 3.024 20 30 GGEDMO N#Cc1ccc(C[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C2CC2)cc1 ZINC000566302014 567147351 /nfs/dbraw/zinc/14/73/51/567147351.db2.gz RTSXFBLNZKDWSX-UHFFFAOYSA-N 1 1 375.881 3.024 20 30 GGEDMO N#Cc1ccc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)c(F)c1 ZINC000432339323 567151726 /nfs/dbraw/zinc/15/17/26/567151726.db2.gz SNSJBNKYGVZGEL-KRWDZBQOSA-N 1 1 388.240 3.355 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cn4cc(Br)ccc4n3)C2)nc1 ZINC000590003956 567202611 /nfs/dbraw/zinc/20/26/11/567202611.db2.gz IRPHTZDOKKZQOL-INIZCTEOSA-N 1 1 398.264 3.017 20 30 GGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cn4cc(Br)ccc4n3)C2)nc1 ZINC000590003956 567202620 /nfs/dbraw/zinc/20/26/20/567202620.db2.gz IRPHTZDOKKZQOL-INIZCTEOSA-N 1 1 398.264 3.017 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433303028 567239658 /nfs/dbraw/zinc/23/96/58/567239658.db2.gz ZLKSDZVGWWORNN-LPHOPBHVSA-N 1 1 392.341 3.368 20 30 GGEDMO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)CC(C)(C)C#N ZINC000433301717 567240057 /nfs/dbraw/zinc/24/00/57/567240057.db2.gz HGHURSOICJUUQA-LBPRGKRZSA-N 1 1 375.694 3.324 20 30 GGEDMO C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)CC(C)(C)C#N ZINC000433301717 567240067 /nfs/dbraw/zinc/24/00/67/567240067.db2.gz HGHURSOICJUUQA-LBPRGKRZSA-N 1 1 375.694 3.324 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433295186 567240264 /nfs/dbraw/zinc/24/02/64/567240264.db2.gz CJYGKIBWFYVIKH-KXBFYZLASA-N 1 1 390.325 3.122 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433295183 567240714 /nfs/dbraw/zinc/24/07/14/567240714.db2.gz CJYGKIBWFYVIKH-BEFAXECRSA-N 1 1 390.325 3.122 20 30 GGEDMO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294209 567240935 /nfs/dbraw/zinc/24/09/35/567240935.db2.gz KHYGHNCVQUNVMQ-LPHOPBHVSA-N 1 1 398.304 3.412 20 30 GGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433303734 567241487 /nfs/dbraw/zinc/24/14/87/567241487.db2.gz LZCLKHJPEXLBST-ZBFHGGJFSA-N 1 1 378.314 3.074 20 30 GGEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000547794666 567247200 /nfs/dbraw/zinc/24/72/00/567247200.db2.gz AKQMYXSAZVMURN-MRXNPFEDSA-N 1 1 398.315 3.446 20 30 GGEDMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)CCCCCC#N)CC1 ZINC000590881364 567255033 /nfs/dbraw/zinc/25/50/33/567255033.db2.gz FQTUTYGNMPQYEX-UHFFFAOYSA-N 1 1 394.317 3.008 20 30 GGEDMO C=CCN1CC[C@@H]([N@H+](Cc2cccc(Br)c2)C2CCOCC2)C1=O ZINC000499722139 567267871 /nfs/dbraw/zinc/26/78/71/567267871.db2.gz YBIYPUBHTSOLAX-GOSISDBHSA-N 1 1 393.325 3.217 20 30 GGEDMO C=CCN1CC[C@@H]([N@H+](C)CCCc2ccc(Br)cc2OC)C1=O ZINC000499936559 567285417 /nfs/dbraw/zinc/28/54/17/567285417.db2.gz AMVQTUNXWDOKCI-MRXNPFEDSA-N 1 1 381.314 3.109 20 30 GGEDMO C[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000455787165 567304340 /nfs/dbraw/zinc/30/43/40/567304340.db2.gz NKYDOEJXQNUMIJ-LLVKDONJSA-N 1 1 375.885 3.236 20 30 GGEDMO C[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000455787165 567304345 /nfs/dbraw/zinc/30/43/45/567304345.db2.gz NKYDOEJXQNUMIJ-LLVKDONJSA-N 1 1 375.885 3.236 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c(Br)c1 ZINC000592156228 567318579 /nfs/dbraw/zinc/31/85/79/567318579.db2.gz VDZYZUKDGZQFHI-SFHVURJKSA-N 1 1 398.304 3.459 20 30 GGEDMO N#Cc1cnn2cc(C[N@@H+]3CC[C@H](Cc4ccc(Br)cc4)C3)cnc12 ZINC000592514489 567343150 /nfs/dbraw/zinc/34/31/50/567343150.db2.gz DJKCXYWXJNNVIA-OAHLLOKOSA-N 1 1 396.292 3.428 20 30 GGEDMO COc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000548695963 567343251 /nfs/dbraw/zinc/34/32/51/567343251.db2.gz ZGTNUGMMACGDEV-UHFFFAOYSA-N 1 1 379.869 3.083 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)cc1OC ZINC000592516400 567343477 /nfs/dbraw/zinc/34/34/77/567343477.db2.gz MWXFOLLVGBMTSH-TZMCWYRMSA-N 1 1 398.297 3.263 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)cc1OC ZINC000592516400 567343479 /nfs/dbraw/zinc/34/34/79/567343479.db2.gz MWXFOLLVGBMTSH-TZMCWYRMSA-N 1 1 398.297 3.263 20 30 GGEDMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522565 567344500 /nfs/dbraw/zinc/34/45/00/567344500.db2.gz FKVLUABBSYIQQU-SFHVURJKSA-N 1 1 389.297 3.102 20 30 GGEDMO C[NH+]1CCC(C#N)(NC(=O)c2sc3ccccc3c2Br)CC1 ZINC000568686302 567347686 /nfs/dbraw/zinc/34/76/86/567347686.db2.gz RAHACAQHWVGLJM-UHFFFAOYSA-N 1 1 378.295 3.382 20 30 GGEDMO CC(C)COCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501028932 567360176 /nfs/dbraw/zinc/36/01/76/567360176.db2.gz MHALLSMAPGHXMY-SFHVURJKSA-N 1 1 380.330 3.304 20 30 GGEDMO CC(C)(C)OCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501040472 567360391 /nfs/dbraw/zinc/36/03/91/567360391.db2.gz QOGDASBOSDNSCQ-QGZVFWFLSA-N 1 1 380.330 3.446 20 30 GGEDMO C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)CCCC#N ZINC000456370655 567367732 /nfs/dbraw/zinc/36/77/32/567367732.db2.gz MKVAUDUPCHNDMF-ZDUSSCGKSA-N 1 1 379.302 3.222 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000435444483 567369290 /nfs/dbraw/zinc/36/92/90/567369290.db2.gz XXYBDDQPFYMZLN-UHFFFAOYSA-N 1 1 395.937 3.216 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c(Cl)c1 ZINC000435643148 567381203 /nfs/dbraw/zinc/38/12/03/567381203.db2.gz ZWQPEOVFHZKSRI-MRXNPFEDSA-N 1 1 381.929 3.287 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c(Cl)c1 ZINC000435643147 567381748 /nfs/dbraw/zinc/38/17/48/567381748.db2.gz ZWQPEOVFHZKSRI-INIZCTEOSA-N 1 1 381.929 3.287 20 30 GGEDMO N#CC1(C[NH+]2CCC(Oc3ccccc3I)CC2)CC1 ZINC000501535024 567395799 /nfs/dbraw/zinc/39/57/99/567395799.db2.gz VPKCSXOHIKMBRD-UHFFFAOYSA-N 1 1 382.245 3.438 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000569386091 567400411 /nfs/dbraw/zinc/40/04/11/567400411.db2.gz RCYBRVKZMYOBTM-UHFFFAOYSA-N 1 1 396.299 3.313 20 30 GGEDMO N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)c3ccc(Cl)s3)CC2)c1 ZINC000593668723 567433265 /nfs/dbraw/zinc/43/32/65/567433265.db2.gz QUTXSSXKQSDVCH-UHFFFAOYSA-N 1 1 395.937 3.216 20 30 GGEDMO N#Cc1cccc(C[NH+]2CCC(NCc3ccc(Br)cn3)CC2)c1 ZINC000593693394 567435733 /nfs/dbraw/zinc/43/57/33/567435733.db2.gz XICWXRGATSBZDX-UHFFFAOYSA-N 1 1 385.309 3.470 20 30 GGEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC(c2cccc(Br)c2)CC1)C1CC1 ZINC000619624310 567471392 /nfs/dbraw/zinc/47/13/92/567471392.db2.gz YZJBPJZHIYXCEX-LJQANCHMSA-N 1 1 390.325 3.437 20 30 GGEDMO C=CCCn1cc(C[NH2+]Cc2ccc(I)c(C)c2)nn1 ZINC000594935532 567526609 /nfs/dbraw/zinc/52/66/09/567526609.db2.gz FZWDWYGNJIFCNE-UHFFFAOYSA-N 1 1 382.249 3.057 20 30 GGEDMO CC1(C)C[C@H]([NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CO1 ZINC000595406409 567562461 /nfs/dbraw/zinc/56/24/61/567562461.db2.gz IZDBWDOEESZTEY-DLBZAZTESA-N 1 1 378.314 3.199 20 30 GGEDMO CC1(C)C[C@H]([NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CO1 ZINC000595406417 567562676 /nfs/dbraw/zinc/56/26/76/567562676.db2.gz IZDBWDOEESZTEY-IRXDYDNUSA-N 1 1 378.314 3.199 20 30 GGEDMO Cc1nn(C)c(N2CC[NH+](CCSc3cccc(Cl)c3)CC2)c1C#N ZINC000595457264 567565291 /nfs/dbraw/zinc/56/52/91/567565291.db2.gz IFMQNDSUSYQWNW-UHFFFAOYSA-N 1 1 375.929 3.168 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595617482 567573735 /nfs/dbraw/zinc/57/37/35/567573735.db2.gz WDYKUQMBYRQXRG-QWHCGFSZSA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595617482 567573741 /nfs/dbraw/zinc/57/37/41/567573741.db2.gz WDYKUQMBYRQXRG-QWHCGFSZSA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611560 567573968 /nfs/dbraw/zinc/57/39/68/567573968.db2.gz LASOKMAJPMOIOZ-GJZGRUSLSA-N 1 1 378.314 3.422 20 30 GGEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614275 567574122 /nfs/dbraw/zinc/57/41/22/567574122.db2.gz JQFDWSRUBVVLHP-GXTWGEPZSA-N 1 1 387.705 3.468 20 30 GGEDMO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611559 567574136 /nfs/dbraw/zinc/57/41/36/567574136.db2.gz LASOKMAJPMOIOZ-CABCVRRESA-N 1 1 378.314 3.422 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610732 567574151 /nfs/dbraw/zinc/57/41/51/567574151.db2.gz AVYRPWAYXLZIBS-QWHCGFSZSA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610732 567574154 /nfs/dbraw/zinc/57/41/54/567574154.db2.gz AVYRPWAYXLZIBS-QWHCGFSZSA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610730 567574162 /nfs/dbraw/zinc/57/41/62/567574162.db2.gz AVYRPWAYXLZIBS-CHWSQXEVSA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610730 567574165 /nfs/dbraw/zinc/57/41/65/567574165.db2.gz AVYRPWAYXLZIBS-CHWSQXEVSA-N 1 1 397.260 3.244 20 30 GGEDMO N#CC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614286 567574299 /nfs/dbraw/zinc/57/42/99/567574299.db2.gz JQFDWSRUBVVLHP-TZMCWYRMSA-N 1 1 387.705 3.468 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000530335768 567593450 /nfs/dbraw/zinc/59/34/50/567593450.db2.gz TVBOFWIIDPTPDU-GXTWGEPZSA-N 1 1 382.291 3.397 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000530335768 567593455 /nfs/dbraw/zinc/59/34/55/567593455.db2.gz TVBOFWIIDPTPDU-GXTWGEPZSA-N 1 1 382.291 3.397 20 30 GGEDMO N#CC1(CNC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000571955366 567601407 /nfs/dbraw/zinc/60/14/07/567601407.db2.gz REGCTHZRCSGLNQ-UHFFFAOYSA-N 1 1 391.313 3.016 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)cc1OC ZINC000621738968 567608892 /nfs/dbraw/zinc/60/88/92/567608892.db2.gz YKWQOCMFXTWXEB-HIFRSBDPSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)cc1OC ZINC000621738968 567608899 /nfs/dbraw/zinc/60/88/99/567608899.db2.gz YKWQOCMFXTWXEB-HIFRSBDPSA-N 1 1 384.314 3.473 20 30 GGEDMO CCc1nc(C[NH+]2CCC(CNc3nc(C#N)c(Cl)s3)CC2)cs1 ZINC000596119583 567610443 /nfs/dbraw/zinc/61/04/43/567610443.db2.gz LMCLXHAMMLCFPU-UHFFFAOYSA-N 1 1 381.958 3.433 20 30 GGEDMO CC[C@@H]1C[N@H+](CCNc2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000440635460 567635999 /nfs/dbraw/zinc/63/59/99/567635999.db2.gz HYUZLMAJUYACSM-CQSZACIVSA-N 1 1 389.297 3.392 20 30 GGEDMO CC[C@@H]1C[N@@H+](CCNc2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000440635460 567636006 /nfs/dbraw/zinc/63/60/06/567636006.db2.gz HYUZLMAJUYACSM-CQSZACIVSA-N 1 1 389.297 3.392 20 30 GGEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000531094718 567640926 /nfs/dbraw/zinc/64/09/26/567640926.db2.gz OCBMKRZEGLCTQC-QGZVFWFLSA-N 1 1 398.315 3.446 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000459658510 567647336 /nfs/dbraw/zinc/64/73/36/567647336.db2.gz KRIKETYVFRGSJT-UHFFFAOYSA-N 1 1 380.286 3.397 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)NCCn1cc[nH+]c1C ZINC000459683731 567650434 /nfs/dbraw/zinc/65/04/34/567650434.db2.gz CTWGOJDVELSUSC-UHFFFAOYSA-N 1 1 379.258 3.341 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Br)cc1F ZINC000572640361 567654893 /nfs/dbraw/zinc/65/48/93/567654893.db2.gz ITYIRWBBHMLRFC-GFCCVEGCSA-N 1 1 390.256 3.427 20 30 GGEDMO CCC[C@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@H+]1CCOC ZINC000481133438 567659955 /nfs/dbraw/zinc/65/99/55/567659955.db2.gz BSXHZEMAJXRVIV-KRWDZBQOSA-N 1 1 380.330 3.253 20 30 GGEDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000572916555 567675077 /nfs/dbraw/zinc/67/50/77/567675077.db2.gz IEZYBADYYLPNFJ-AWEZNQCLSA-N 1 1 383.945 3.094 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000531841537 567681876 /nfs/dbraw/zinc/68/18/76/567681876.db2.gz PSXFYBMHSCALLS-HNNXBMFYSA-N 1 1 392.341 3.421 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000531841538 567682281 /nfs/dbraw/zinc/68/22/81/567682281.db2.gz PSXFYBMHSCALLS-OAHLLOKOSA-N 1 1 392.341 3.421 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000531841211 567682389 /nfs/dbraw/zinc/68/23/89/567682389.db2.gz WKDPKMGTGCHZIR-HNNXBMFYSA-N 1 1 396.329 3.158 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000531841211 567682397 /nfs/dbraw/zinc/68/23/97/567682397.db2.gz WKDPKMGTGCHZIR-HNNXBMFYSA-N 1 1 396.329 3.158 20 30 GGEDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000597676662 567711867 /nfs/dbraw/zinc/71/18/67/567711867.db2.gz BMZPHNXUIYAWNZ-GFCCVEGCSA-N 1 1 382.291 3.190 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1OCC ZINC000666943389 567713815 /nfs/dbraw/zinc/71/38/15/567713815.db2.gz ACVYOJVLPYJXDF-KBPBESRZSA-N 1 1 387.293 3.202 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](CC)[C@@H]2CCNC2=O)cc1OCC ZINC000442960498 567720127 /nfs/dbraw/zinc/72/01/27/567720127.db2.gz BLZRBZVETLYWMM-OAHLLOKOSA-N 1 1 397.313 3.123 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)[C@@H]2CCNC2=O)cc1OCC ZINC000442960498 567720133 /nfs/dbraw/zinc/72/01/33/567720133.db2.gz BLZRBZVETLYWMM-OAHLLOKOSA-N 1 1 397.313 3.123 20 30 GGEDMO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2C#N)[NH+](C)C)cc1 ZINC000443039348 567726305 /nfs/dbraw/zinc/72/63/05/567726305.db2.gz SDOJAEFXJGWYFP-KRWDZBQOSA-N 1 1 377.897 3.101 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccsc1 ZINC000443111392 567732722 /nfs/dbraw/zinc/73/27/22/567732722.db2.gz UENNSZXKDSRZMF-MRXNPFEDSA-N 1 1 381.498 3.120 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000554916388 567756769 /nfs/dbraw/zinc/75/67/69/567756769.db2.gz JMMCJHYYFJPOQU-QGZVFWFLSA-N 1 1 377.897 3.101 20 30 GGEDMO Cc1cc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1C#N ZINC000554917653 567756920 /nfs/dbraw/zinc/75/69/20/567756920.db2.gz GORUSALQJAOOGR-SFHVURJKSA-N 1 1 377.897 3.101 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598557954 567776853 /nfs/dbraw/zinc/77/68/53/567776853.db2.gz OOTDGXHIMYPLTB-CQSZACIVSA-N 1 1 376.298 3.173 20 30 GGEDMO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000598585486 567777805 /nfs/dbraw/zinc/77/78/05/567777805.db2.gz DXXWMQYGJCJQSH-CYBMUJFWSA-N 1 1 384.307 3.052 20 30 GGEDMO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000598613421 567779129 /nfs/dbraw/zinc/77/91/29/567779129.db2.gz XGXVOGNKYVMNAA-RISCZKNCSA-N 1 1 393.285 3.450 20 30 GGEDMO Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1C#N ZINC000443964666 567782563 /nfs/dbraw/zinc/78/25/63/567782563.db2.gz NEHRAELOIYLPCM-KRWDZBQOSA-N 1 1 375.519 3.044 20 30 GGEDMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801329 570908278 /nfs/dbraw/zinc/90/82/78/570908278.db2.gz WABOODYLNSTDQR-QGZVFWFLSA-N 1 1 394.544 3.105 20 30 GGEDMO C=CC[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccccc1F ZINC000735418394 598981721 /nfs/dbraw/zinc/98/17/21/598981721.db2.gz CQGIVWDDQOXKSB-UHFFFAOYSA-N 1 1 383.427 3.081 20 30 GGEDMO C=CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1ccccc1F ZINC000735418394 598981722 /nfs/dbraw/zinc/98/17/22/598981722.db2.gz CQGIVWDDQOXKSB-UHFFFAOYSA-N 1 1 383.427 3.081 20 30 GGEDMO CC[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000736537025 598982124 /nfs/dbraw/zinc/98/21/24/598982124.db2.gz PGTYZHHLZCKVSF-OAHLLOKOSA-N 1 1 392.463 3.209 20 30 GGEDMO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1Cl ZINC000737718180 598275811 /nfs/dbraw/zinc/27/58/11/598275811.db2.gz KSTIGSZQVYDDJD-UHFFFAOYSA-N 1 1 393.882 3.104 20 30 GGEDMO C=CCOc1ccccc1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000823932299 608584044 /nfs/dbraw/zinc/58/40/44/608584044.db2.gz TUGHWNDGELEWQF-UHFFFAOYSA-N 1 1 390.491 3.144 20 30 GGEDMO C=CC[N@H+](Cc1ccc(OCCOC)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823909636 608631353 /nfs/dbraw/zinc/63/13/53/608631353.db2.gz LVCVVBYDOWCGHA-UHFFFAOYSA-N 1 1 379.464 3.080 20 30 GGEDMO C=CC[N@@H+](Cc1cnc2ccc(Cl)cn12)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914945 608631885 /nfs/dbraw/zinc/63/18/85/608631885.db2.gz PUISYKCCTQMTCI-UHFFFAOYSA-N 1 1 379.855 3.356 20 30 GGEDMO C=CC[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914945 608631886 /nfs/dbraw/zinc/63/18/86/608631886.db2.gz PUISYKCCTQMTCI-UHFFFAOYSA-N 1 1 379.855 3.356 20 30 GGEDMO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1Br)c1cccc(C#N)c1 ZINC000824613289 609367710 /nfs/dbraw/zinc/36/77/10/609367710.db2.gz SOGTWQDJPOCUII-LLVKDONJSA-N 1 1 383.253 3.352 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000053206747 1406325143 /nfs/dbraw/zinc/32/51/43/1406325143.db2.gz UYJMMTYUXNZSEG-UHFFFAOYSA-N 1 1 394.862 3.092 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000053206747 1406325158 /nfs/dbraw/zinc/32/51/58/1406325158.db2.gz UYJMMTYUXNZSEG-UHFFFAOYSA-N 1 1 394.862 3.092 20 30 GGEDMO CCC1CC[NH+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000053382089 1406382113 /nfs/dbraw/zinc/38/21/13/1406382113.db2.gz WTHPYGRXCWVRBP-GOSISDBHSA-N 1 1 398.551 3.478 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000053404923 1406387606 /nfs/dbraw/zinc/38/76/06/1406387606.db2.gz AOUVQUNKMFKINT-KRWDZBQOSA-N 1 1 387.524 3.353 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000053494539 1406415630 /nfs/dbraw/zinc/41/56/30/1406415630.db2.gz PAAFLBNOBJLFHD-UHFFFAOYSA-N 1 1 379.420 3.206 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000053494539 1406415638 /nfs/dbraw/zinc/41/56/38/1406415638.db2.gz PAAFLBNOBJLFHD-UHFFFAOYSA-N 1 1 379.420 3.206 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000053637045 1406466728 /nfs/dbraw/zinc/46/67/28/1406466728.db2.gz DTTDXYFKQFEYEC-KRWDZBQOSA-N 1 1 387.867 3.018 20 30 GGEDMO Cc1noc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)n1 ZINC000053639707 1406467602 /nfs/dbraw/zinc/46/76/02/1406467602.db2.gz LTMQHWPLSKJVTE-CQSZACIVSA-N 1 1 385.443 3.032 20 30 GGEDMO COc1ccc(N2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000053774302 1406508259 /nfs/dbraw/zinc/50/82/59/1406508259.db2.gz UBKBYCXQEPRWFJ-UHFFFAOYSA-N 1 1 378.476 3.108 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCOc3ccccc3)CC2)cc1 ZINC000054005302 1406585759 /nfs/dbraw/zinc/58/57/59/1406585759.db2.gz PSJLJRDGXMODEH-UHFFFAOYSA-N 1 1 392.503 3.245 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223815 1406657811 /nfs/dbraw/zinc/65/78/11/1406657811.db2.gz XILCRSYGSBHVFX-RXVVDRJESA-N 1 1 393.535 3.298 20 30 GGEDMO CC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340230 1406696386 /nfs/dbraw/zinc/69/63/86/1406696386.db2.gz ISFQUMJVKXDTIT-QGZVFWFLSA-N 1 1 378.476 3.357 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)NCc3cccc(Cl)c3)CC2)cc1 ZINC000054454779 1406741799 /nfs/dbraw/zinc/74/17/99/1406741799.db2.gz CHPNYFBKRZYRRC-UHFFFAOYSA-N 1 1 396.922 3.036 20 30 GGEDMO CCc1ccccc1NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054642752 1406793139 /nfs/dbraw/zinc/79/31/39/1406793139.db2.gz NIPXZJBODXFJRT-UHFFFAOYSA-N 1 1 376.504 3.267 20 30 GGEDMO Cc1noc([C@@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000054677215 1406803356 /nfs/dbraw/zinc/80/33/56/1406803356.db2.gz QNAPJNUEHONEJY-CQSZACIVSA-N 1 1 399.520 3.398 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000054990030 1406867069 /nfs/dbraw/zinc/86/70/69/1406867069.db2.gz IEIGJZGHZUECEP-UHFFFAOYSA-N 1 1 378.398 3.326 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000054990030 1406867072 /nfs/dbraw/zinc/86/70/72/1406867072.db2.gz IEIGJZGHZUECEP-UHFFFAOYSA-N 1 1 378.398 3.326 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055030452 1406873312 /nfs/dbraw/zinc/87/33/12/1406873312.db2.gz FOLRJHLNYAACCG-MRXNPFEDSA-N 1 1 391.475 3.171 20 30 GGEDMO Cc1ccccc1NC(=O)[C@@H](C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055102329 1406885674 /nfs/dbraw/zinc/88/56/74/1406885674.db2.gz FGOJMDULSQUIQG-LJQANCHMSA-N 1 1 376.504 3.402 20 30 GGEDMO N#CC1(NC(=O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000055122411 1406890932 /nfs/dbraw/zinc/89/09/32/1406890932.db2.gz WDSSNKFRANZYFN-UHFFFAOYSA-N 1 1 388.943 3.190 20 30 GGEDMO N#CC1(NC(=O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000055122411 1406890934 /nfs/dbraw/zinc/89/09/34/1406890934.db2.gz WDSSNKFRANZYFN-UHFFFAOYSA-N 1 1 388.943 3.190 20 30 GGEDMO C[C@@H](C(=O)NCCC1=CCCCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172694 1406897572 /nfs/dbraw/zinc/89/75/72/1406897572.db2.gz BUFLMXADYXUCLF-FQEVSTJZSA-N 1 1 394.563 3.461 20 30 GGEDMO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172694 1406897573 /nfs/dbraw/zinc/89/75/73/1406897573.db2.gz BUFLMXADYXUCLF-FQEVSTJZSA-N 1 1 394.563 3.461 20 30 GGEDMO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172694 1406897574 /nfs/dbraw/zinc/89/75/74/1406897574.db2.gz BUFLMXADYXUCLF-FQEVSTJZSA-N 1 1 394.563 3.461 20 30 GGEDMO COc1ccccc1[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000055277775 1406919065 /nfs/dbraw/zinc/91/90/65/1406919065.db2.gz STJYLEYPCGBXHS-HXUWFJFHSA-N 1 1 399.516 3.072 20 30 GGEDMO COc1ccc(OCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000055294225 1406922991 /nfs/dbraw/zinc/92/29/91/1406922991.db2.gz QLHNRUIUVRCDMK-UHFFFAOYSA-N 1 1 393.487 3.070 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCOc3ccccc3F)CC2)cc1 ZINC000055309734 1406926019 /nfs/dbraw/zinc/92/60/19/1406926019.db2.gz QHCKGSZLCHWIJZ-UHFFFAOYSA-N 1 1 381.451 3.201 20 30 GGEDMO CC(C)(C#N)C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000055327630 1406931271 /nfs/dbraw/zinc/93/12/71/1406931271.db2.gz WIIZRFDGOARBQC-UHFFFAOYSA-N 1 1 376.504 3.493 20 30 GGEDMO CCOc1ccccc1N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000007600336 1398711690 /nfs/dbraw/zinc/71/16/90/1398711690.db2.gz IXYUATBYMVIVRX-UHFFFAOYSA-N 1 1 384.505 3.169 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012981787 1399070437 /nfs/dbraw/zinc/07/04/37/1399070437.db2.gz JYQUFFCTWVHOBK-SJLPKXTDSA-N 1 1 376.460 3.236 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012981787 1399070439 /nfs/dbraw/zinc/07/04/39/1399070439.db2.gz JYQUFFCTWVHOBK-SJLPKXTDSA-N 1 1 376.460 3.236 20 30 GGEDMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1(C#N)CCCCC1 ZINC000014929921 1399127542 /nfs/dbraw/zinc/12/75/42/1399127542.db2.gz BYRLVAQTWTWNNB-GOSISDBHSA-N 1 1 383.492 3.280 20 30 GGEDMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1(C#N)CCCCC1 ZINC000014929921 1399127550 /nfs/dbraw/zinc/12/75/50/1399127550.db2.gz BYRLVAQTWTWNNB-GOSISDBHSA-N 1 1 383.492 3.280 20 30 GGEDMO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000015092540 1399137946 /nfs/dbraw/zinc/13/79/46/1399137946.db2.gz XZURFLBBSILNBU-UHFFFAOYSA-N 1 1 385.467 3.435 20 30 GGEDMO NC(=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2)C12CC3CC(CC(C3)C1)C2 ZINC000015397278 1399160876 /nfs/dbraw/zinc/16/08/76/1399160876.db2.gz BCKQYPOYAQLDSH-UHFFFAOYSA-N 1 1 387.436 3.467 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550827 1399171355 /nfs/dbraw/zinc/17/13/55/1399171355.db2.gz SANRLGOSBCMVHL-INIZCTEOSA-N 1 1 376.460 3.236 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000016734794 1399259483 /nfs/dbraw/zinc/25/94/83/1399259483.db2.gz KILHNMCTUUJTKN-PZJWPPBQSA-N 1 1 381.501 3.004 20 30 GGEDMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cccc(C#N)c1 ZINC000020945520 1399358359 /nfs/dbraw/zinc/35/83/59/1399358359.db2.gz GCNUSTRCTTVIGJ-LJQANCHMSA-N 1 1 380.444 3.238 20 30 GGEDMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000020945520 1399358365 /nfs/dbraw/zinc/35/83/65/1399358365.db2.gz GCNUSTRCTTVIGJ-LJQANCHMSA-N 1 1 380.444 3.238 20 30 GGEDMO CCN(C(C)=O)c1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000021405946 1399378099 /nfs/dbraw/zinc/37/80/99/1399378099.db2.gz QGXHXXUHHWVSOK-UHFFFAOYSA-N 1 1 397.548 3.095 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021405861 1399378482 /nfs/dbraw/zinc/37/84/82/1399378482.db2.gz BMKUPUKXJPZFHJ-MRXNPFEDSA-N 1 1 397.910 3.142 20 30 GGEDMO COc1ccc(NC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000021406086 1399378510 /nfs/dbraw/zinc/37/85/10/1399378510.db2.gz LEHAOXYUMIIPCV-GOSISDBHSA-N 1 1 392.503 3.102 20 30 GGEDMO C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406181 1399379013 /nfs/dbraw/zinc/37/90/13/1399379013.db2.gz GUPGQJXLDDWTDH-INIZCTEOSA-N 1 1 397.910 3.142 20 30 GGEDMO Cc1ccc(CNC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000021406333 1399379252 /nfs/dbraw/zinc/37/92/52/1399379252.db2.gz GKRQISNTCZDXPW-FQEVSTJZSA-N 1 1 390.531 3.079 20 30 GGEDMO 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N#Cc1ccc(C[N@H+]2CCCN(CCC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000051181005 1405738064 /nfs/dbraw/zinc/73/80/64/1405738064.db2.gz MDRGOAQZMIWVFV-UHFFFAOYSA-N 1 1 380.467 3.234 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000051181005 1405738070 /nfs/dbraw/zinc/73/80/70/1405738070.db2.gz MDRGOAQZMIWVFV-UHFFFAOYSA-N 1 1 380.467 3.234 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3csc(-c4ncccn4)n3)CC2)cc1 ZINC000051181025 1405738387 /nfs/dbraw/zinc/73/83/87/1405738387.db2.gz FVFAFQNIOUMVSJ-UHFFFAOYSA-N 1 1 390.516 3.180 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000051180951 1405738421 /nfs/dbraw/zinc/73/84/21/1405738421.db2.gz RPXSLJKOFJDIJK-UHFFFAOYSA-N 1 1 387.487 3.240 20 30 GGEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000051181004 1405738523 /nfs/dbraw/zinc/73/85/23/1405738523.db2.gz JYQPSWVWASOSDR-UHFFFAOYSA-N 1 1 380.448 3.183 20 30 GGEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1OC ZINC000051283558 1405775356 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CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401102 1409103738 /nfs/dbraw/zinc/10/37/38/1409103738.db2.gz OGDQOISVWMULNJ-WOJBJXKFSA-N 1 1 377.916 3.140 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067401104 1409104247 /nfs/dbraw/zinc/10/42/47/1409104247.db2.gz OGDQOISVWMULNJ-VQTJNVASSA-N 1 1 377.916 3.140 20 30 GGEDMO C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000067437261 1409117201 /nfs/dbraw/zinc/11/72/01/1409117201.db2.gz FCGDFYUHSCRSBS-LJQANCHMSA-N 1 1 398.551 3.420 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000067491580 1409134782 /nfs/dbraw/zinc/13/47/82/1409134782.db2.gz TUNZCHDOVBLAQJ-LJQANCHMSA-N 1 1 397.475 3.126 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000067497881 1409137783 /nfs/dbraw/zinc/13/77/83/1409137783.db2.gz QJVIZRKSESGTOK-HDICACEKSA-N 1 1 387.524 3.064 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000067498509 1409138385 /nfs/dbraw/zinc/13/83/85/1409138385.db2.gz QBXBSCJHJQMWQZ-GOSISDBHSA-N 1 1 387.524 3.351 20 30 GGEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)c2)CCO1 ZINC000067607359 1409186413 /nfs/dbraw/zinc/18/64/13/1409186413.db2.gz RRVRHJDSRNEASC-SFHVURJKSA-N 1 1 392.503 3.121 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)c2)CCO1 ZINC000067607359 1409186424 /nfs/dbraw/zinc/18/64/24/1409186424.db2.gz RRVRHJDSRNEASC-SFHVURJKSA-N 1 1 392.503 3.121 20 30 GGEDMO C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000067607635 1409187579 /nfs/dbraw/zinc/18/75/79/1409187579.db2.gz KEBZFUXGHLQJJF-MSOLQXFVSA-N 1 1 392.503 3.339 20 30 GGEDMO C[C@H](NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000067607635 1409187585 /nfs/dbraw/zinc/18/75/85/1409187585.db2.gz KEBZFUXGHLQJJF-MSOLQXFVSA-N 1 1 392.503 3.339 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000067735699 1409217226 /nfs/dbraw/zinc/21/72/26/1409217226.db2.gz MODYIPWOXMLUTQ-SFHVURJKSA-N 1 1 384.524 3.353 20 30 GGEDMO Cc1ccc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC2CCN(C)CC2)c1 ZINC000067952255 1409263160 /nfs/dbraw/zinc/26/31/60/1409263160.db2.gz PJFRKRSHIPXKJG-UHFFFAOYSA-O 1 1 386.516 3.044 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000068343841 1409374293 /nfs/dbraw/zinc/37/42/93/1409374293.db2.gz ICEXYNDORJAIGK-INIZCTEOSA-N 1 1 382.508 3.046 20 30 GGEDMO CCSc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000068721134 1409478779 /nfs/dbraw/zinc/47/87/79/1409478779.db2.gz KWJRLRGHFCADSM-UHFFFAOYSA-N 1 1 380.517 3.413 20 30 GGEDMO CCSc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000068721134 1409478783 /nfs/dbraw/zinc/47/87/83/1409478783.db2.gz KWJRLRGHFCADSM-UHFFFAOYSA-N 1 1 380.517 3.413 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000068857524 1409508588 /nfs/dbraw/zinc/50/85/88/1409508588.db2.gz XGPIHKINSIFBLS-HXUWFJFHSA-N 1 1 377.444 3.095 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000068857524 1409508594 /nfs/dbraw/zinc/50/85/94/1409508594.db2.gz XGPIHKINSIFBLS-HXUWFJFHSA-N 1 1 377.444 3.095 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000068857687 1409509193 /nfs/dbraw/zinc/50/91/93/1409509193.db2.gz LMJTXSSEBXJHNE-FQEVSTJZSA-N 1 1 377.444 3.095 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000068857687 1409509199 /nfs/dbraw/zinc/50/91/99/1409509199.db2.gz LMJTXSSEBXJHNE-FQEVSTJZSA-N 1 1 377.444 3.095 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNS(=O)(=O)CCCCC#N)cc2)C1 ZINC000068881212 1409514364 /nfs/dbraw/zinc/51/43/64/1409514364.db2.gz IAGLCCKCTKWLGW-HDICACEKSA-N 1 1 377.554 3.278 20 30 GGEDMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000068958051 1409532217 /nfs/dbraw/zinc/53/22/17/1409532217.db2.gz SWTCSVRLWCLQQO-GOSISDBHSA-N 1 1 386.496 3.266 20 30 GGEDMO Cc1ccccc1C[N@@H+]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000068968349 1409535696 /nfs/dbraw/zinc/53/56/96/1409535696.db2.gz YRXJHALPLKEOGA-FQEVSTJZSA-N 1 1 382.552 3.234 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069088186 1409561299 /nfs/dbraw/zinc/56/12/99/1409561299.db2.gz UPZDJSYSRJDDIF-SFHVURJKSA-N 1 1 392.503 3.282 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCN(C)c2ccccc2C1 ZINC000069088186 1409561305 /nfs/dbraw/zinc/56/13/05/1409561305.db2.gz UPZDJSYSRJDDIF-SFHVURJKSA-N 1 1 392.503 3.282 20 30 GGEDMO CN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2ccccc21 ZINC000069088738 1409562210 /nfs/dbraw/zinc/56/22/10/1409562210.db2.gz MLSGKYBAULALPP-UHFFFAOYSA-N 1 1 380.517 3.389 20 30 GGEDMO N#Cc1ccc(Oc2ccc(NC(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000069203027 1409585287 /nfs/dbraw/zinc/58/52/87/1409585287.db2.gz VKACVPKMMDTCCS-UHFFFAOYSA-N 1 1 380.448 3.194 20 30 GGEDMO CC(C)(CNC(=O)NCc1ccc(OCC#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000069262053 1409597316 /nfs/dbraw/zinc/59/73/16/1409597316.db2.gz ZLIRJUUDZGBEGN-UHFFFAOYSA-N 1 1 392.503 3.225 20 30 GGEDMO N#CCOc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000069282490 1409603533 /nfs/dbraw/zinc/60/35/33/1409603533.db2.gz FMCJSCAGHHOBHL-HXUWFJFHSA-N 1 1 378.476 3.053 20 30 GGEDMO C#CCOc1cccc(NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000069343442 1409618347 /nfs/dbraw/zinc/61/83/47/1409618347.db2.gz VHNHPWYOYMQNLE-HDICACEKSA-N 1 1 385.508 3.052 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000069520777 1409647771 /nfs/dbraw/zinc/64/77/71/1409647771.db2.gz CFDJIOOVMDFEIH-LADGPHEKSA-N 1 1 394.515 3.462 20 30 GGEDMO COc1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)ccc1SC ZINC000069687383 1409675127 /nfs/dbraw/zinc/67/51/27/1409675127.db2.gz ZMEFGHDQWYJCRB-GOSISDBHSA-N 1 1 386.517 3.355 20 30 GGEDMO C=CCc1cc(CNC(=O)N2CCC[N@H+](C(C)C)CC2)cc(OC)c1OC ZINC000069822750 1409708726 /nfs/dbraw/zinc/70/87/26/1409708726.db2.gz USMVFOHAEOMIBH-UHFFFAOYSA-N 1 1 375.513 3.058 20 30 GGEDMO C=CC[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)CC1CCCCC1 ZINC000069859756 1409716051 /nfs/dbraw/zinc/71/60/51/1409716051.db2.gz ALJKFLYKLUWTFO-UHFFFAOYSA-N 1 1 375.538 3.271 20 30 GGEDMO C[C@@H](NCC1([NH+]2CCSCC2)CCCCC1)C(=O)Nc1ccccc1C#N ZINC000069874203 1409719536 /nfs/dbraw/zinc/71/95/36/1409719536.db2.gz BJRZOELTIFKTFW-QGZVFWFLSA-N 1 1 386.565 3.227 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3ccc(F)cc3F)CC2)cc1 ZINC000069956939 1409731027 /nfs/dbraw/zinc/73/10/27/1409731027.db2.gz MUBCIBVVOHHLGU-UHFFFAOYSA-N 1 1 398.457 3.296 20 30 GGEDMO COC(=O)[C@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000176715468 1428429696 /nfs/dbraw/zinc/42/96/96/1428429696.db2.gz WGAWIHKOJGGLAG-OAQYLSRUSA-N 1 1 377.488 3.199 20 30 GGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2CCO)sc2c1CCCCC2 ZINC000070823661 1409784706 /nfs/dbraw/zinc/78/47/06/1409784706.db2.gz WFZXVRAWONQWLO-OAHLLOKOSA-N 1 1 375.538 3.454 20 30 GGEDMO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[NH+](C)C)cc1 ZINC000071906039 1409829527 /nfs/dbraw/zinc/82/95/27/1409829527.db2.gz STGMBSXFFKMQRO-IBGZPJMESA-N 1 1 391.924 3.355 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176721536 1428434013 /nfs/dbraw/zinc/43/40/13/1428434013.db2.gz KKIIEPNPKNVVNY-FXAWDEMLSA-N 1 1 393.487 3.115 20 30 GGEDMO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3ccccc3C#N)CC2)c1C ZINC000072073572 1409845549 /nfs/dbraw/zinc/84/55/49/1409845549.db2.gz YQXYFJBEKPRSEM-OAQYLSRUSA-N 1 1 379.504 3.045 20 30 GGEDMO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072868885 1409854618 /nfs/dbraw/zinc/85/46/18/1409854618.db2.gz MSHOCPZUWRNJAJ-NRFANRHFSA-N 1 1 376.504 3.341 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072868885 1409854622 /nfs/dbraw/zinc/85/46/22/1409854622.db2.gz MSHOCPZUWRNJAJ-NRFANRHFSA-N 1 1 376.504 3.341 20 30 GGEDMO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000072869305 1409854673 /nfs/dbraw/zinc/85/46/73/1409854673.db2.gz DZNZNWNAMYZWJL-OAQYLSRUSA-N 1 1 376.504 3.341 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000072869305 1409854674 /nfs/dbraw/zinc/85/46/74/1409854674.db2.gz DZNZNWNAMYZWJL-OAQYLSRUSA-N 1 1 376.504 3.341 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000072895701 1409854937 /nfs/dbraw/zinc/85/49/37/1409854937.db2.gz MZPPXYARLVFXKH-MOPGFXCFSA-N 1 1 376.504 3.482 20 30 GGEDMO C[C@H]1CCN(CCC(=O)Nc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000072895657 1409854979 /nfs/dbraw/zinc/85/49/79/1409854979.db2.gz WVGSGCDTUCZTOW-IBGZPJMESA-N 1 1 376.504 3.483 20 30 GGEDMO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000072895657 1409854980 /nfs/dbraw/zinc/85/49/80/1409854980.db2.gz WVGSGCDTUCZTOW-IBGZPJMESA-N 1 1 376.504 3.483 20 30 GGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000072895657 1409854984 /nfs/dbraw/zinc/85/49/84/1409854984.db2.gz WVGSGCDTUCZTOW-IBGZPJMESA-N 1 1 376.504 3.483 20 30 GGEDMO C[C@@H](C(=O)N(C)c1ccccc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000073396953 1409860464 /nfs/dbraw/zinc/86/04/64/1409860464.db2.gz IHVJEDALFIPBOO-IBGZPJMESA-N 1 1 376.504 3.117 20 30 GGEDMO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000073396953 1409860474 /nfs/dbraw/zinc/86/04/74/1409860474.db2.gz IHVJEDALFIPBOO-IBGZPJMESA-N 1 1 376.504 3.117 20 30 GGEDMO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000073396953 1409860475 /nfs/dbraw/zinc/86/04/75/1409860475.db2.gz IHVJEDALFIPBOO-IBGZPJMESA-N 1 1 376.504 3.117 20 30 GGEDMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000076969621 1409892629 /nfs/dbraw/zinc/89/26/29/1409892629.db2.gz ZFTGTSYKJGMPNK-LJQANCHMSA-N 1 1 376.504 3.117 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1ccccc1C#N ZINC000077371988 1409896020 /nfs/dbraw/zinc/89/60/20/1409896020.db2.gz MQCHYYKRSURBRC-LJQANCHMSA-N 1 1 376.504 3.483 20 30 GGEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000077371988 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393.487 3.069 20 30 GGEDMO N#Cc1cc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000104999347 1411011266 /nfs/dbraw/zinc/01/12/66/1411011266.db2.gz RYRVKMVDZRLUNW-OAHLLOKOSA-N 1 1 382.386 3.201 20 30 GGEDMO Cc1ccc(NCCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[nH+]c1 ZINC000105139171 1411033830 /nfs/dbraw/zinc/03/38/30/1411033830.db2.gz VWBCVDOGSUCNNX-UHFFFAOYSA-N 1 1 393.491 3.317 20 30 GGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000105181639 1411039243 /nfs/dbraw/zinc/03/92/43/1411039243.db2.gz LAABHCBVUJYSST-ZWKOTPCHSA-N 1 1 384.524 3.231 20 30 GGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000105181637 1411039511 /nfs/dbraw/zinc/03/95/11/1411039511.db2.gz LAABHCBVUJYSST-QZTJIDSGSA-N 1 1 384.524 3.231 20 30 GGEDMO N#CC1CCN(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000105222466 1411043751 /nfs/dbraw/zinc/04/37/51/1411043751.db2.gz VITVCPHVTUGLPE-UHFFFAOYSA-N 1 1 393.491 3.251 20 30 GGEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106524443 1411231783 /nfs/dbraw/zinc/23/17/83/1411231783.db2.gz HLLVUAOSKYJINF-KRWDZBQOSA-N 1 1 379.426 3.373 20 30 GGEDMO N#Cc1csc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c1 ZINC000177006712 1428550812 /nfs/dbraw/zinc/55/08/12/1428550812.db2.gz UTAFHEYOVLMGOC-UHFFFAOYSA-N 1 1 380.473 3.159 20 30 GGEDMO CC(C)c1nc2c(n1C)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000106861142 1411310688 /nfs/dbraw/zinc/31/06/88/1411310688.db2.gz CXULUKFNTIKLBU-UHFFFAOYSA-N 1 1 397.548 3.352 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C#N)cc2F)C(C)C)cc1 ZINC000107307553 1411359147 /nfs/dbraw/zinc/35/91/47/1411359147.db2.gz XJNNNNBKPOICJP-FQEVSTJZSA-N 1 1 399.466 3.306 20 30 GGEDMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000177033409 1428562016 /nfs/dbraw/zinc/56/20/16/1428562016.db2.gz KFHOJYUTDDHVOX-QGZVFWFLSA-N 1 1 376.932 3.250 20 30 GGEDMO COc1cccc(C2CC(=O)C(=CNCCC[N@H+]3CCCC[C@H]3C)C(=O)C2)c1 ZINC000108178313 1411448491 /nfs/dbraw/zinc/44/84/91/1411448491.db2.gz DCUWZZQAOXSDIL-DUSLRRAJSA-N 1 1 384.520 3.449 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC([C@@H](O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000108386695 1411485905 /nfs/dbraw/zinc/48/59/05/1411485905.db2.gz BLKVYKNGUBWBTF-YADHBBJMSA-N 1 1 393.462 3.248 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108388617 1411486524 /nfs/dbraw/zinc/48/65/24/1411486524.db2.gz NFTANARFCHOXMQ-YCRPNKLZSA-N 1 1 381.451 3.470 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108388273 1411487178 /nfs/dbraw/zinc/48/71/78/1411487178.db2.gz BURPVNVEZJXOST-YCRPNKLZSA-N 1 1 381.451 3.470 20 30 GGEDMO Cc1nc(C)c(CCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000108445991 1411504137 /nfs/dbraw/zinc/50/41/37/1411504137.db2.gz WFYPZVQXBNEROP-UHFFFAOYSA-N 1 1 397.548 3.092 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000108508271 1411524495 /nfs/dbraw/zinc/52/44/95/1411524495.db2.gz GDNIVEXKVXYDSZ-FQEVSTJZSA-N 1 1 382.508 3.107 20 30 GGEDMO C#CCOc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000108517670 1411527249 /nfs/dbraw/zinc/52/72/49/1411527249.db2.gz WWLPVBADGPDUSB-FQEVSTJZSA-N 1 1 377.488 3.385 20 30 GGEDMO C#CCOc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000108521728 1411528191 /nfs/dbraw/zinc/52/81/91/1411528191.db2.gz CUMKGYJEZUDKPR-FQEVSTJZSA-N 1 1 377.488 3.385 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000108530442 1411531300 /nfs/dbraw/zinc/53/13/00/1411531300.db2.gz LYZKJZFPJXNPQO-INIZCTEOSA-N 1 1 389.569 3.086 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108605211 1411549460 /nfs/dbraw/zinc/54/94/60/1411549460.db2.gz NVGSLOZMVGAMOC-INIZCTEOSA-N 1 1 388.537 3.012 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C[N@H+]1C1CC1 ZINC000177069905 1428576794 /nfs/dbraw/zinc/57/67/94/1428576794.db2.gz YZVWROGUSYPXJU-UZLBHIALSA-N 1 1 375.472 3.492 20 30 GGEDMO N#Cc1ccccc1COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000108783663 1411608967 /nfs/dbraw/zinc/60/89/67/1411608967.db2.gz OTLXATSJZOMJLM-KRWDZBQOSA-N 1 1 375.472 3.351 20 30 GGEDMO COCC[NH+]1CCC(NCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000109015475 1411661598 /nfs/dbraw/zinc/66/15/98/1411661598.db2.gz IYKAOYXZEKQAHN-UHFFFAOYSA-N 1 1 379.504 3.338 20 30 GGEDMO C[NH+](C)[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000109304100 1411737104 /nfs/dbraw/zinc/73/71/04/1411737104.db2.gz QNDFVWCPDLVCGA-NQIIRXRSSA-N 1 1 380.467 3.085 20 30 GGEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NS(=O)(=O)CCCCC#N ZINC000109338869 1411743631 /nfs/dbraw/zinc/74/36/31/1411743631.db2.gz KYFOSWBMOYKTKZ-LJQANCHMSA-N 1 1 377.554 3.073 20 30 GGEDMO COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000109356976 1411747523 /nfs/dbraw/zinc/74/75/23/1411747523.db2.gz AUSBCTUTWFPBPA-INIZCTEOSA-N 1 1 389.459 3.384 20 30 GGEDMO COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000109356976 1411747527 /nfs/dbraw/zinc/74/75/27/1411747527.db2.gz AUSBCTUTWFPBPA-INIZCTEOSA-N 1 1 389.459 3.384 20 30 GGEDMO CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000109679772 1411803353 /nfs/dbraw/zinc/80/33/53/1411803353.db2.gz UYJLQYWZMCSRRO-HKUYNNGSSA-N 1 1 384.524 3.294 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2ccccc2O)c1C#N ZINC000109771705 1411808939 /nfs/dbraw/zinc/80/89/39/1411808939.db2.gz FFIYPNFJPAKDMY-UHFFFAOYSA-N 1 1 392.459 3.394 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2ccccc2O)c1C#N ZINC000109771705 1411808940 /nfs/dbraw/zinc/80/89/40/1411808940.db2.gz FFIYPNFJPAKDMY-UHFFFAOYSA-N 1 1 392.459 3.394 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000109818164 1411812327 /nfs/dbraw/zinc/81/23/27/1411812327.db2.gz OWHORVRERNPBIU-FQEVSTJZSA-N 1 1 376.460 3.014 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1O ZINC000110084317 1411830677 /nfs/dbraw/zinc/83/06/77/1411830677.db2.gz NYYUZAGNRQFWQG-UHFFFAOYSA-N 1 1 389.459 3.300 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3cc(N4CCCCC4)ncn3)CC2)cc1 ZINC000110124526 1411832609 /nfs/dbraw/zinc/83/26/09/1411832609.db2.gz ZHRXEIJQAMTENS-UHFFFAOYSA-N 1 1 376.508 3.051 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cc1ccc(OCC#N)cc1 ZINC000110188551 1411836198 /nfs/dbraw/zinc/83/61/98/1411836198.db2.gz IGGHEFHEULWYGP-UNMCSNQZSA-N 1 1 375.472 3.274 20 30 GGEDMO CC[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000110207802 1411837644 /nfs/dbraw/zinc/83/76/44/1411837644.db2.gz BKGYGSYSMRWOOB-NRFANRHFSA-N 1 1 377.488 3.085 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110851604 1411873586 /nfs/dbraw/zinc/87/35/86/1411873586.db2.gz ZFTZZWGIEMVPAW-NRFANRHFSA-N 1 1 392.503 3.040 20 30 GGEDMO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000177158085 1428603550 /nfs/dbraw/zinc/60/35/50/1428603550.db2.gz LGPLLKYFGAYBET-HXUWFJFHSA-N 1 1 375.428 3.326 20 30 GGEDMO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000177158085 1428603553 /nfs/dbraw/zinc/60/35/53/1428603553.db2.gz LGPLLKYFGAYBET-HXUWFJFHSA-N 1 1 375.428 3.326 20 30 GGEDMO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000177158069 1428603816 /nfs/dbraw/zinc/60/38/16/1428603816.db2.gz LGPLLKYFGAYBET-FQEVSTJZSA-N 1 1 375.428 3.326 20 30 GGEDMO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1 ZINC000177158069 1428603821 /nfs/dbraw/zinc/60/38/21/1428603821.db2.gz LGPLLKYFGAYBET-FQEVSTJZSA-N 1 1 375.428 3.326 20 30 GGEDMO C[C@H](CN1CCOCC1)[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000111057463 1411884803 /nfs/dbraw/zinc/88/48/03/1411884803.db2.gz HUCWHQHNPIAKNR-HXUWFJFHSA-N 1 1 379.504 3.160 20 30 GGEDMO C=CC1CC[NH+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000111256423 1411897940 /nfs/dbraw/zinc/89/79/40/1411897940.db2.gz RYHXPUMOSJBOQP-SFHVURJKSA-N 1 1 396.535 3.254 20 30 GGEDMO C=CC1CC[NH+](Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCC)CC1 ZINC000111257283 1411897964 /nfs/dbraw/zinc/89/79/64/1411897964.db2.gz SABNYLGEVYFWKB-UHFFFAOYSA-N 1 1 390.553 3.095 20 30 GGEDMO C=CC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)CC1 ZINC000111259085 1411898054 /nfs/dbraw/zinc/89/80/54/1411898054.db2.gz FHJIFKKJJPZYSG-MRXNPFEDSA-N 1 1 381.398 3.191 20 30 GGEDMO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CCC1 ZINC000111295977 1411902081 /nfs/dbraw/zinc/90/20/81/1411902081.db2.gz INCUXBRSUWVGOT-KRWDZBQOSA-N 1 1 384.524 3.088 20 30 GGEDMO C#CCOc1cccc(NC(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000111765696 1412026693 /nfs/dbraw/zinc/02/66/93/1412026693.db2.gz QOXVUSVNQXCYAY-UHFFFAOYSA-N 1 1 396.491 3.337 20 30 GGEDMO CCOCC[NH+]1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000111766850 1412027245 /nfs/dbraw/zinc/02/72/45/1412027245.db2.gz MBAGMGLBKDJXPV-INIZCTEOSA-N 1 1 376.526 3.267 20 30 GGEDMO C[NH+](C)[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000111796118 1412029908 /nfs/dbraw/zinc/02/99/08/1412029908.db2.gz VFVRSBFJHRYDRE-CTWPCTMYSA-N 1 1 396.491 3.443 20 30 GGEDMO C[NH+](C)[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000111796117 1412030363 /nfs/dbraw/zinc/03/03/63/1412030363.db2.gz VFVRSBFJHRYDRE-ACBHZAAOSA-N 1 1 396.491 3.443 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000111911615 1412049453 /nfs/dbraw/zinc/04/94/53/1412049453.db2.gz PJGGCEIXFSTJTP-SFHVURJKSA-N 1 1 395.503 3.217 20 30 GGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000111914401 1412052101 /nfs/dbraw/zinc/05/21/01/1412052101.db2.gz KMNQTCSVBDZVRG-AWEZNQCLSA-N 1 1 390.915 3.167 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000111917505 1412053328 /nfs/dbraw/zinc/05/33/28/1412053328.db2.gz ZZYMUOASKXKLBG-UHFFFAOYSA-N 1 1 393.487 3.232 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000111917505 1412053337 /nfs/dbraw/zinc/05/33/37/1412053337.db2.gz ZZYMUOASKXKLBG-UHFFFAOYSA-N 1 1 393.487 3.232 20 30 GGEDMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+](C)CCC#N)cc1 ZINC000177184527 1428620247 /nfs/dbraw/zinc/62/02/47/1428620247.db2.gz TURAGYMSFBUBDO-UHFFFAOYSA-N 1 1 380.448 3.122 20 30 GGEDMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+](C)CCC#N)cc1 ZINC000177184527 1428620255 /nfs/dbraw/zinc/62/02/55/1428620255.db2.gz TURAGYMSFBUBDO-UHFFFAOYSA-N 1 1 380.448 3.122 20 30 GGEDMO NC(=[NH+]OCc1coc(-c2ccc(Br)cc2)n1)C1CCOCC1 ZINC000112087117 1412073971 /nfs/dbraw/zinc/07/39/71/1412073971.db2.gz BRJBKDZGRHEVGK-UHFFFAOYSA-N 1 1 380.242 3.320 20 30 GGEDMO CCS[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000112088919 1412074997 /nfs/dbraw/zinc/07/49/97/1412074997.db2.gz FCJTYRCNEMWUIA-SFHVURJKSA-N 1 1 383.521 3.290 20 30 GGEDMO CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000112088919 1412075003 /nfs/dbraw/zinc/07/50/03/1412075003.db2.gz FCJTYRCNEMWUIA-SFHVURJKSA-N 1 1 383.521 3.290 20 30 GGEDMO CCOC(=O)C(C)(C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000112357160 1412134504 /nfs/dbraw/zinc/13/45/04/1412134504.db2.gz XZFXOOMOPKZAGF-UHFFFAOYSA-N 1 1 377.510 3.101 20 30 GGEDMO CCOC(=O)C(C)(C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000112357160 1412134510 /nfs/dbraw/zinc/13/45/10/1412134510.db2.gz XZFXOOMOPKZAGF-UHFFFAOYSA-N 1 1 377.510 3.101 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@H]2CCO)c1C#N ZINC000112582829 1412172529 /nfs/dbraw/zinc/17/25/29/1412172529.db2.gz UOMNFSMZSFWKSL-FQEVSTJZSA-N 1 1 394.519 3.200 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@H]2CCO)c1C#N ZINC000112582829 1412172530 /nfs/dbraw/zinc/17/25/30/1412172530.db2.gz UOMNFSMZSFWKSL-FQEVSTJZSA-N 1 1 394.519 3.200 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2CCO)c1C#N ZINC000112582826 1412173001 /nfs/dbraw/zinc/17/30/01/1412173001.db2.gz UOMNFSMZSFWKSL-HXUWFJFHSA-N 1 1 394.519 3.200 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@@H]2CCO)c1C#N ZINC000112582826 1412173014 /nfs/dbraw/zinc/17/30/14/1412173014.db2.gz UOMNFSMZSFWKSL-HXUWFJFHSA-N 1 1 394.519 3.200 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112700035 1412195661 /nfs/dbraw/zinc/19/56/61/1412195661.db2.gz YEFQOHNYJHDCJM-RBUKOAKNSA-N 1 1 398.551 3.196 20 30 GGEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(C)C ZINC000112919882 1412240192 /nfs/dbraw/zinc/24/01/92/1412240192.db2.gz DHLWSNVJMJKBPM-QGZVFWFLSA-N 1 1 398.956 3.172 20 30 GGEDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000112988688 1412251919 /nfs/dbraw/zinc/25/19/19/1412251919.db2.gz UQXKFBWZYIQLAV-SFHVURJKSA-N 1 1 380.492 3.263 20 30 GGEDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000112988688 1412251924 /nfs/dbraw/zinc/25/19/24/1412251924.db2.gz UQXKFBWZYIQLAV-SFHVURJKSA-N 1 1 380.492 3.263 20 30 GGEDMO COc1ccc([C@H](CO)[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000112997137 1412252744 /nfs/dbraw/zinc/25/27/44/1412252744.db2.gz VLBIVXCKRXFBKF-QFIPXVFZSA-N 1 1 395.503 3.224 20 30 GGEDMO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000112997137 1412252753 /nfs/dbraw/zinc/25/27/53/1412252753.db2.gz VLBIVXCKRXFBKF-QFIPXVFZSA-N 1 1 395.503 3.224 20 30 GGEDMO COc1ccc([C@H](CO)[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000112996853 1412253020 /nfs/dbraw/zinc/25/30/20/1412253020.db2.gz NCBOVCOGRSGYED-IBGZPJMESA-N 1 1 387.867 3.214 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cccc(OCC#N)c3)cc2)C[C@@H](C)O1 ZINC000113106720 1412263160 /nfs/dbraw/zinc/26/31/60/1412263160.db2.gz WAVSYWKQQAXUHP-QZTJIDSGSA-N 1 1 393.487 3.128 20 30 GGEDMO CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)ccc1OC ZINC000113211724 1412276577 /nfs/dbraw/zinc/27/65/77/1412276577.db2.gz QMDXANKMNHZVBC-WIYYLYMNSA-N 1 1 381.476 3.295 20 30 GGEDMO C[N@H+](CCc1ccc(Cl)cc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000113246649 1412282264 /nfs/dbraw/zinc/28/22/64/1412282264.db2.gz NBWOYQXWQPAGEE-UHFFFAOYSA-N 1 1 396.878 3.108 20 30 GGEDMO C[N@@H+](CCc1ccc(Cl)cc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000113246649 1412282270 /nfs/dbraw/zinc/28/22/70/1412282270.db2.gz NBWOYQXWQPAGEE-UHFFFAOYSA-N 1 1 396.878 3.108 20 30 GGEDMO Cc1cc(C)c(NC(=O)[C@H](C)ON=C(N)C[N@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000113250274 1412283179 /nfs/dbraw/zinc/28/31/79/1412283179.db2.gz XAKCDMFKUKEOLS-GJZGRUSLSA-N 1 1 380.920 3.447 20 30 GGEDMO C#CCOc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000113328837 1412293143 /nfs/dbraw/zinc/29/31/43/1412293143.db2.gz HJHSVIUNHYKJLR-UHFFFAOYSA-N 1 1 386.517 3.065 20 30 GGEDMO N#CCOc1cccc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000113380486 1412301567 /nfs/dbraw/zinc/30/15/67/1412301567.db2.gz UQNNYENDKUBYDE-FQEVSTJZSA-N 1 1 378.476 3.053 20 30 GGEDMO N#CCOc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000113410488 1412304507 /nfs/dbraw/zinc/30/45/07/1412304507.db2.gz MHJMHBOUOCLOHZ-UHFFFAOYSA-N 1 1 396.466 3.146 20 30 GGEDMO N#CCOc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000113410488 1412304513 /nfs/dbraw/zinc/30/45/13/1412304513.db2.gz MHJMHBOUOCLOHZ-UHFFFAOYSA-N 1 1 396.466 3.146 20 30 GGEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000113646089 1412328940 /nfs/dbraw/zinc/32/89/40/1412328940.db2.gz OOFLXCCEVYQILG-INIZCTEOSA-N 1 1 388.537 3.012 20 30 GGEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000113992014 1412364536 /nfs/dbraw/zinc/36/45/36/1412364536.db2.gz ODZMYKMYHNMMIY-LAUBAEHRSA-N 1 1 377.488 3.431 20 30 GGEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000113992014 1412364543 /nfs/dbraw/zinc/36/45/43/1412364543.db2.gz ODZMYKMYHNMMIY-LAUBAEHRSA-N 1 1 377.488 3.431 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000113997832 1412365611 /nfs/dbraw/zinc/36/56/11/1412365611.db2.gz UWEAUWBABZWAHG-FCEUIQTBSA-N 1 1 385.552 3.079 20 30 GGEDMO C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000114044000 1412374616 /nfs/dbraw/zinc/37/46/16/1412374616.db2.gz BMSBMGBJHYCLTR-MOPGFXCFSA-N 1 1 399.535 3.303 20 30 GGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000114187703 1412390114 /nfs/dbraw/zinc/39/01/14/1412390114.db2.gz LKLKZJCDWPBFKS-DLBZAZTESA-N 1 1 375.538 3.453 20 30 GGEDMO N#Cc1c(NC(=O)CC[N@H+](CCO)[C@@H]2CCc3ccccc32)sc2c1CCC2 ZINC000114192545 1412391588 /nfs/dbraw/zinc/39/15/88/1412391588.db2.gz QSJBMPTXAFHSPV-LJQANCHMSA-N 1 1 395.528 3.419 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(Cc2ccccc2)CC1 ZINC000114200172 1412393293 /nfs/dbraw/zinc/39/32/93/1412393293.db2.gz AFIQIKNDIQAEFG-UHFFFAOYSA-N 1 1 376.504 3.483 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CC(C)(C)O ZINC000114204490 1412393361 /nfs/dbraw/zinc/39/33/61/1412393361.db2.gz KWZGDALRNMEPBU-UHFFFAOYSA-N 1 1 386.471 3.136 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)c(F)c1 ZINC000114208668 1412394095 /nfs/dbraw/zinc/39/40/95/1412394095.db2.gz FDOIFMRFNRFMJY-UHFFFAOYSA-N 1 1 377.423 3.112 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000114726284 1412512869 /nfs/dbraw/zinc/51/28/69/1412512869.db2.gz WJNDMTLUOGUUAQ-FQEVSTJZSA-N 1 1 394.519 3.464 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000114726284 1412512874 /nfs/dbraw/zinc/51/28/74/1412512874.db2.gz WJNDMTLUOGUUAQ-FQEVSTJZSA-N 1 1 394.519 3.464 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000114810910 1412531102 /nfs/dbraw/zinc/53/11/02/1412531102.db2.gz ABZCLJQIALUQBX-NRFANRHFSA-N 1 1 392.503 3.389 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000114850188 1412541102 /nfs/dbraw/zinc/54/11/02/1412541102.db2.gz QNGOUPGTOIUZSJ-INIZCTEOSA-N 1 1 385.489 3.061 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000115271537 1412628948 /nfs/dbraw/zinc/62/89/48/1412628948.db2.gz DOCXQRZOUVRKLK-XLIONFOSSA-N 1 1 389.565 3.045 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)cc1 ZINC000115323737 1412647185 /nfs/dbraw/zinc/64/71/85/1412647185.db2.gz NZPCDAVAFOWUJC-UHFFFAOYSA-N 1 1 377.463 3.463 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)cc1 ZINC000115323737 1412647191 /nfs/dbraw/zinc/64/71/91/1412647191.db2.gz NZPCDAVAFOWUJC-UHFFFAOYSA-N 1 1 377.463 3.463 20 30 GGEDMO N#Cc1ccc(OCc2cccc(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)c2)cc1 ZINC000115341368 1412652842 /nfs/dbraw/zinc/65/28/42/1412652842.db2.gz HZGUZDWHSUUEIK-IBGZPJMESA-N 1 1 375.472 3.351 20 30 GGEDMO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)c2)cc1 ZINC000115376037 1412660829 /nfs/dbraw/zinc/66/08/29/1412660829.db2.gz DVBBAYRPTORYSM-OAQYLSRUSA-N 1 1 375.472 3.351 20 30 GGEDMO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)c2)c1 ZINC000115376021 1412661203 /nfs/dbraw/zinc/66/12/03/1412661203.db2.gz SGWGFCRFYBRSEC-OAQYLSRUSA-N 1 1 375.472 3.351 20 30 GGEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000115433511 1412674611 /nfs/dbraw/zinc/67/46/11/1412674611.db2.gz OJXBLCNMFMQUGU-IBGZPJMESA-N 1 1 393.535 3.494 20 30 GGEDMO CC(C)c1ccc(C[NH+]2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000115532052 1412702579 /nfs/dbraw/zinc/70/25/79/1412702579.db2.gz GQXUPBNIIZLHPL-QFIPXVFZSA-N 1 1 376.504 3.026 20 30 GGEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115539781 1412703772 /nfs/dbraw/zinc/70/37/72/1412703772.db2.gz MFSCJTNGGIBNPD-NRFANRHFSA-N 1 1 391.450 3.178 20 30 GGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CN[C@H](C(N)=O)c3ccc(C#N)cc3)cc2)C1 ZINC000115597015 1412726193 /nfs/dbraw/zinc/72/61/93/1412726193.db2.gz PHUFCNAWAAWNAL-JTSKRJEESA-N 1 1 376.504 3.106 20 30 GGEDMO N#Cc1ccc([C@H](NCC2CC[NH+](Cc3ccccc3Cl)CC2)C(N)=O)cc1 ZINC000115599717 1412727306 /nfs/dbraw/zinc/72/73/06/1412727306.db2.gz MRYMHBYUZYFCHT-NRFANRHFSA-N 1 1 396.922 3.240 20 30 GGEDMO N#Cc1ccc(OCCC[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000177288714 1428673033 /nfs/dbraw/zinc/67/30/33/1428673033.db2.gz LSCZCKXFGQJPJA-UHFFFAOYSA-N 1 1 391.515 3.494 20 30 GGEDMO N#Cc1ccccc1OCC[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177289343 1428673067 /nfs/dbraw/zinc/67/30/67/1428673067.db2.gz AUOJCKZSLBVBCJ-UHFFFAOYSA-N 1 1 377.488 3.104 20 30 GGEDMO N#Cc1ccccc1OCC[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000177289343 1428673069 /nfs/dbraw/zinc/67/30/69/1428673069.db2.gz AUOJCKZSLBVBCJ-UHFFFAOYSA-N 1 1 377.488 3.104 20 30 GGEDMO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000115704333 1412767704 /nfs/dbraw/zinc/76/77/04/1412767704.db2.gz HUALARMSZLLAJX-NQIIRXRSSA-N 1 1 389.515 3.108 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000115749285 1412776746 /nfs/dbraw/zinc/77/67/46/1412776746.db2.gz KSYQGVHVSPDEGB-KDOFPFPSSA-N 1 1 378.904 3.470 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000116453169 1412862438 /nfs/dbraw/zinc/86/24/38/1412862438.db2.gz INIHLSNUCMJQDI-ROUUACIJSA-N 1 1 377.488 3.026 20 30 GGEDMO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000116713960 1412903021 /nfs/dbraw/zinc/90/30/21/1412903021.db2.gz VDUMECRYHZEDMI-UHFFFAOYSA-N 1 1 399.878 3.456 20 30 GGEDMO C#CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000117336928 1413027626 /nfs/dbraw/zinc/02/76/26/1413027626.db2.gz MWXAXNWLPDNKAZ-UHFFFAOYSA-N 1 1 383.379 3.167 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000117891554 1413086806 /nfs/dbraw/zinc/08/68/06/1413086806.db2.gz IERHMHRYJRHTPF-FQEVSTJZSA-N 1 1 379.460 3.357 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000117891554 1413086813 /nfs/dbraw/zinc/08/68/13/1413086813.db2.gz IERHMHRYJRHTPF-FQEVSTJZSA-N 1 1 379.460 3.357 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000117891556 1413086941 /nfs/dbraw/zinc/08/69/41/1413086941.db2.gz IERHMHRYJRHTPF-HXUWFJFHSA-N 1 1 379.460 3.357 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000117891556 1413086952 /nfs/dbraw/zinc/08/69/52/1413086952.db2.gz IERHMHRYJRHTPF-HXUWFJFHSA-N 1 1 379.460 3.357 20 30 GGEDMO C[C@H](c1ccc(NC(=O)NCc2cccc(OCC#N)c2)cc1)[NH+]1CCOCC1 ZINC000118031792 1413100560 /nfs/dbraw/zinc/10/05/60/1413100560.db2.gz MISVNNUJPDMXED-QGZVFWFLSA-N 1 1 394.475 3.304 20 30 GGEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000118114053 1413111851 /nfs/dbraw/zinc/11/18/51/1413111851.db2.gz REHBOJGAWKMTSD-IBGZPJMESA-N 1 1 384.524 3.197 20 30 GGEDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000118114887 1413112168 /nfs/dbraw/zinc/11/21/68/1413112168.db2.gz KHRSCTHBXPEJDT-UHFFFAOYSA-N 1 1 394.475 3.137 20 30 GGEDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000118114511 1413112246 /nfs/dbraw/zinc/11/22/46/1413112246.db2.gz KYIGEZBXXALGBP-UHFFFAOYSA-N 1 1 394.475 3.137 20 30 GGEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000118118094 1413112953 /nfs/dbraw/zinc/11/29/53/1413112953.db2.gz HVLRMQSXJKVATQ-MRXNPFEDSA-N 1 1 394.475 3.136 20 30 GGEDMO CC(C)Nc1ncccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000118761211 1413216204 /nfs/dbraw/zinc/21/62/04/1413216204.db2.gz JGEKDPGFUBWVTH-UHFFFAOYSA-N 1 1 377.492 3.122 20 30 GGEDMO CC(C)Nc1ncccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000118761211 1413216209 /nfs/dbraw/zinc/21/62/09/1413216209.db2.gz JGEKDPGFUBWVTH-UHFFFAOYSA-N 1 1 377.492 3.122 20 30 GGEDMO CC(C)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000118855183 1413247669 /nfs/dbraw/zinc/24/76/69/1413247669.db2.gz KEESOTHCZOUUBB-IRLDBZIGSA-N 1 1 386.467 3.129 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000118949566 1413270203 /nfs/dbraw/zinc/27/02/03/1413270203.db2.gz QQVIKMAEIDGDEH-IIBYNOLFSA-N 1 1 375.488 3.250 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]2C(C)(C)O)c1C#N ZINC000118980083 1413287626 /nfs/dbraw/zinc/28/76/26/1413287626.db2.gz RCWJDZMTNFYAJP-LJQANCHMSA-N 1 1 398.507 3.182 20 30 GGEDMO C[N@@H+](CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCSC1 ZINC000119014323 1413304158 /nfs/dbraw/zinc/30/41/58/1413304158.db2.gz UIKLLAPRVYGUHK-TZIWHRDSSA-N 1 1 395.528 3.384 20 30 GGEDMO C[N@@H+](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)[C@@H]1CCSC1 ZINC000119014204 1413304584 /nfs/dbraw/zinc/30/45/84/1413304584.db2.gz UIKLLAPRVYGUHK-CTNGQTDRSA-N 1 1 395.528 3.384 20 30 GGEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000119160865 1413360001 /nfs/dbraw/zinc/36/00/01/1413360001.db2.gz AILWZGMBOWASHI-XLIONFOSSA-N 1 1 379.460 3.287 20 30 GGEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000119160761 1413360380 /nfs/dbraw/zinc/36/03/80/1413360380.db2.gz AILWZGMBOWASHI-YLJYHZDGSA-N 1 1 379.460 3.287 20 30 GGEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000119461527 1413455360 /nfs/dbraw/zinc/45/53/60/1413455360.db2.gz CQHYGGANZVWRGZ-UHFFFAOYSA-N 1 1 394.427 3.026 20 30 GGEDMO C#CCCCCC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000119524169 1413474726 /nfs/dbraw/zinc/47/47/26/1413474726.db2.gz YONGSUKJVHREJW-UHFFFAOYSA-N 1 1 386.521 3.069 20 30 GGEDMO C[C@@H]1CN(c2ccc(NC(=O)CO[NH+]=C(N)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000119764096 1413559870 /nfs/dbraw/zinc/55/98/70/1413559870.db2.gz RIIHRENVPRZKOM-HZPDHXFCSA-N 1 1 388.512 3.108 20 30 GGEDMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000119794470 1413572038 /nfs/dbraw/zinc/57/20/38/1413572038.db2.gz LEVSLONOZUGNPR-QZTJIDSGSA-N 1 1 392.503 3.242 20 30 GGEDMO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000119794470 1413572043 /nfs/dbraw/zinc/57/20/43/1413572043.db2.gz LEVSLONOZUGNPR-QZTJIDSGSA-N 1 1 392.503 3.242 20 30 GGEDMO C#CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000119867501 1413598325 /nfs/dbraw/zinc/59/83/25/1413598325.db2.gz RPENVTWUUFYCPQ-NRFANRHFSA-N 1 1 377.488 3.220 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2cccc(OCC#N)c2)cc1F ZINC000119908057 1413613122 /nfs/dbraw/zinc/61/31/22/1413613122.db2.gz GGIMHEGJCSJJOY-UHFFFAOYSA-N 1 1 378.407 3.081 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000177448432 1428741264 /nfs/dbraw/zinc/74/12/64/1428741264.db2.gz FNOLSKBEBRGKFP-JOCHJYFZSA-N 1 1 399.535 3.210 20 30 GGEDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)CC1 ZINC000119943838 1413626464 /nfs/dbraw/zinc/62/64/64/1413626464.db2.gz TUQDXUPEKAXOTR-UHFFFAOYSA-N 1 1 384.430 3.226 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000119967242 1413635933 /nfs/dbraw/zinc/63/59/33/1413635933.db2.gz PBEZRUSPGVMYIZ-NQIIRXRSSA-N 1 1 390.483 3.278 20 30 GGEDMO CCOC(=O)CC1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000120054907 1413669749 /nfs/dbraw/zinc/66/97/49/1413669749.db2.gz KWCATLIUFVZBSL-UHFFFAOYSA-N 1 1 391.899 3.252 20 30 GGEDMO CN(CCC#N)c1ccc(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000120058500 1413671130 /nfs/dbraw/zinc/67/11/30/1413671130.db2.gz AXBUQEUJTDTMJX-JOCHJYFZSA-N 1 1 391.519 3.098 20 30 GGEDMO CCOC(=O)CC1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000120092258 1413684329 /nfs/dbraw/zinc/68/43/29/1413684329.db2.gz DZHLXNQYGVJBEI-UHFFFAOYSA-N 1 1 385.508 3.215 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000120119672 1413695103 /nfs/dbraw/zinc/69/51/03/1413695103.db2.gz VUUYTYUKJQOGLA-WMZOPIPTSA-N 1 1 392.507 3.083 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000120119672 1413695106 /nfs/dbraw/zinc/69/51/06/1413695106.db2.gz VUUYTYUKJQOGLA-WMZOPIPTSA-N 1 1 392.507 3.083 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000120173599 1413717774 /nfs/dbraw/zinc/71/77/74/1413717774.db2.gz LGODKYAZHBCRHU-UHFFFAOYSA-N 1 1 392.528 3.209 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000120173599 1413717781 /nfs/dbraw/zinc/71/77/81/1413717781.db2.gz LGODKYAZHBCRHU-UHFFFAOYSA-N 1 1 392.528 3.209 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000120286985 1413768739 /nfs/dbraw/zinc/76/87/39/1413768739.db2.gz YFLUNJHFEWFZGD-GOSISDBHSA-N 1 1 393.487 3.500 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(N3CCCCC3=O)CC2)cc1 ZINC000120403839 1413810858 /nfs/dbraw/zinc/81/08/58/1413810858.db2.gz ZHPRIXJWHXVPJL-IBGZPJMESA-N 1 1 396.535 3.107 20 30 GGEDMO Cc1cc(CN2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)no1 ZINC000120580145 1413847721 /nfs/dbraw/zinc/84/77/21/1413847721.db2.gz UMGQVNRHORWTKH-UHFFFAOYSA-N 1 1 390.491 3.078 20 30 GGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000120600381 1413851947 /nfs/dbraw/zinc/85/19/47/1413851947.db2.gz MNPYLFPMUXOTSS-AYOQOUSVSA-N 1 1 378.476 3.359 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccsc1 ZINC000120720824 1413884550 /nfs/dbraw/zinc/88/45/50/1413884550.db2.gz GLOPKWYLKCWUQY-SFHVURJKSA-N 1 1 395.525 3.261 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccsc1 ZINC000120720972 1413884581 /nfs/dbraw/zinc/88/45/81/1413884581.db2.gz GLOPKWYLKCWUQY-GOSISDBHSA-N 1 1 395.525 3.261 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1Cl ZINC000120744437 1413890576 /nfs/dbraw/zinc/89/05/76/1413890576.db2.gz XJIRKWDROKNYMJ-FXAWDEMLSA-N 1 1 398.894 3.216 20 30 GGEDMO CCc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NC2CCN(C)CC2)cc1 ZINC000120917852 1413947995 /nfs/dbraw/zinc/94/79/95/1413947995.db2.gz TYGLBIAMUSWRDR-UHFFFAOYSA-O 1 1 396.580 3.468 20 30 GGEDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C ZINC000121107911 1414010485 /nfs/dbraw/zinc/01/04/85/1414010485.db2.gz IUPCTTMRMJQJBD-HDICACEKSA-N 1 1 377.488 3.406 20 30 GGEDMO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1 ZINC000121140235 1414021462 /nfs/dbraw/zinc/02/14/62/1414021462.db2.gz BSDBEEFUIDHMOF-INIZCTEOSA-N 1 1 394.483 3.082 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@H]2CCSC2)c1C#N ZINC000121145037 1414023261 /nfs/dbraw/zinc/02/32/61/1414023261.db2.gz ITKWAIBEAGHAJH-INIZCTEOSA-N 1 1 386.521 3.384 20 30 GGEDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000121148202 1414024726 /nfs/dbraw/zinc/02/47/26/1414024726.db2.gz DNCFOWSLZQSEBO-UHFFFAOYSA-N 1 1 387.487 3.455 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000121341098 1414088695 /nfs/dbraw/zinc/08/86/95/1414088695.db2.gz KJMGNYFPKVBPLW-SFHVURJKSA-N 1 1 392.507 3.084 20 30 GGEDMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121458614 1414132778 /nfs/dbraw/zinc/13/27/78/1414132778.db2.gz GPLVRRIRXSDBFQ-LLVKDONJSA-N 1 1 385.859 3.193 20 30 GGEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000121502168 1414153107 /nfs/dbraw/zinc/15/31/07/1414153107.db2.gz NCBLJVJBQOUTCG-JOCHJYFZSA-N 1 1 375.472 3.380 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCc2ccncc2)c1C#N ZINC000121534928 1414165976 /nfs/dbraw/zinc/16/59/76/1414165976.db2.gz YBWAQKUNZANLHJ-UHFFFAOYSA-N 1 1 391.475 3.126 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCc2ccncc2)c1C#N ZINC000121534928 1414165984 /nfs/dbraw/zinc/16/59/84/1414165984.db2.gz YBWAQKUNZANLHJ-UHFFFAOYSA-N 1 1 391.475 3.126 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)CC1 ZINC000121565819 1414180115 /nfs/dbraw/zinc/18/01/15/1414180115.db2.gz SXTNMKUMWGJUGE-UHFFFAOYSA-N 1 1 376.456 3.463 20 30 GGEDMO CCC[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1CCOC ZINC000121924880 1414309654 /nfs/dbraw/zinc/30/96/54/1414309654.db2.gz WSFMNKQKZNYQEI-GOSISDBHSA-N 1 1 384.442 3.369 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1ccccc1C#N ZINC000121946230 1414317718 /nfs/dbraw/zinc/31/77/18/1414317718.db2.gz AKVISTITLCIAKT-UHFFFAOYSA-N 1 1 395.484 3.262 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1ccccc1C#N ZINC000121946230 1414317727 /nfs/dbraw/zinc/31/77/27/1414317727.db2.gz AKVISTITLCIAKT-UHFFFAOYSA-N 1 1 395.484 3.262 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H](N3CCC(CCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000122115331 1414365833 /nfs/dbraw/zinc/36/58/33/1414365833.db2.gz AXJKRFMMMYXJHF-JOCHJYFZSA-N 1 1 380.536 3.252 20 30 GGEDMO N#Cc1ccccc1-c1ccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)cc1 ZINC000122157822 1414376594 /nfs/dbraw/zinc/37/65/94/1414376594.db2.gz CXNIFHHTWMIYER-SFHVURJKSA-N 1 1 378.394 3.333 20 30 GGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1Cl ZINC000177583744 1428803250 /nfs/dbraw/zinc/80/32/50/1428803250.db2.gz GZAKECMDXVJCBY-GOSISDBHSA-N 1 1 391.899 3.200 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177592386 1428805406 /nfs/dbraw/zinc/80/54/06/1428805406.db2.gz BOCRSZJDSFTCOB-DENIHFKCSA-N 1 1 399.535 3.372 20 30 GGEDMO Cc1ncc(/C=C/C(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000122326634 1414424472 /nfs/dbraw/zinc/42/44/72/1414424472.db2.gz HZDJMMSPUWHKSG-MDZDMXLPSA-N 1 1 396.512 3.282 20 30 GGEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000122357536 1414433757 /nfs/dbraw/zinc/43/37/57/1414433757.db2.gz DSYXKNHKTFDYEZ-UHFFFAOYSA-N 1 1 394.427 3.026 20 30 GGEDMO CC[C@@H](NC(=O)c1cccc(CC#N)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177608518 1428809710 /nfs/dbraw/zinc/80/97/10/1428809710.db2.gz OUIKIZUEAGEUHB-FGZHOGPDSA-N 1 1 377.488 3.162 20 30 GGEDMO CC[C@@H](NC(=O)c1cccc(CC#N)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177608518 1428809714 /nfs/dbraw/zinc/80/97/14/1428809714.db2.gz OUIKIZUEAGEUHB-FGZHOGPDSA-N 1 1 377.488 3.162 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)o2)cc1 ZINC000177614388 1428811079 /nfs/dbraw/zinc/81/10/79/1428811079.db2.gz DDIOHPPBPMILOE-LJQANCHMSA-N 1 1 382.464 3.158 20 30 GGEDMO CN(C)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122487534 1414478855 /nfs/dbraw/zinc/47/88/55/1414478855.db2.gz UCHQELBSKWYCLH-UHFFFAOYSA-N 1 1 377.492 3.364 20 30 GGEDMO N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000122493542 1414480348 /nfs/dbraw/zinc/48/03/48/1414480348.db2.gz WNAHDAPDZRJFFC-SFTDATJTSA-N 1 1 395.528 3.233 20 30 GGEDMO COCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000122526684 1414490783 /nfs/dbraw/zinc/49/07/83/1414490783.db2.gz XTPILVWKECKUIT-AWEZNQCLSA-N 1 1 379.888 3.056 20 30 GGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000122868112 1414584355 /nfs/dbraw/zinc/58/43/55/1414584355.db2.gz NJMSIPWQOMKGIO-KRWDZBQOSA-N 1 1 378.476 3.026 20 30 GGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000122868112 1414584363 /nfs/dbraw/zinc/58/43/63/1414584363.db2.gz NJMSIPWQOMKGIO-KRWDZBQOSA-N 1 1 378.476 3.026 20 30 GGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000122868337 1414585304 /nfs/dbraw/zinc/58/53/04/1414585304.db2.gz NJMSIPWQOMKGIO-QGZVFWFLSA-N 1 1 378.476 3.026 20 30 GGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000122868337 1414585309 /nfs/dbraw/zinc/58/53/09/1414585309.db2.gz NJMSIPWQOMKGIO-QGZVFWFLSA-N 1 1 378.476 3.026 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)s1 ZINC000123241523 1414676782 /nfs/dbraw/zinc/67/67/82/1414676782.db2.gz XRWATCPJRWFYQF-GOSISDBHSA-N 1 1 381.549 3.049 20 30 GGEDMO C=CCOc1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000123420867 1414725341 /nfs/dbraw/zinc/72/53/41/1414725341.db2.gz BXSSRZPFXQZYGB-UHFFFAOYSA-N 1 1 386.517 3.194 20 30 GGEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)c(F)c1 ZINC000177709090 1428839545 /nfs/dbraw/zinc/83/95/45/1428839545.db2.gz VSUUOGVNVWCEBA-GOSISDBHSA-N 1 1 384.499 3.001 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000123831613 1414831675 /nfs/dbraw/zinc/83/16/75/1414831675.db2.gz CZGQJIMWNVRCCI-IBGZPJMESA-N 1 1 389.499 3.016 20 30 GGEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC(C)(C)CN1CCOCC1 ZINC000124299773 1414932842 /nfs/dbraw/zinc/93/28/42/1414932842.db2.gz PJQFEIFSPNJPJZ-UHFFFAOYSA-N 1 1 396.535 3.028 20 30 GGEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC(C)(C)CN1CCOCC1 ZINC000124299773 1414932848 /nfs/dbraw/zinc/93/28/48/1414932848.db2.gz PJQFEIFSPNJPJZ-UHFFFAOYSA-N 1 1 396.535 3.028 20 30 GGEDMO N#Cc1cc(F)c(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c(F)c1 ZINC000124352317 1414947455 /nfs/dbraw/zinc/94/74/55/1414947455.db2.gz UVAVRHZQIIDXBZ-UHFFFAOYSA-N 1 1 397.491 3.113 20 30 GGEDMO C[C@@]1(O)CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000124451687 1414971698 /nfs/dbraw/zinc/97/16/98/1414971698.db2.gz CMIRZRSCZYRLSS-HSZRJFAPSA-N 1 1 392.503 3.013 20 30 GGEDMO C[C@@]1(O)CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000124451687 1414971701 /nfs/dbraw/zinc/97/17/01/1414971701.db2.gz CMIRZRSCZYRLSS-HSZRJFAPSA-N 1 1 392.503 3.013 20 30 GGEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000124582626 1414999142 /nfs/dbraw/zinc/99/91/42/1414999142.db2.gz KNXCLDPJJATGNN-PKTZIBPZSA-N 1 1 397.563 3.108 20 30 GGEDMO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000124873206 1415064200 /nfs/dbraw/zinc/06/42/00/1415064200.db2.gz OURBELCPEAKETI-IBGZPJMESA-N 1 1 384.476 3.301 20 30 GGEDMO N#CCSc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000125160557 1415121234 /nfs/dbraw/zinc/12/12/34/1415121234.db2.gz DYHMZUSEXPEKHG-FQEVSTJZSA-N 1 1 395.528 3.189 20 30 GGEDMO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125291513 1415154461 /nfs/dbraw/zinc/15/44/61/1415154461.db2.gz RGMGDMTVHXQMNU-HOTGVXAUSA-N 1 1 381.476 3.273 20 30 GGEDMO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125291513 1415154468 /nfs/dbraw/zinc/15/44/68/1415154468.db2.gz RGMGDMTVHXQMNU-HOTGVXAUSA-N 1 1 381.476 3.273 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125371824 1415178646 /nfs/dbraw/zinc/17/86/46/1415178646.db2.gz QPSCTFONJBYFSB-CABCVRRESA-N 1 1 397.491 3.112 20 30 GGEDMO N#CCCCOc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000125408568 1415189957 /nfs/dbraw/zinc/18/99/57/1415189957.db2.gz MMTAMTSMRWLKJW-OAQYLSRUSA-N 1 1 379.460 3.209 20 30 GGEDMO N#CCCCOc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000125408568 1415189965 /nfs/dbraw/zinc/18/99/65/1415189965.db2.gz MMTAMTSMRWLKJW-OAQYLSRUSA-N 1 1 379.460 3.209 20 30 GGEDMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125487851 1415212666 /nfs/dbraw/zinc/21/26/66/1415212666.db2.gz VVKYNRPWFMMJHT-CABCVRRESA-N 1 1 382.512 3.269 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000125642720 1415244356 /nfs/dbraw/zinc/24/43/56/1415244356.db2.gz LYBAEOZCRZTQBM-HNNXBMFYSA-N 1 1 379.489 3.304 20 30 GGEDMO C#CCCOc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000125652770 1415247151 /nfs/dbraw/zinc/24/71/51/1415247151.db2.gz CYTUAQGSWPCUAQ-UHFFFAOYSA-N 1 1 378.501 3.416 20 30 GGEDMO CN(C)CC[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000125877600 1415303222 /nfs/dbraw/zinc/30/32/22/1415303222.db2.gz LYECPJATDKKVEV-UHFFFAOYSA-N 1 1 390.531 3.234 20 30 GGEDMO CCc1noc(CC)c1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000125978827 1415328066 /nfs/dbraw/zinc/32/80/66/1415328066.db2.gz HWIBRQKXZGQJGF-UHFFFAOYSA-N 1 1 395.507 3.089 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@H]2CCCCO2)c1C#N ZINC000126072901 1415351364 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QSDLYPRDRLPWCN-UHFFFAOYSA-N 1 1 394.475 3.137 20 30 GGEDMO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126427416 1415450357 /nfs/dbraw/zinc/45/03/57/1415450357.db2.gz YUJVOVSZRLYEHI-NQIIRXRSSA-N 1 1 394.519 3.142 20 30 GGEDMO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126427899 1415450523 /nfs/dbraw/zinc/45/05/23/1415450523.db2.gz YUJVOVSZRLYEHI-RXVVDRJESA-N 1 1 394.519 3.142 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000177996880 1428922278 /nfs/dbraw/zinc/92/22/78/1428922278.db2.gz OEMPQJUIASYSHE-SFTDATJTSA-N 1 1 382.508 3.011 20 30 GGEDMO Cc1nc(SCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C#N)c(C)c1C ZINC000126645264 1415516200 /nfs/dbraw/zinc/51/62/00/1415516200.db2.gz SVGLNOZZXCSMRI-FXAWDEMLSA-N 1 1 398.576 3.446 20 30 GGEDMO COC(=O)c1cc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)oc1C ZINC000126650359 1415517008 /nfs/dbraw/zinc/51/70/08/1415517008.db2.gz LZBJQJSPEUQLDC-UHFFFAOYSA-N 1 1 389.839 3.360 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000126726223 1415540469 /nfs/dbraw/zinc/54/04/69/1415540469.db2.gz RSUHBOZAFFDUFB-AEFFLSMTSA-N 1 1 392.507 3.083 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000126726223 1415540476 /nfs/dbraw/zinc/54/04/76/1415540476.db2.gz RSUHBOZAFFDUFB-AEFFLSMTSA-N 1 1 392.507 3.083 20 30 GGEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000178041842 1428953222 /nfs/dbraw/zinc/95/32/22/1428953222.db2.gz FRJBKGOCDLPZRW-FQEVSTJZSA-N 1 1 377.488 3.469 20 30 GGEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000126953680 1415616940 /nfs/dbraw/zinc/61/69/40/1415616940.db2.gz SMPNZDBCJXYTKC-MRXNPFEDSA-N 1 1 386.517 3.296 20 30 GGEDMO Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000127006869 1415633206 /nfs/dbraw/zinc/63/32/06/1415633206.db2.gz LQQASNAMACZVPT-INIZCTEOSA-N 1 1 380.492 3.391 20 30 GGEDMO C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000127196755 1415683807 /nfs/dbraw/zinc/68/38/07/1415683807.db2.gz TVNREPUSLQIIDB-KRWDZBQOSA-N 1 1 377.488 3.279 20 30 GGEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C#N)c1C ZINC000127217278 1415689974 /nfs/dbraw/zinc/68/99/74/1415689974.db2.gz YWMUCSKOOLUSJQ-MRXNPFEDSA-N 1 1 396.491 3.064 20 30 GGEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C#N)c1C ZINC000127217278 1415689981 /nfs/dbraw/zinc/68/99/81/1415689981.db2.gz YWMUCSKOOLUSJQ-MRXNPFEDSA-N 1 1 396.491 3.064 20 30 GGEDMO C=C(C)COc1cc(C[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)ccc1OC ZINC000127279301 1415715703 /nfs/dbraw/zinc/71/57/03/1415715703.db2.gz OIDLPDPLPKUYLB-UHFFFAOYSA-N 1 1 396.535 3.087 20 30 GGEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1OCC(=O)N1CCCC1 ZINC000127293732 1415722299 /nfs/dbraw/zinc/72/22/99/1415722299.db2.gz CKTBZHZMZVAWBJ-UHFFFAOYSA-N 1 1 393.487 3.200 20 30 GGEDMO C[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)[N@@H+]1CCc2sccc2C1 ZINC000178151108 1429000686 /nfs/dbraw/zinc/00/06/86/1429000686.db2.gz IKQFVULHTOVANX-CYBMUJFWSA-N 1 1 388.468 3.358 20 30 GGEDMO C[C@H](CNC(=O)Nc1ccc(F)cc1OCC#N)[N@H+]1CCc2sccc2C1 ZINC000178151108 1429000691 /nfs/dbraw/zinc/00/06/91/1429000691.db2.gz IKQFVULHTOVANX-CYBMUJFWSA-N 1 1 388.468 3.358 20 30 GGEDMO C[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)[N@@H+]1CCc2sccc2C1 ZINC000178151095 1429000806 /nfs/dbraw/zinc/00/08/06/1429000806.db2.gz IKQFVULHTOVANX-ZDUSSCGKSA-N 1 1 388.468 3.358 20 30 GGEDMO C[C@@H](CNC(=O)Nc1ccc(F)cc1OCC#N)[N@H+]1CCc2sccc2C1 ZINC000178151095 1429000812 /nfs/dbraw/zinc/00/08/12/1429000812.db2.gz IKQFVULHTOVANX-ZDUSSCGKSA-N 1 1 388.468 3.358 20 30 GGEDMO CCOC(=O)c1sc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1C ZINC000127614621 1415820324 /nfs/dbraw/zinc/82/03/24/1415820324.db2.gz LLLSBYSUDQNAJV-UHFFFAOYSA-N 1 1 384.505 3.212 20 30 GGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)Cc3cccc(C#N)c3)cc2)C1 ZINC000127738411 1415841803 /nfs/dbraw/zinc/84/18/03/1415841803.db2.gz LIKNPECQUQAQCV-SFHVURJKSA-N 1 1 397.544 3.410 20 30 GGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000128043705 1415899944 /nfs/dbraw/zinc/89/99/44/1415899944.db2.gz XJHHKPBXFSJZMN-KRWDZBQOSA-N 1 1 394.393 3.457 20 30 GGEDMO CC[C@@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)c1ccc(C#N)cc1 ZINC000128176842 1415932031 /nfs/dbraw/zinc/93/20/31/1415932031.db2.gz VROGYODPEURIKW-QRWLVFNGSA-N 1 1 376.460 3.129 20 30 GGEDMO C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000128395486 1415977710 /nfs/dbraw/zinc/97/77/10/1415977710.db2.gz SKDDZDJLXVDLGG-XOBRGWDASA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000128395486 1415977713 /nfs/dbraw/zinc/97/77/13/1415977713.db2.gz SKDDZDJLXVDLGG-XOBRGWDASA-N 1 1 399.878 3.453 20 30 GGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000128481699 1415997271 /nfs/dbraw/zinc/99/72/71/1415997271.db2.gz XRVSZINJYFQWTM-LJQANCHMSA-N 1 1 384.524 3.053 20 30 GGEDMO N#Cc1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1N1CCC(O)CC1 ZINC000178294492 1429044458 /nfs/dbraw/zinc/04/44/58/1429044458.db2.gz OXRSRZHGHWPYJN-QGZVFWFLSA-N 1 1 396.535 3.112 20 30 GGEDMO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc1F ZINC000128830274 1416079870 /nfs/dbraw/zinc/07/98/70/1416079870.db2.gz NIXLTRNFTQAFNU-UHFFFAOYSA-N 1 1 394.494 3.442 20 30 GGEDMO NC(=[NH+]OCC(=O)NCc1cccc(COCc2ccco2)c1)C1CCCC1 ZINC000178302619 1429047004 /nfs/dbraw/zinc/04/70/04/1429047004.db2.gz SAMYLTIWPQRXMB-UHFFFAOYSA-N 1 1 385.464 3.092 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000128996185 1416122013 /nfs/dbraw/zinc/12/20/13/1416122013.db2.gz SWDRUVSNRDVCNU-QGZVFWFLSA-N 1 1 381.451 3.465 20 30 GGEDMO C=C(C)COc1cc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)ccc1OC ZINC000128998973 1416122908 /nfs/dbraw/zinc/12/29/08/1416122908.db2.gz LFTVZOHBDWHRPJ-KRWDZBQOSA-N 1 1 398.467 3.305 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000129046579 1416133190 /nfs/dbraw/zinc/13/31/90/1416133190.db2.gz XWEKRQCGOYTWJO-FTSJTYPLSA-N 1 1 382.508 3.173 20 30 GGEDMO C[C@@H](c1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1)[NH+]1CCOCC1 ZINC000129079807 1416140269 /nfs/dbraw/zinc/14/02/69/1416140269.db2.gz BNQCFIBZCWKUQC-SFHVURJKSA-N 1 1 393.491 3.423 20 30 GGEDMO C[C@H](c1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1)[NH+]1CCOCC1 ZINC000129080008 1416140278 /nfs/dbraw/zinc/14/02/78/1416140278.db2.gz BNQCFIBZCWKUQC-GOSISDBHSA-N 1 1 393.491 3.423 20 30 GGEDMO CC(C)[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc(-c2nc[nH]n2)no1 ZINC000129122739 1416150351 /nfs/dbraw/zinc/15/03/51/1416150351.db2.gz BPZMUOQDHSCTOD-MRXNPFEDSA-N 1 1 381.440 3.024 20 30 GGEDMO Cc1[nH+]ccn1CCCCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000129911802 1416283799 /nfs/dbraw/zinc/28/37/99/1416283799.db2.gz QRQFQQVYBCGKFP-UHFFFAOYSA-N 1 1 378.432 3.445 20 30 GGEDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000129940884 1416288650 /nfs/dbraw/zinc/28/86/50/1416288650.db2.gz INSGVCIZOCZJTJ-UHFFFAOYSA-N 1 1 378.432 3.445 20 30 GGEDMO COc1cc(CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000178470153 1429084847 /nfs/dbraw/zinc/08/48/47/1429084847.db2.gz ZVCBVXMGHCZUBX-KRWDZBQOSA-N 1 1 395.503 3.463 20 30 GGEDMO CCOC(=O)CC1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000130266166 1416349024 /nfs/dbraw/zinc/34/90/24/1416349024.db2.gz CXNDQVYSACBPME-UHFFFAOYSA-N 1 1 385.508 3.215 20 30 GGEDMO CCOC(=O)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000130342221 1416361387 /nfs/dbraw/zinc/36/13/87/1416361387.db2.gz LDQCLIMZYXOQPV-CYBMUJFWSA-N 1 1 377.872 3.204 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccc(C)c1C#N ZINC000130380600 1416367958 /nfs/dbraw/zinc/36/79/58/1416367958.db2.gz YJJSFBDXTZTLHT-ICSRJNTNSA-N 1 1 381.501 3.172 20 30 GGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccc(C)c1C#N ZINC000130380849 1416367993 /nfs/dbraw/zinc/36/79/93/1416367993.db2.gz YJJSFBDXTZTLHT-QUCCMNQESA-N 1 1 381.501 3.172 20 30 GGEDMO COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000178508508 1429093507 /nfs/dbraw/zinc/09/35/07/1429093507.db2.gz VZKWFYQDRBFBRP-UHFFFAOYSA-N 1 1 382.439 3.492 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000178527398 1429097189 /nfs/dbraw/zinc/09/71/89/1429097189.db2.gz VJCVPKZAGOMSOR-KRWDZBQOSA-N 1 1 396.535 3.308 20 30 GGEDMO CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000130620125 1416411789 /nfs/dbraw/zinc/41/17/89/1416411789.db2.gz PKQNLCPREIVOQZ-NHCUHLMSSA-N 1 1 392.503 3.245 20 30 GGEDMO CCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000130755121 1416443046 /nfs/dbraw/zinc/44/30/46/1416443046.db2.gz QRYPPRPYCWEOCB-KRWDZBQOSA-N 1 1 395.503 3.444 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CCOCC2CC2)c1C#N ZINC000130791858 1416452385 /nfs/dbraw/zinc/45/23/85/1416452385.db2.gz ZGNJBTYCIDFQMN-UHFFFAOYSA-N 1 1 394.519 3.322 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CCOCC2CC2)c1C#N ZINC000130791858 1416452388 /nfs/dbraw/zinc/45/23/88/1416452388.db2.gz ZGNJBTYCIDFQMN-UHFFFAOYSA-N 1 1 394.519 3.322 20 30 GGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000131082327 1416506051 /nfs/dbraw/zinc/50/60/51/1416506051.db2.gz KRSSZUOZYOOULB-HXUWFJFHSA-N 1 1 398.551 3.479 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000131124350 1416512504 /nfs/dbraw/zinc/51/25/04/1416512504.db2.gz LLVDPNBPYMOORY-RXVVDRJESA-N 1 1 385.533 3.338 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000131124350 1416512506 /nfs/dbraw/zinc/51/25/06/1416512506.db2.gz LLVDPNBPYMOORY-RXVVDRJESA-N 1 1 385.533 3.338 20 30 GGEDMO C=CCOc1cccc(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000131304942 1416537437 /nfs/dbraw/zinc/53/74/37/1416537437.db2.gz ODOFYPSVYBXXIK-UXHICEINSA-N 1 1 381.476 3.008 20 30 GGEDMO Cn1ccnc1C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000131306106 1416537654 /nfs/dbraw/zinc/53/76/54/1416537654.db2.gz AZNSNGAYGAWRSX-QGZVFWFLSA-N 1 1 399.926 3.275 20 30 GGEDMO CCOC(=O)CC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000178559285 1429106942 /nfs/dbraw/zinc/10/69/42/1429106942.db2.gz PGVQQYZTWCZKND-UHFFFAOYSA-N 1 1 388.512 3.305 20 30 GGEDMO CCOC(=O)CC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000178559285 1429106946 /nfs/dbraw/zinc/10/69/46/1429106946.db2.gz PGVQQYZTWCZKND-UHFFFAOYSA-N 1 1 388.512 3.305 20 30 GGEDMO N#Cc1ccc(Oc2cccc(C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)c2)cc1 ZINC000131660565 1416592005 /nfs/dbraw/zinc/59/20/05/1416592005.db2.gz AENSCEDQHVKEQD-FQEVSTJZSA-N 1 1 393.487 3.317 20 30 GGEDMO N#Cc1ccc(Oc2cccc(C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)c2)cc1 ZINC000131660354 1416592352 /nfs/dbraw/zinc/59/23/52/1416592352.db2.gz AENSCEDQHVKEQD-HXUWFJFHSA-N 1 1 393.487 3.317 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131757119 1416613437 /nfs/dbraw/zinc/61/34/37/1416613437.db2.gz KEZKPUUXBLYOLD-HXUWFJFHSA-N 1 1 399.535 3.068 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000131757306 1416613627 /nfs/dbraw/zinc/61/36/27/1416613627.db2.gz KEZKPUUXBLYOLD-FQEVSTJZSA-N 1 1 399.535 3.068 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1C ZINC000131834966 1416631932 /nfs/dbraw/zinc/63/19/32/1416631932.db2.gz LZRIJGWVCRDHTH-FQEVSTJZSA-N 1 1 399.535 3.068 20 30 GGEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000131874970 1416639388 /nfs/dbraw/zinc/63/93/88/1416639388.db2.gz PVPUQFGMNZYFCJ-SFTDATJTSA-N 1 1 379.504 3.223 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](Oc3ccncc3)C2)ccc1Cl ZINC000131886953 1416641675 /nfs/dbraw/zinc/64/16/75/1416641675.db2.gz HXUCJYSQEWFGEN-IBGZPJMESA-N 1 1 398.894 3.443 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](Oc3ccncc3)C2)ccc1Cl ZINC000131886953 1416641683 /nfs/dbraw/zinc/64/16/83/1416641683.db2.gz HXUCJYSQEWFGEN-IBGZPJMESA-N 1 1 398.894 3.443 20 30 GGEDMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178590831 1429115844 /nfs/dbraw/zinc/11/58/44/1429115844.db2.gz HNDYUEOVLFUXAW-IRXDYDNUSA-N 1 1 384.524 3.230 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178590831 1429115849 /nfs/dbraw/zinc/11/58/49/1429115849.db2.gz HNDYUEOVLFUXAW-IRXDYDNUSA-N 1 1 384.524 3.230 20 30 GGEDMO CC(C)[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000178593176 1429115977 /nfs/dbraw/zinc/11/59/77/1429115977.db2.gz SXBJGRBXFQIGLE-QGZVFWFLSA-N 1 1 384.524 3.229 20 30 GGEDMO N#Cc1ccc(OCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000132023825 1416676361 /nfs/dbraw/zinc/67/63/61/1416676361.db2.gz HRVQHSQWTTWWKL-GGAORHGYSA-N 1 1 389.499 3.450 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000132221001 1416719251 /nfs/dbraw/zinc/71/92/51/1416719251.db2.gz FJUSHYLUAZPLRV-IERDGZPVSA-N 1 1 375.488 3.250 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000132282046 1416728527 /nfs/dbraw/zinc/72/85/27/1416728527.db2.gz BIIHBLUFJLHRLQ-SJORKVTESA-N 1 1 388.537 3.267 20 30 GGEDMO C[C@@H](CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000132333442 1416739011 /nfs/dbraw/zinc/73/90/11/1416739011.db2.gz UCKUWZUZPSRQKF-IBGZPJMESA-N 1 1 397.544 3.199 20 30 GGEDMO C[C@@H](CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000132333442 1416739015 /nfs/dbraw/zinc/73/90/15/1416739015.db2.gz UCKUWZUZPSRQKF-IBGZPJMESA-N 1 1 397.544 3.199 20 30 GGEDMO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000132429894 1416758972 /nfs/dbraw/zinc/75/89/72/1416758972.db2.gz OCMXJLUOMJORBP-GOEBONIOSA-N 1 1 383.448 3.257 20 30 GGEDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000132429894 1416758978 /nfs/dbraw/zinc/75/89/78/1416758978.db2.gz OCMXJLUOMJORBP-GOEBONIOSA-N 1 1 383.448 3.257 20 30 GGEDMO CCC[C@@H]1C[N@@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 ZINC000132598430 1416790990 /nfs/dbraw/zinc/79/09/90/1416790990.db2.gz PDIUZIOEGLLWKD-GOSISDBHSA-N 1 1 398.507 3.447 20 30 GGEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N(CCC#N)CC2CC2)c1 ZINC000132610579 1416793319 /nfs/dbraw/zinc/79/33/19/1416793319.db2.gz SNZACYRFYQCFDC-UHFFFAOYSA-N 1 1 393.491 3.146 20 30 GGEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000132825252 1416819790 /nfs/dbraw/zinc/81/97/90/1416819790.db2.gz XIZDJBFWSJOUKB-LJQANCHMSA-N 1 1 387.430 3.276 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000133114336 1416853344 /nfs/dbraw/zinc/85/33/44/1416853344.db2.gz GAONXFPDCKGPLH-UHFFFAOYSA-N 1 1 395.551 3.373 20 30 GGEDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)c(C#N)c3)C2)cc(OC)c1 ZINC000133279198 1416873772 /nfs/dbraw/zinc/87/37/72/1416873772.db2.gz SWYAUQDPTHZVLH-KRWDZBQOSA-N 1 1 398.438 3.111 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)c(C#N)c3)C2)cc(OC)c1 ZINC000133279198 1416873777 /nfs/dbraw/zinc/87/37/77/1416873777.db2.gz SWYAUQDPTHZVLH-KRWDZBQOSA-N 1 1 398.438 3.111 20 30 GGEDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000133437300 1416889636 /nfs/dbraw/zinc/88/96/36/1416889636.db2.gz QSDRZKJWOGPLQC-KRWDZBQOSA-N 1 1 390.553 3.357 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CC1 ZINC000178701138 1429145727 /nfs/dbraw/zinc/14/57/27/1429145727.db2.gz CXHFAEWAMPYFIB-QGZVFWFLSA-N 1 1 384.524 3.088 20 30 GGEDMO N#Cc1ccc(Nc2cccc(C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)c2)cc1 ZINC000133820051 1416970230 /nfs/dbraw/zinc/97/02/30/1416970230.db2.gz FCDADOMAEUONTR-JOCHJYFZSA-N 1 1 392.503 3.269 20 30 GGEDMO Cc1cccc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000133912737 1416993678 /nfs/dbraw/zinc/99/36/78/1416993678.db2.gz VZVJZLQTMWYQFK-LJQANCHMSA-N 1 1 383.517 3.009 20 30 GGEDMO C[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C[NH+]1CCOCC1 ZINC000133913144 1416993794 /nfs/dbraw/zinc/99/37/94/1416993794.db2.gz KWATVEWKHMFXOA-MRXNPFEDSA-N 1 1 397.450 3.188 20 30 GGEDMO C=CCc1cc(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc(OC)c1OC ZINC000133925462 1416996378 /nfs/dbraw/zinc/99/63/78/1416996378.db2.gz JMHFQOJFKSGNFV-QGZVFWFLSA-N 1 1 389.540 3.209 20 30 GGEDMO C=CCc1cc(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc(OC)c1OC ZINC000133925662 1416996394 /nfs/dbraw/zinc/99/63/94/1416996394.db2.gz JMHFQOJFKSGNFV-KRWDZBQOSA-N 1 1 389.540 3.209 20 30 GGEDMO C[N@@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H](c2ccccc2)C1 ZINC000134002077 1417008662 /nfs/dbraw/zinc/00/86/62/1417008662.db2.gz JZPOTVZKGYMIEJ-OAQYLSRUSA-N 1 1 390.487 3.182 20 30 GGEDMO C[N@H+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H](c2ccccc2)C1 ZINC000134002077 1417008666 /nfs/dbraw/zinc/00/86/66/1417008666.db2.gz JZPOTVZKGYMIEJ-OAQYLSRUSA-N 1 1 390.487 3.182 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000134122518 1417025192 /nfs/dbraw/zinc/02/51/92/1417025192.db2.gz IXOFCOSDCZESIB-DOTOQJQBSA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000134122518 1417025198 /nfs/dbraw/zinc/02/51/98/1417025198.db2.gz IXOFCOSDCZESIB-DOTOQJQBSA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000134123097 1417025622 /nfs/dbraw/zinc/02/56/22/1417025622.db2.gz IXOFCOSDCZESIB-WBVHZDCISA-N 1 1 386.496 3.122 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000134123097 1417025626 /nfs/dbraw/zinc/02/56/26/1417025626.db2.gz IXOFCOSDCZESIB-WBVHZDCISA-N 1 1 386.496 3.122 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cc(F)c(F)cc3F)CC2)cc1 ZINC000134239318 1417042814 /nfs/dbraw/zinc/04/28/14/1417042814.db2.gz PKJNWPAFGZKVRG-UHFFFAOYSA-N 1 1 387.405 3.253 20 30 GGEDMO N#Cc1ccc(NCC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000134265297 1417046906 /nfs/dbraw/zinc/04/69/06/1417046906.db2.gz NVPYGRBNCMXVST-LJQANCHMSA-N 1 1 398.894 3.110 20 30 GGEDMO N#Cc1ccc(NCC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1 ZINC000134265318 1417047227 /nfs/dbraw/zinc/04/72/27/1417047227.db2.gz NVPYGRBNCMXVST-IBGZPJMESA-N 1 1 398.894 3.110 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000134332128 1417056795 /nfs/dbraw/zinc/05/67/95/1417056795.db2.gz QRHGGBMKXYVDMQ-UHFFFAOYSA-N 1 1 398.528 3.139 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000134332128 1417056800 /nfs/dbraw/zinc/05/68/00/1417056800.db2.gz QRHGGBMKXYVDMQ-UHFFFAOYSA-N 1 1 398.528 3.139 20 30 GGEDMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000134362201 1417061171 /nfs/dbraw/zinc/06/11/71/1417061171.db2.gz SMTIHBSGMXVAEA-FQEVSTJZSA-N 1 1 383.517 3.127 20 30 GGEDMO CC[C@H](CNC(=O)Cc1cccc(OCC#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000134520233 1417080935 /nfs/dbraw/zinc/08/09/35/1417080935.db2.gz ZYUYQSFHSBILLO-OAQYLSRUSA-N 1 1 377.488 3.085 20 30 GGEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(S(C)(=O)=O)cc(C)c1C)C(C)C ZINC000134607507 1417095709 /nfs/dbraw/zinc/09/57/09/1417095709.db2.gz PRCRYSFSGZRTRL-FQEVSTJZSA-N 1 1 392.565 3.135 20 30 GGEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(S(C)(=O)=O)cc(C)c1C)C(C)C ZINC000134607530 1417096023 /nfs/dbraw/zinc/09/60/23/1417096023.db2.gz PRCRYSFSGZRTRL-HXUWFJFHSA-N 1 1 392.565 3.135 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000134622165 1417098800 /nfs/dbraw/zinc/09/88/00/1417098800.db2.gz DDUKORQGEIITTA-NVXWUHKLSA-N 1 1 386.496 3.264 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000134622182 1417098975 /nfs/dbraw/zinc/09/89/75/1417098975.db2.gz DDUKORQGEIITTA-DOTOQJQBSA-N 1 1 386.496 3.264 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc2c(c1)OCCO2)[N@@H+]1CCc2ccccc2C1 ZINC000134800371 1417128170 /nfs/dbraw/zinc/12/81/70/1417128170.db2.gz KPVSXIKQOPBXSI-QGZVFWFLSA-N 1 1 391.471 3.151 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc2c(c1)OCCO2)[N@H+]1CCc2ccccc2C1 ZINC000134800371 1417128176 /nfs/dbraw/zinc/12/81/76/1417128176.db2.gz KPVSXIKQOPBXSI-QGZVFWFLSA-N 1 1 391.471 3.151 20 30 GGEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c(C#N)c1C ZINC000134804625 1417128948 /nfs/dbraw/zinc/12/89/48/1417128948.db2.gz DDURWRPWMIBCIP-HKUYNNGSSA-N 1 1 385.439 3.434 20 30 GGEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c(C#N)c1C ZINC000134804625 1417128951 /nfs/dbraw/zinc/12/89/51/1417128951.db2.gz DDURWRPWMIBCIP-HKUYNNGSSA-N 1 1 385.439 3.434 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000134904353 1417142313 /nfs/dbraw/zinc/14/23/13/1417142313.db2.gz MQHNYNMWDBENHD-OFNKIYASSA-N 1 1 394.563 3.499 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134908552 1417143140 /nfs/dbraw/zinc/14/31/40/1417143140.db2.gz CLBXAMXCSOHJSZ-OFNKIYASSA-N 1 1 394.563 3.499 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134929869 1417147295 /nfs/dbraw/zinc/14/72/95/1417147295.db2.gz BAEIUCJEVWWBAG-UWJYYQICSA-N 1 1 393.535 3.125 20 30 GGEDMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000135073441 1417170199 /nfs/dbraw/zinc/17/01/99/1417170199.db2.gz YBGINVCTQNOHOF-QGZVFWFLSA-N 1 1 394.393 3.457 20 30 GGEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@H]2CCOC2)c1C#N ZINC000178769176 1429165061 /nfs/dbraw/zinc/16/50/61/1429165061.db2.gz RIJTXIUWGJCYOK-GOSISDBHSA-N 1 1 398.482 3.071 20 30 GGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135233935 1417193390 /nfs/dbraw/zinc/19/33/90/1417193390.db2.gz XWLVVJJHUOJEBV-LJQANCHMSA-N 1 1 381.432 3.065 20 30 GGEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135233935 1417193395 /nfs/dbraw/zinc/19/33/95/1417193395.db2.gz XWLVVJJHUOJEBV-LJQANCHMSA-N 1 1 381.432 3.065 20 30 GGEDMO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135256395 1417198084 /nfs/dbraw/zinc/19/80/84/1417198084.db2.gz SYUIYUABXLFDSX-KRWDZBQOSA-N 1 1 397.523 3.286 20 30 GGEDMO C[N@@H+](CCC1CC1)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000135312078 1417206400 /nfs/dbraw/zinc/20/64/00/1417206400.db2.gz BQGMBXKVTOOIBG-KRWDZBQOSA-N 1 1 384.524 3.088 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCOC2)c1C#N ZINC000178787309 1429169677 /nfs/dbraw/zinc/16/96/77/1429169677.db2.gz XZZNCIHXKDVRPS-INIZCTEOSA-N 1 1 384.455 3.012 20 30 GGEDMO CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000136538942 1417324467 /nfs/dbraw/zinc/32/44/67/1417324467.db2.gz AMVUNMANNATQEV-UHFFFAOYSA-N 1 1 396.466 3.247 20 30 GGEDMO Cc1nc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000178812828 1429177930 /nfs/dbraw/zinc/17/79/30/1429177930.db2.gz QUKKAVTUPQDXBR-IBGZPJMESA-N 1 1 386.459 3.158 20 30 GGEDMO C[N@H+](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@@H]1CCSC1 ZINC000137075730 1417366696 /nfs/dbraw/zinc/36/66/96/1417366696.db2.gz UUWJRNNOUDFPJW-LJQANCHMSA-N 1 1 394.500 3.186 20 30 GGEDMO C[N@@H+](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[C@@H]1CCSC1 ZINC000137075730 1417366703 /nfs/dbraw/zinc/36/67/03/1417366703.db2.gz UUWJRNNOUDFPJW-LJQANCHMSA-N 1 1 394.500 3.186 20 30 GGEDMO C=CCc1cc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(OC)c1OC ZINC000138080872 1417404122 /nfs/dbraw/zinc/40/41/22/1417404122.db2.gz LTWTXNQWUPVUHM-MOPGFXCFSA-N 1 1 387.524 3.058 20 30 GGEDMO C=CCc1cc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc(OC)c1OC ZINC000138080778 1417404469 /nfs/dbraw/zinc/40/44/69/1417404469.db2.gz LTWTXNQWUPVUHM-OALUTQOASA-N 1 1 387.524 3.058 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)C1Cc2ccccc2C1 ZINC000138434950 1417414986 /nfs/dbraw/zinc/41/49/86/1417414986.db2.gz KUNCZJRCBKMEAR-UHFFFAOYSA-N 1 1 394.519 3.051 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1C#N ZINC000139194717 1417451595 /nfs/dbraw/zinc/45/15/95/1417451595.db2.gz JXAALMKYOUOUJX-IRXDYDNUSA-N 1 1 384.480 3.056 20 30 GGEDMO N#Cc1ccnc(N2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)c1 ZINC000139208306 1417452214 /nfs/dbraw/zinc/45/22/14/1417452214.db2.gz LFIMLVIGNOVQCK-UHFFFAOYSA-N 1 1 385.471 3.249 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000139574755 1417464034 /nfs/dbraw/zinc/46/40/34/1417464034.db2.gz SALHKBYPLQKJMJ-ROUUACIJSA-N 1 1 382.508 3.068 20 30 GGEDMO Cc1noc(Cl)c1CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000139613917 1417466704 /nfs/dbraw/zinc/46/67/04/1417466704.db2.gz WGVJMGAXEFICRT-UHFFFAOYSA-N 1 1 386.883 3.175 20 30 GGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C#N ZINC000140053990 1417486706 /nfs/dbraw/zinc/48/67/06/1417486706.db2.gz RSYDGFGYZDVPHT-NQIIRXRSSA-N 1 1 397.567 3.446 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000140109432 1417488177 /nfs/dbraw/zinc/48/81/77/1417488177.db2.gz HGWFTVKHPVIZOG-QGZVFWFLSA-N 1 1 399.516 3.036 20 30 GGEDMO CC1(C)NC(=O)N(CC[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1=O ZINC000140214585 1417492576 /nfs/dbraw/zinc/49/25/76/1417492576.db2.gz ZQWFJSJESDFAFG-UHFFFAOYSA-N 1 1 394.450 3.030 20 30 GGEDMO CC1(C)NC(=O)N(CC[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1=O ZINC000140214585 1417492580 /nfs/dbraw/zinc/49/25/80/1417492580.db2.gz ZQWFJSJESDFAFG-UHFFFAOYSA-N 1 1 394.450 3.030 20 30 GGEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000140572160 1417508637 /nfs/dbraw/zinc/50/86/37/1417508637.db2.gz QBUJQJBQABPQKZ-LJQANCHMSA-N 1 1 393.491 3.103 20 30 GGEDMO N#Cc1ccc(OCC[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000141682357 1417549841 /nfs/dbraw/zinc/54/98/41/1417549841.db2.gz WVNGCGIILCESFA-UHFFFAOYSA-N 1 1 383.879 3.439 20 30 GGEDMO C=CCc1cc(OC)cc(C[NH+]2CCN(C(=O)c3ccc(OC)cc3)CC2)c1O ZINC000178850903 1429195439 /nfs/dbraw/zinc/19/54/39/1429195439.db2.gz CGQZPDIZSRNBTB-UHFFFAOYSA-N 1 1 396.487 3.096 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000149921195 1417781858 /nfs/dbraw/zinc/78/18/58/1417781858.db2.gz CKETUUQQTCUILC-LJQANCHMSA-N 1 1 379.508 3.295 20 30 GGEDMO N#Cc1ccnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1[N+](=O)[O-] ZINC000150811204 1417811590 /nfs/dbraw/zinc/81/15/90/1417811590.db2.gz DJKKEEAGWWVOEO-OAHLLOKOSA-N 1 1 387.827 3.297 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000151043873 1417861370 /nfs/dbraw/zinc/86/13/70/1417861370.db2.gz HDACRTBUJSRUGJ-HDICACEKSA-N 1 1 384.524 3.151 20 30 GGEDMO C[C@H]1C[N@H+](C2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)CCO1 ZINC000178920990 1429220606 /nfs/dbraw/zinc/22/06/06/1429220606.db2.gz MSTLKODLEUFNQR-INIZCTEOSA-N 1 1 382.426 3.122 20 30 GGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151274069 1417910853 /nfs/dbraw/zinc/91/08/53/1417910853.db2.gz KNZHKEIJNFFVSL-FGTMMUONSA-N 1 1 384.524 3.150 20 30 GGEDMO CC[C@H](NC(=O)CCc1ccc(C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151371786 1417939996 /nfs/dbraw/zinc/93/99/96/1417939996.db2.gz VDTMAFVPCHTOHB-XZOQPEGZSA-N 1 1 391.515 3.287 20 30 GGEDMO CC[C@H](NC(=O)CCc1ccc(C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151371786 1417940004 /nfs/dbraw/zinc/94/00/04/1417940004.db2.gz VDTMAFVPCHTOHB-XZOQPEGZSA-N 1 1 391.515 3.287 20 30 GGEDMO Cc1cc(N2CCC(NC(=O)N[C@H](CCC#N)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000151447281 1417974417 /nfs/dbraw/zinc/97/44/17/1417974417.db2.gz SUHBHEWBJRZOQU-HXUWFJFHSA-N 1 1 392.507 3.407 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cn1ccc(=S)c2ccccc21 ZINC000151469462 1417987029 /nfs/dbraw/zinc/98/70/29/1417987029.db2.gz CPHGGDFPTMMINF-HNNXBMFYSA-N 1 1 376.489 3.201 20 30 GGEDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(CC#N)cc1 ZINC000151710096 1418068787 /nfs/dbraw/zinc/06/87/87/1418068787.db2.gz GNMXNIXAOBTXBU-UHFFFAOYSA-N 1 1 377.492 3.039 20 30 GGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)cc1C#N ZINC000151740351 1418075495 /nfs/dbraw/zinc/07/54/95/1418075495.db2.gz VYGNVDIOWMYCBG-MJGOQNOKSA-N 1 1 385.464 3.002 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1(O)CCCC1 ZINC000152287851 1418195611 /nfs/dbraw/zinc/19/56/11/1418195611.db2.gz SUWUWRDRRFIYEH-UHFFFAOYSA-N 1 1 375.538 3.454 20 30 GGEDMO COCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000179353629 1429340438 /nfs/dbraw/zinc/34/04/38/1429340438.db2.gz KNTWLSCTZNSQPG-FPOVZHCZSA-N 1 1 387.524 3.066 20 30 GGEDMO COCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000179353629 1429340442 /nfs/dbraw/zinc/34/04/42/1429340442.db2.gz KNTWLSCTZNSQPG-FPOVZHCZSA-N 1 1 387.524 3.066 20 30 GGEDMO COCCO[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000179347031 1429338563 /nfs/dbraw/zinc/33/85/63/1429338563.db2.gz SOSFLSNJHGHSST-GOSISDBHSA-N 1 1 393.915 3.023 20 30 GGEDMO COCCO[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000179347031 1429338565 /nfs/dbraw/zinc/33/85/65/1429338565.db2.gz SOSFLSNJHGHSST-GOSISDBHSA-N 1 1 393.915 3.023 20 30 GGEDMO C#CCOCCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000179373572 1429349003 /nfs/dbraw/zinc/34/90/03/1429349003.db2.gz JPNGCNRUZLILQZ-UHFFFAOYSA-N 1 1 382.426 3.168 20 30 GGEDMO CC(C)[N@@H+](CCC(=O)N(C)CCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000179384585 1429352847 /nfs/dbraw/zinc/35/28/47/1429352847.db2.gz UITFPRFZEADVNB-UHFFFAOYSA-N 1 1 389.887 3.363 20 30 GGEDMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)c1 ZINC000179398051 1429359227 /nfs/dbraw/zinc/35/92/27/1429359227.db2.gz LTAVPRNVEMAQHO-GOSISDBHSA-N 1 1 393.487 3.045 20 30 GGEDMO Cc1nc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000179473687 1429387051 /nfs/dbraw/zinc/38/70/51/1429387051.db2.gz ZCMWZNDQHTYNBY-HNAYVOBHSA-N 1 1 386.858 3.477 20 30 GGEDMO Cc1nc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000179473687 1429387058 /nfs/dbraw/zinc/38/70/58/1429387058.db2.gz ZCMWZNDQHTYNBY-HNAYVOBHSA-N 1 1 386.858 3.477 20 30 GGEDMO C[NH+]1CCN([C@H](C(=O)N[C@@H](C#N)c2ccccc2Cl)c2ccccc2)CC1 ZINC000179544821 1429421696 /nfs/dbraw/zinc/42/16/96/1429421696.db2.gz CWMNBYSZRPGGQQ-PMACEKPBSA-N 1 1 382.895 3.010 20 30 GGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000179557527 1429430469 /nfs/dbraw/zinc/43/04/69/1429430469.db2.gz VHSIBJLDRRBLMG-LJQANCHMSA-N 1 1 396.878 3.103 20 30 GGEDMO CCC[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000179638403 1429483957 /nfs/dbraw/zinc/48/39/57/1429483957.db2.gz YBOYQCZVBNDPOJ-IBGZPJMESA-N 1 1 380.496 3.315 20 30 GGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179695234 1429511005 /nfs/dbraw/zinc/51/10/05/1429511005.db2.gz IFNFPFJUFJUHED-UHFFFAOYSA-N 1 1 375.407 3.100 20 30 GGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000179716637 1429519918 /nfs/dbraw/zinc/51/99/18/1429519918.db2.gz SQCSQAHTFADWSF-GOSISDBHSA-N 1 1 392.503 3.304 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000152327167 1422073643 /nfs/dbraw/zinc/07/36/43/1422073643.db2.gz NITXADFNXHKIFE-MBSDFSHPSA-N 1 1 390.531 3.452 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+](CCO)Cc1cccnc1)CCCCC2 ZINC000152333817 1422075146 /nfs/dbraw/zinc/07/51/46/1422075146.db2.gz QKGTVQPSKNRCAV-UHFFFAOYSA-N 1 1 398.532 3.107 20 30 GGEDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000179753177 1429539615 /nfs/dbraw/zinc/53/96/15/1429539615.db2.gz XSSUIWVNJUPYDX-UHFFFAOYSA-N 1 1 377.488 3.144 20 30 GGEDMO COc1ccccc1COC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000179750533 1429537625 /nfs/dbraw/zinc/53/76/25/1429537625.db2.gz OATPOFTWDGZAOX-UHFFFAOYSA-N 1 1 385.508 3.019 20 30 GGEDMO N#CCCn1cc(C[NH2+]Cc2cn(-c3ccccc3)nn2)c(-c2ccccc2)n1 ZINC000152706593 1422217349 /nfs/dbraw/zinc/21/73/49/1422217349.db2.gz QUZBEXBHUSIOGV-UHFFFAOYSA-N 1 1 383.459 3.334 20 30 GGEDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(=O)/C=C1/N(C)c3ccccc3C1(C)C)CC2 ZINC000152757755 1422238118 /nfs/dbraw/zinc/23/81/18/1422238118.db2.gz SUTWDJLUBQEEKS-CQZKBQLOSA-N 1 1 398.547 3.119 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000152757820 1422238232 /nfs/dbraw/zinc/23/82/32/1422238232.db2.gz WUKYFEYIPIHGGT-QGZVFWFLSA-N 1 1 375.538 3.223 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000152793735 1422250557 /nfs/dbraw/zinc/25/05/57/1422250557.db2.gz IBFLODODHWFGRZ-SFHVURJKSA-N 1 1 389.565 3.365 20 30 GGEDMO C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C[NH+]1CCOCC1 ZINC000152802319 1422253787 /nfs/dbraw/zinc/25/37/87/1422253787.db2.gz NZWIORMZCIUHDO-KRWDZBQOSA-N 1 1 394.475 3.440 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1C#N ZINC000152909916 1422292545 /nfs/dbraw/zinc/29/25/45/1422292545.db2.gz AORZUGPEZNEQCS-KUHUBIRLSA-N 1 1 398.482 3.279 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000152909775 1422292756 /nfs/dbraw/zinc/29/27/56/1422292756.db2.gz AORZUGPEZNEQCS-AUUYWEPGSA-N 1 1 398.482 3.279 20 30 GGEDMO Cn1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(-c2ccccc2)n1 ZINC000179762502 1429546752 /nfs/dbraw/zinc/54/67/52/1429546752.db2.gz XKZGZPVTNFDOFW-UHFFFAOYSA-N 1 1 375.451 3.420 20 30 GGEDMO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)ccc1O ZINC000152967634 1422310799 /nfs/dbraw/zinc/31/07/99/1422310799.db2.gz AKNLRFJONLNNCE-UHFFFAOYSA-N 1 1 381.476 3.396 20 30 GGEDMO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)ccc1O ZINC000152967634 1422310808 /nfs/dbraw/zinc/31/08/08/1422310808.db2.gz AKNLRFJONLNNCE-UHFFFAOYSA-N 1 1 381.476 3.396 20 30 GGEDMO N#Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC000153079934 1422349280 /nfs/dbraw/zinc/34/92/80/1422349280.db2.gz QZLDEQGNDWIMCL-LJQANCHMSA-N 1 1 383.879 3.098 20 30 GGEDMO CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000153162792 1422377300 /nfs/dbraw/zinc/37/73/00/1422377300.db2.gz SXMYGYHDTNNDBN-QFIPXVFZSA-N 1 1 376.504 3.209 20 30 GGEDMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)CCCc2[nH]nc(N)c2C#N)c(C)c1 ZINC000153224525 1422400272 /nfs/dbraw/zinc/40/02/72/1422400272.db2.gz JUZXVZNQSOULNZ-UHFFFAOYSA-N 1 1 382.512 3.072 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000153224633 1422400836 /nfs/dbraw/zinc/40/08/36/1422400836.db2.gz GWQQBECLSFHYDO-UHFFFAOYSA-N 1 1 385.475 3.243 20 30 GGEDMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153274184 1422432244 /nfs/dbraw/zinc/43/22/44/1422432244.db2.gz WBXMVAAJHJFUTI-HNNXBMFYSA-N 1 1 382.512 3.187 20 30 GGEDMO COc1ccc(C[C@@H](C)C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000153282067 1422437570 /nfs/dbraw/zinc/43/75/70/1422437570.db2.gz SRIZNWKVWDJTQA-QGZVFWFLSA-N 1 1 386.517 3.151 20 30 GGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000153282067 1422437572 /nfs/dbraw/zinc/43/75/72/1422437572.db2.gz SRIZNWKVWDJTQA-QGZVFWFLSA-N 1 1 386.517 3.151 20 30 GGEDMO COc1cccc(-c2nc(C[N@@H+](C)CCCc3[nH]nc(N)c3C#N)cs2)c1 ZINC000153287111 1422442835 /nfs/dbraw/zinc/44/28/35/1422442835.db2.gz MYNZRNFVGLTWOA-UHFFFAOYSA-N 1 1 382.493 3.060 20 30 GGEDMO N#CCC[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000153346755 1422482741 /nfs/dbraw/zinc/48/27/41/1422482741.db2.gz GBIOOCZHZRXGIX-VXKWHMMOSA-N 1 1 377.488 3.439 20 30 GGEDMO N#CCC[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000153346755 1422482746 /nfs/dbraw/zinc/48/27/46/1422482746.db2.gz GBIOOCZHZRXGIX-VXKWHMMOSA-N 1 1 377.488 3.439 20 30 GGEDMO COc1cc(/C=C/C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OCC#N ZINC000153376755 1422505138 /nfs/dbraw/zinc/50/51/38/1422505138.db2.gz WLBLKFXDYHCVMZ-JAZSWGADSA-N 1 1 395.503 3.086 20 30 GGEDMO CCCc1[nH+]ccn1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000153532719 1422590239 /nfs/dbraw/zinc/59/02/39/1422590239.db2.gz QJOQQCYLITVWIY-MRXNPFEDSA-N 1 1 395.507 3.205 20 30 GGEDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000153701655 1422710564 /nfs/dbraw/zinc/71/05/64/1422710564.db2.gz IJLXALRLUQSKNI-UHFFFAOYSA-N 1 1 378.432 3.398 20 30 GGEDMO C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C[NH+]1CCOCC1 ZINC000153719133 1422719351 /nfs/dbraw/zinc/71/93/51/1422719351.db2.gz HKRIGHUEMJCWKX-KRWDZBQOSA-N 1 1 394.475 3.440 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153764002 1422744245 /nfs/dbraw/zinc/74/42/45/1422744245.db2.gz QPHNQTJZDMBUIB-QFIPXVFZSA-N 1 1 378.476 3.017 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153764002 1422744252 /nfs/dbraw/zinc/74/42/52/1422744252.db2.gz QPHNQTJZDMBUIB-QFIPXVFZSA-N 1 1 378.476 3.017 20 30 GGEDMO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000153777280 1422751234 /nfs/dbraw/zinc/75/12/34/1422751234.db2.gz XKNRYGXHIXHVSS-INIZCTEOSA-N 1 1 379.508 3.126 20 30 GGEDMO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000153777368 1422751887 /nfs/dbraw/zinc/75/18/87/1422751887.db2.gz XKNRYGXHIXHVSS-MRXNPFEDSA-N 1 1 379.508 3.126 20 30 GGEDMO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153945132 1422814903 /nfs/dbraw/zinc/81/49/03/1422814903.db2.gz RANUEJIBFQXDOP-LJQANCHMSA-N 1 1 387.405 3.405 20 30 GGEDMO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153945132 1422814904 /nfs/dbraw/zinc/81/49/04/1422814904.db2.gz RANUEJIBFQXDOP-LJQANCHMSA-N 1 1 387.405 3.405 20 30 GGEDMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000153962820 1422817777 /nfs/dbraw/zinc/81/77/77/1422817777.db2.gz OQROCLYNBPUDLD-IBGZPJMESA-N 1 1 381.480 3.174 20 30 GGEDMO Cc1c(C[NH+]2CCSCC2)cccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000153976324 1422820010 /nfs/dbraw/zinc/82/00/10/1422820010.db2.gz UBGNEWLEKDAEJD-UHFFFAOYSA-N 1 1 387.530 3.216 20 30 GGEDMO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)OC(C)(C)C ZINC000153981327 1422820623 /nfs/dbraw/zinc/82/06/23/1422820623.db2.gz NZDZIMPDVOHDSY-UHFFFAOYSA-N 1 1 391.537 3.489 20 30 GGEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)OC(C)(C)C ZINC000153981327 1422820624 /nfs/dbraw/zinc/82/06/24/1422820624.db2.gz NZDZIMPDVOHDSY-UHFFFAOYSA-N 1 1 391.537 3.489 20 30 GGEDMO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCCNc2ccccc2)CC1=O ZINC000153987729 1422821629 /nfs/dbraw/zinc/82/16/29/1422821629.db2.gz FJEARLFNRQJHTE-UHFFFAOYSA-N 1 1 375.476 3.148 20 30 GGEDMO C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C[NH+]1CCOCC1 ZINC000153993425 1422822241 /nfs/dbraw/zinc/82/22/41/1422822241.db2.gz OAXBDJBIIOWXLJ-KRWDZBQOSA-N 1 1 394.475 3.440 20 30 GGEDMO C[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)C[NH+]1CCOCC1 ZINC000154001957 1422824033 /nfs/dbraw/zinc/82/40/33/1422824033.db2.gz UHGUBZKCDAMIMU-HZPDHXFCSA-N 1 1 376.526 3.171 20 30 GGEDMO C=CCc1ccc(OCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000154112747 1422842331 /nfs/dbraw/zinc/84/23/31/1422842331.db2.gz XRKVGPGGXXJYTB-UYAOXDASSA-N 1 1 384.520 3.278 20 30 GGEDMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000154346029 1422876085 /nfs/dbraw/zinc/87/60/85/1422876085.db2.gz VELHYWBDWBKKPB-SECBINFHSA-N 1 1 396.435 3.454 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154766423 1423026340 /nfs/dbraw/zinc/02/63/40/1423026340.db2.gz HDNYURWEOVUIDG-FPOVZHCZSA-N 1 1 385.533 3.338 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154766423 1423026345 /nfs/dbraw/zinc/02/63/45/1423026345.db2.gz HDNYURWEOVUIDG-FPOVZHCZSA-N 1 1 385.533 3.338 20 30 GGEDMO N#CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(-c2ccccc2)n1 ZINC000154820789 1423045065 /nfs/dbraw/zinc/04/50/65/1423045065.db2.gz JNVYUOCYISLTNI-HXUWFJFHSA-N 1 1 391.519 3.202 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)cc1 ZINC000154916321 1423079589 /nfs/dbraw/zinc/07/95/89/1423079589.db2.gz JXFIAGRUBDOADL-XPWALMASSA-N 1 1 386.499 3.114 20 30 GGEDMO C=CCOc1ccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1OC ZINC000154987136 1423100272 /nfs/dbraw/zinc/10/02/72/1423100272.db2.gz BKBCYHOIAUDRAS-SFHVURJKSA-N 1 1 375.490 3.136 20 30 GGEDMO COc1cc(N[C@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)cc(OC)c1 ZINC000155141953 1423193581 /nfs/dbraw/zinc/19/35/81/1423193581.db2.gz BDGWMWJKLKZMOJ-SFHVURJKSA-N 1 1 394.475 3.090 20 30 GGEDMO COc1cc(N[C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)cc(OC)c1 ZINC000155141953 1423193591 /nfs/dbraw/zinc/19/35/91/1423193591.db2.gz BDGWMWJKLKZMOJ-SFHVURJKSA-N 1 1 394.475 3.090 20 30 GGEDMO CC(C)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)NCC1CCCCC1 ZINC000155254315 1423277210 /nfs/dbraw/zinc/27/72/10/1423277210.db2.gz SGGAWEOTFRWPFQ-UHFFFAOYSA-N 1 1 390.915 3.215 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1C#N ZINC000155486736 1423382764 /nfs/dbraw/zinc/38/27/64/1423382764.db2.gz XXFODWRUHLUBNV-XLIONFOSSA-N 1 1 396.491 3.057 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1C#N ZINC000155486736 1423382768 /nfs/dbraw/zinc/38/27/68/1423382768.db2.gz XXFODWRUHLUBNV-XLIONFOSSA-N 1 1 396.491 3.057 20 30 GGEDMO C[C@@H]1C[NH+](C[C@H](O)COc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000155489558 1423383955 /nfs/dbraw/zinc/38/39/55/1423383955.db2.gz LFODXWAXXVZIIQ-LMMKCTJWSA-N 1 1 382.460 3.199 20 30 GGEDMO N#Cc1cccc(OCCC[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000155533689 1423404656 /nfs/dbraw/zinc/40/46/56/1423404656.db2.gz HWIIVKRZRKKHSA-UHFFFAOYSA-N 1 1 381.451 3.314 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000155576605 1423427524 /nfs/dbraw/zinc/42/75/24/1423427524.db2.gz RNYUFLVLOQATIA-CQSZACIVSA-N 1 1 378.867 3.261 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000155576605 1423427532 /nfs/dbraw/zinc/42/75/32/1423427532.db2.gz RNYUFLVLOQATIA-CQSZACIVSA-N 1 1 378.867 3.261 20 30 GGEDMO Cn1cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179926695 1429645416 /nfs/dbraw/zinc/64/54/16/1429645416.db2.gz RDBADDWKDVCLCV-UHFFFAOYSA-N 1 1 392.894 3.329 20 30 GGEDMO N#Cc1ccc(C(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000155674735 1423480279 /nfs/dbraw/zinc/48/02/79/1423480279.db2.gz CXPQCTYIOGBPTQ-KRWDZBQOSA-N 1 1 396.878 3.161 20 30 GGEDMO COc1ccc(C[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@H](CO)C(C)C)cc1 ZINC000179930841 1429647740 /nfs/dbraw/zinc/64/77/40/1429647740.db2.gz XOJBCOBIQHRXPK-OAQYLSRUSA-N 1 1 381.476 3.024 20 30 GGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1C ZINC000155750254 1423516437 /nfs/dbraw/zinc/51/64/37/1423516437.db2.gz OGIWDPZEFXGDID-SFHVURJKSA-N 1 1 377.492 3.396 20 30 GGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1C ZINC000155750254 1423516444 /nfs/dbraw/zinc/51/64/44/1423516444.db2.gz OGIWDPZEFXGDID-SFHVURJKSA-N 1 1 377.492 3.396 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CC2CCOCC2)c1C#N ZINC000155907449 1423589011 /nfs/dbraw/zinc/58/90/11/1423589011.db2.gz SPEUHROCCFPTAV-UHFFFAOYSA-N 1 1 394.519 3.322 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000156022498 1423637363 /nfs/dbraw/zinc/63/73/63/1423637363.db2.gz QWQHUWPIDXRKQW-UWJYYQICSA-N 1 1 397.519 3.055 20 30 GGEDMO CCN1CC[NH+](CCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000156095062 1423670377 /nfs/dbraw/zinc/67/03/77/1423670377.db2.gz WJOKOWXBXCWWOR-UHFFFAOYSA-N 1 1 391.519 3.059 20 30 GGEDMO CC[C@@H](NC(=O)NCc1cccc(C#N)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156124408 1423683504 /nfs/dbraw/zinc/68/35/04/1423683504.db2.gz RCVVGFNIDDQGRL-FGZHOGPDSA-N 1 1 392.503 3.037 20 30 GGEDMO CC[C@@H](NC(=O)NCc1cccc(C#N)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156124408 1423683511 /nfs/dbraw/zinc/68/35/11/1423683511.db2.gz RCVVGFNIDDQGRL-FGZHOGPDSA-N 1 1 392.503 3.037 20 30 GGEDMO CC[C@H](NC(=O)NCc1cccc(C#N)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156124069 1423683609 /nfs/dbraw/zinc/68/36/09/1423683609.db2.gz RCVVGFNIDDQGRL-VXKWHMMOSA-N 1 1 392.503 3.037 20 30 GGEDMO CC[C@H](NC(=O)NCc1cccc(C#N)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156124069 1423683618 /nfs/dbraw/zinc/68/36/18/1423683618.db2.gz RCVVGFNIDDQGRL-VXKWHMMOSA-N 1 1 392.503 3.037 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC3CCOCC3)sc2C1 ZINC000156163511 1423701548 /nfs/dbraw/zinc/70/15/48/1423701548.db2.gz KOVARMSTJQZTQU-AWEZNQCLSA-N 1 1 375.538 3.432 20 30 GGEDMO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000179967728 1429666974 /nfs/dbraw/zinc/66/69/74/1429666974.db2.gz HBMLGXAAZRIHPM-UHFFFAOYSA-N 1 1 385.471 3.475 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C2CCC(CO)CC2)c1C#N ZINC000156275414 1423752774 /nfs/dbraw/zinc/75/27/74/1423752774.db2.gz DFOGSXNTLNEMIL-UHFFFAOYSA-N 1 1 398.507 3.039 20 30 GGEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000156461541 1423813324 /nfs/dbraw/zinc/81/33/24/1423813324.db2.gz SPPMKKBLMMDXBV-MRXNPFEDSA-N 1 1 378.476 3.109 20 30 GGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000156461541 1423813325 /nfs/dbraw/zinc/81/33/25/1423813325.db2.gz SPPMKKBLMMDXBV-MRXNPFEDSA-N 1 1 378.476 3.109 20 30 GGEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000156506408 1423820272 /nfs/dbraw/zinc/82/02/72/1423820272.db2.gz RBJYLXVGANHXMR-HNNXBMFYSA-N 1 1 396.491 3.319 20 30 GGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000156506408 1423820273 /nfs/dbraw/zinc/82/02/73/1423820273.db2.gz RBJYLXVGANHXMR-HNNXBMFYSA-N 1 1 396.491 3.319 20 30 GGEDMO N#Cc1cccc(OCCC[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000156508161 1423820789 /nfs/dbraw/zinc/82/07/89/1423820789.db2.gz OVISIQNMQUEUKM-UHFFFAOYSA-N 1 1 379.489 3.154 20 30 GGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000179990409 1429678804 /nfs/dbraw/zinc/67/88/04/1429678804.db2.gz HQVWKRGMTXOHGR-HMFYCAOWSA-N 1 1 393.535 3.032 20 30 GGEDMO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(SC)cc1OC ZINC000179985910 1429675657 /nfs/dbraw/zinc/67/56/57/1429675657.db2.gz ICBSLMOVUSEZSJ-UHFFFAOYSA-N 1 1 384.505 3.015 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)nc1 ZINC000179987730 1429676489 /nfs/dbraw/zinc/67/64/89/1429676489.db2.gz BQUQGHCVTAWJIQ-UHFFFAOYSA-N 1 1 378.867 3.319 20 30 GGEDMO N#Cc1ccccc1CN(C1CC1)S(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000156726626 1423854921 /nfs/dbraw/zinc/85/49/21/1423854921.db2.gz ZRHISCSYHRJJLO-JOCHJYFZSA-N 1 1 395.528 3.127 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000156842234 1423873697 /nfs/dbraw/zinc/87/36/97/1423873697.db2.gz YYPBFHQERWDSFV-AWEZNQCLSA-N 1 1 391.397 3.000 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1cccc(OC(F)(F)F)c1 ZINC000156842234 1423873699 /nfs/dbraw/zinc/87/36/99/1423873699.db2.gz YYPBFHQERWDSFV-AWEZNQCLSA-N 1 1 391.397 3.000 20 30 GGEDMO C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156929261 1423887687 /nfs/dbraw/zinc/88/76/87/1423887687.db2.gz PFOQXDQHYKZZOG-PTUXOGIPSA-N 1 1 393.531 3.283 20 30 GGEDMO C[C@@H]1C[C@H](N(C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156929261 1423887700 /nfs/dbraw/zinc/88/77/00/1423887700.db2.gz PFOQXDQHYKZZOG-PTUXOGIPSA-N 1 1 393.531 3.283 20 30 GGEDMO C[C@@H]1C[C@H](N(C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156929261 1423887703 /nfs/dbraw/zinc/88/77/03/1423887703.db2.gz PFOQXDQHYKZZOG-PTUXOGIPSA-N 1 1 393.531 3.283 20 30 GGEDMO C[C@H]1C[C@H](N(C)CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000157062264 1423914064 /nfs/dbraw/zinc/91/40/64/1423914064.db2.gz QOPKYDHEPJJRFB-PGRDOPGGSA-N 1 1 376.504 3.482 20 30 GGEDMO Cc1oc(NC(=O)CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C#N)c1C ZINC000157112810 1423928221 /nfs/dbraw/zinc/92/82/21/1423928221.db2.gz OOBZZXFLVTXTSX-IBGZPJMESA-N 1 1 380.492 3.303 20 30 GGEDMO O=C1CCCCN1C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000157118983 1423930502 /nfs/dbraw/zinc/93/05/02/1423930502.db2.gz VKAXMYXOQVUKHN-UHFFFAOYSA-N 1 1 380.410 3.414 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000180002442 1429684355 /nfs/dbraw/zinc/68/43/55/1429684355.db2.gz RYSLGXULMCJSGQ-KRWDZBQOSA-N 1 1 381.451 3.465 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000180002442 1429684364 /nfs/dbraw/zinc/68/43/64/1429684364.db2.gz RYSLGXULMCJSGQ-KRWDZBQOSA-N 1 1 381.451 3.465 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000157528833 1424030855 /nfs/dbraw/zinc/03/08/55/1424030855.db2.gz JDZGRXHHNQBPNF-UHFFFAOYSA-N 1 1 393.487 3.102 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000157528833 1424030864 /nfs/dbraw/zinc/03/08/64/1424030864.db2.gz JDZGRXHHNQBPNF-UHFFFAOYSA-N 1 1 393.487 3.102 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157549687 1424035103 /nfs/dbraw/zinc/03/51/03/1424035103.db2.gz LCLTYBJZNKGOMH-AZUAARDMSA-N 1 1 382.435 3.032 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000157560953 1424038015 /nfs/dbraw/zinc/03/80/15/1424038015.db2.gz VQFITTGERBCISJ-HOTGVXAUSA-N 1 1 395.956 3.487 20 30 GGEDMO COc1cc(C[N@@H+](C)CCNC(=O)C(C)C)ccc1OCc1cccc(C#N)c1 ZINC000157691221 1424065364 /nfs/dbraw/zinc/06/53/64/1424065364.db2.gz UOUKPDSXWXWGJR-UHFFFAOYSA-N 1 1 395.503 3.350 20 30 GGEDMO Cc1cccc(NC(=O)C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C#N ZINC000157706833 1424069352 /nfs/dbraw/zinc/06/93/52/1424069352.db2.gz ULMJWYTTYKIGQK-GOSISDBHSA-N 1 1 396.535 3.308 20 30 GGEDMO Cc1cccc(NC(=O)C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C#N ZINC000157706682 1424069610 /nfs/dbraw/zinc/06/96/10/1424069610.db2.gz ULMJWYTTYKIGQK-SFHVURJKSA-N 1 1 396.535 3.308 20 30 GGEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180020598 1429697457 /nfs/dbraw/zinc/69/74/57/1429697457.db2.gz OSGIQZXEESXBGW-YLJYHZDGSA-N 1 1 393.535 3.476 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000157812136 1424092940 /nfs/dbraw/zinc/09/29/40/1424092940.db2.gz IPFGMSCBBMNLNA-KKSFZXQISA-N 1 1 379.460 3.108 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000157812136 1424092953 /nfs/dbraw/zinc/09/29/53/1424092953.db2.gz IPFGMSCBBMNLNA-KKSFZXQISA-N 1 1 379.460 3.108 20 30 GGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000157873222 1424109051 /nfs/dbraw/zinc/10/90/51/1424109051.db2.gz MXMAIRNWDNCBCB-UHFFFAOYSA-N 1 1 381.476 3.170 20 30 GGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000180022811 1429699140 /nfs/dbraw/zinc/69/91/40/1429699140.db2.gz PGQFIOLFVONMFZ-QGZVFWFLSA-N 1 1 394.475 3.131 20 30 GGEDMO N#Cc1cccc(COc2cccc(C[NH+]3CCN(c4cnccn4)CC3)c2)c1 ZINC000157933143 1424122930 /nfs/dbraw/zinc/12/29/30/1424122930.db2.gz VTKJQUQTGZLXAY-UHFFFAOYSA-N 1 1 385.471 3.249 20 30 GGEDMO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[NH+](C4CC4)CC3)c2)c1 ZINC000158019369 1424140963 /nfs/dbraw/zinc/14/09/63/1424140963.db2.gz NYDHSVDSVDSFRP-UHFFFAOYSA-N 1 1 389.459 3.122 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000158081631 1424160098 /nfs/dbraw/zinc/16/00/98/1424160098.db2.gz JRUZAUWSCLPGHZ-YWZLYKJASA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000158081631 1424160104 /nfs/dbraw/zinc/16/01/04/1424160104.db2.gz JRUZAUWSCLPGHZ-YWZLYKJASA-N 1 1 380.448 3.191 20 30 GGEDMO C=C[C@H](CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000158097024 1424166846 /nfs/dbraw/zinc/16/68/46/1424166846.db2.gz TWHSKZLFHHEKIK-HXUWFJFHSA-N 1 1 391.515 3.302 20 30 GGEDMO CC[N@H+]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000158196866 1424192241 /nfs/dbraw/zinc/19/22/41/1424192241.db2.gz QETRHOBZJYNXAI-UHFFFAOYSA-N 1 1 385.556 3.448 20 30 GGEDMO Cc1cc(C(O)=CONC(=[NH2+])c2ccc3c(c2)CCO3)c(C)n1CC(F)(F)F ZINC000158199074 1424192378 /nfs/dbraw/zinc/19/23/78/1424192378.db2.gz DJXJVIKZSPMAIJ-UHFFFAOYSA-N 1 1 395.381 3.122 20 30 GGEDMO CCC(CC)[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)[NH+]1CCOCC1 ZINC000180043202 1429710805 /nfs/dbraw/zinc/71/08/05/1429710805.db2.gz LHYDLFPDSCVTNW-VQIMIIECSA-N 1 1 388.512 3.236 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000158397962 1424244469 /nfs/dbraw/zinc/24/44/69/1424244469.db2.gz JFFQJYBCXMXLHH-YWZLYKJASA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000158397962 1424244478 /nfs/dbraw/zinc/24/44/78/1424244478.db2.gz JFFQJYBCXMXLHH-YWZLYKJASA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000180045491 1429711623 /nfs/dbraw/zinc/71/16/23/1429711623.db2.gz LUOQECYLPRWDDJ-KRWDZBQOSA-N 1 1 386.496 3.134 20 30 GGEDMO COc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1OCCCC#N ZINC000158553261 1424287768 /nfs/dbraw/zinc/28/77/68/1424287768.db2.gz RVEZFHZUIVZHHA-UHFFFAOYSA-N 1 1 381.476 3.406 20 30 GGEDMO Cc1cc[nH+]c(N2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)c1 ZINC000158940324 1424378355 /nfs/dbraw/zinc/37/83/55/1424378355.db2.gz JPISPMHLYNPXBV-UHFFFAOYSA-N 1 1 378.476 3.160 20 30 GGEDMO N#CC1(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000159119232 1424421963 /nfs/dbraw/zinc/42/19/63/1424421963.db2.gz VGKJYJZHFCLVMG-VXKWHMMOSA-N 1 1 394.563 3.316 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)cn1 ZINC000180079250 1429727029 /nfs/dbraw/zinc/72/70/29/1429727029.db2.gz TUJNSKZLMONUFD-AWEZNQCLSA-N 1 1 376.420 3.188 20 30 GGEDMO C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000159242420 1424455672 /nfs/dbraw/zinc/45/56/72/1424455672.db2.gz SOVMAUCETYKDIT-MGPUTAFESA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000159242420 1424455682 /nfs/dbraw/zinc/45/56/82/1424455682.db2.gz SOVMAUCETYKDIT-MGPUTAFESA-N 1 1 380.448 3.191 20 30 GGEDMO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159286460 1424473370 /nfs/dbraw/zinc/47/33/70/1424473370.db2.gz QTJPJORUFYEBFZ-UHFFFAOYSA-N 1 1 399.926 3.417 20 30 GGEDMO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159286460 1424473375 /nfs/dbraw/zinc/47/33/75/1424473375.db2.gz QTJPJORUFYEBFZ-UHFFFAOYSA-N 1 1 399.926 3.417 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1C#N ZINC000159492884 1424507318 /nfs/dbraw/zinc/50/73/18/1424507318.db2.gz IDOMIYBFKJVHTF-UZLBHIALSA-N 1 1 398.482 3.136 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1C#N ZINC000159497595 1424508299 /nfs/dbraw/zinc/50/82/99/1424508299.db2.gz ZZIZZNOKFKVEIB-CTNGQTDRSA-N 1 1 394.519 3.056 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000159944357 1424554732 /nfs/dbraw/zinc/55/47/32/1424554732.db2.gz OZQDQUCRLXSXLD-UWJYYQICSA-N 1 1 392.503 3.387 20 30 GGEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160039640 1424565890 /nfs/dbraw/zinc/56/58/90/1424565890.db2.gz BEWPEAMDPYCULB-LJQANCHMSA-N 1 1 397.567 3.351 20 30 GGEDMO COc1c(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c(C)nn1C ZINC000160117088 1424575200 /nfs/dbraw/zinc/57/52/00/1424575200.db2.gz FPAQVOWPBYISPC-UHFFFAOYSA-N 1 1 376.460 3.478 20 30 GGEDMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000160235093 1424589372 /nfs/dbraw/zinc/58/93/72/1424589372.db2.gz IJNIJKIJAJQTJO-UHFFFAOYSA-N 1 1 382.483 3.314 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccs3)CC2)c(OC)c1 ZINC000160313085 1424594653 /nfs/dbraw/zinc/59/46/53/1424594653.db2.gz SXMXQWCHRMXWFS-GOSISDBHSA-N 1 1 388.533 3.047 20 30 GGEDMO CC(C)Oc1cncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000160398503 1424601479 /nfs/dbraw/zinc/60/14/79/1424601479.db2.gz ABHUKEHWVPGDLI-UHFFFAOYSA-N 1 1 378.476 3.089 20 30 GGEDMO CC(C)Oc1cncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000160398503 1424601484 /nfs/dbraw/zinc/60/14/84/1424601484.db2.gz ABHUKEHWVPGDLI-UHFFFAOYSA-N 1 1 378.476 3.089 20 30 GGEDMO C=C(C)COc1cc(C[N@@H+](CCCC)[C@@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160793779 1424635295 /nfs/dbraw/zinc/63/52/95/1424635295.db2.gz ORHUEELUTQTKFR-GOSISDBHSA-N 1 1 381.538 3.439 20 30 GGEDMO C=C(C)COc1cc(C[N@H+](CCCC)[C@@H]2CCS(=O)(=O)C2)ccc1OC ZINC000160793779 1424635299 /nfs/dbraw/zinc/63/52/99/1424635299.db2.gz ORHUEELUTQTKFR-GOSISDBHSA-N 1 1 381.538 3.439 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3csc([C@@H]4CCCO4)n3)CC2)cc1 ZINC000161165717 1424663485 /nfs/dbraw/zinc/66/34/85/1424663485.db2.gz KLRVTZXAZMPLLL-IBGZPJMESA-N 1 1 396.516 3.214 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3csc([C@@H]4CCCO4)n3)CC2)cc1 ZINC000161165717 1424663496 /nfs/dbraw/zinc/66/34/96/1424663496.db2.gz KLRVTZXAZMPLLL-IBGZPJMESA-N 1 1 396.516 3.214 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3csc([C@H]4CCCO4)n3)CC2)cc1 ZINC000161165863 1424663917 /nfs/dbraw/zinc/66/39/17/1424663917.db2.gz KLRVTZXAZMPLLL-LJQANCHMSA-N 1 1 396.516 3.214 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3csc([C@H]4CCCO4)n3)CC2)cc1 ZINC000161165863 1424663924 /nfs/dbraw/zinc/66/39/24/1424663924.db2.gz KLRVTZXAZMPLLL-LJQANCHMSA-N 1 1 396.516 3.214 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC[C@@H]21 ZINC000161496005 1424695783 /nfs/dbraw/zinc/69/57/83/1424695783.db2.gz VGVWSOSDILHQHS-CJNGLKHVSA-N 1 1 396.413 3.447 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CNc1cccc(C#N)c1 ZINC000161565682 1424713372 /nfs/dbraw/zinc/71/33/72/1424713372.db2.gz IWQPNSJJMDEKOS-OAQYLSRUSA-N 1 1 392.503 3.189 20 30 GGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000161727338 1424751929 /nfs/dbraw/zinc/75/19/29/1424751929.db2.gz DMPBJUMVWKEGAT-QGZVFWFLSA-N 1 1 381.476 3.438 20 30 GGEDMO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000161856674 1424780655 /nfs/dbraw/zinc/78/06/55/1424780655.db2.gz FDRNIHSHZJUZLD-CQSZACIVSA-N 1 1 377.872 3.205 20 30 GGEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000161856674 1424780662 /nfs/dbraw/zinc/78/06/62/1424780662.db2.gz FDRNIHSHZJUZLD-CQSZACIVSA-N 1 1 377.872 3.205 20 30 GGEDMO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000161983778 1424805898 /nfs/dbraw/zinc/80/58/98/1424805898.db2.gz MKMMGAVVKOQJHL-CQSZACIVSA-N 1 1 377.872 3.205 20 30 GGEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000161983778 1424805899 /nfs/dbraw/zinc/80/58/99/1424805899.db2.gz MKMMGAVVKOQJHL-CQSZACIVSA-N 1 1 377.872 3.205 20 30 GGEDMO N#CC1(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CCOCC1 ZINC000162207983 1424826891 /nfs/dbraw/zinc/82/68/91/1424826891.db2.gz PZIAGYCTWVNVAH-UHFFFAOYSA-N 1 1 387.483 3.221 20 30 GGEDMO C[C@@H]1CCC[C@H](CO)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162339429 1424839736 /nfs/dbraw/zinc/83/97/36/1424839736.db2.gz PONWKNTUTALUHN-HUUCEWRRSA-N 1 1 375.538 3.453 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2[C@@H](CO)CCC[C@@H]2C)c1C#N ZINC000162416416 1424848991 /nfs/dbraw/zinc/84/89/91/1424848991.db2.gz KSMUDDXMAKPNMW-OXJNMPFZSA-N 1 1 394.519 3.199 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)c1C#N ZINC000162416416 1424848996 /nfs/dbraw/zinc/84/89/96/1424848996.db2.gz KSMUDDXMAKPNMW-OXJNMPFZSA-N 1 1 394.519 3.199 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000162809675 1424892600 /nfs/dbraw/zinc/89/26/00/1424892600.db2.gz YLDREGUWPVGHBB-WMZOPIPTSA-N 1 1 393.528 3.114 20 30 GGEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1CO ZINC000162924740 1424907306 /nfs/dbraw/zinc/90/73/06/1424907306.db2.gz IILULSCAZPAZOV-WMLDXEAASA-N 1 1 375.538 3.310 20 30 GGEDMO COc1cc(/C=C/C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1OCC#N ZINC000163338459 1424981052 /nfs/dbraw/zinc/98/10/52/1424981052.db2.gz WLCZABOOWFQYCK-QRBZPYHOSA-N 1 1 385.508 3.095 20 30 GGEDMO C[C@H](c1cccnc1)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180156026 1429768497 /nfs/dbraw/zinc/76/84/97/1429768497.db2.gz SWXBPQIDULSXKD-GOSISDBHSA-N 1 1 386.503 3.233 20 30 GGEDMO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180156026 1429768504 /nfs/dbraw/zinc/76/85/04/1429768504.db2.gz SWXBPQIDULSXKD-GOSISDBHSA-N 1 1 386.503 3.233 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163647046 1425028526 /nfs/dbraw/zinc/02/85/26/1425028526.db2.gz XWMCRRWEZMFVIZ-IBGZPJMESA-N 1 1 387.524 3.210 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNc1cccc(C#N)c1 ZINC000163695220 1425035717 /nfs/dbraw/zinc/03/57/17/1425035717.db2.gz OWIJTEAVEYJFSP-OAQYLSRUSA-N 1 1 376.504 3.341 20 30 GGEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)Cc2ccccc2)nnc1-c1ccccn1 ZINC000163847232 1425050114 /nfs/dbraw/zinc/05/01/14/1425050114.db2.gz RWAHXGLGNQVTSA-GOSISDBHSA-N 1 1 395.532 3.111 20 30 GGEDMO C=CCc1cc(C[N@@H+]2CCCN(c3nccc(OCC)n3)CC2)c(O)c(OC)c1 ZINC000164530962 1425121393 /nfs/dbraw/zinc/12/13/93/1425121393.db2.gz HGKIOYGSBZTGFX-UHFFFAOYSA-N 1 1 398.507 3.030 20 30 GGEDMO C=CCn1c(-c2cccnc2)nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1=S ZINC000164684965 1425135420 /nfs/dbraw/zinc/13/54/20/1425135420.db2.gz KBYDRISLZLJJNV-ROUUACIJSA-N 1 1 384.553 3.036 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])c(C#N)c3)C2)cc(OC)c1 ZINC000167080514 1425221938 /nfs/dbraw/zinc/22/19/38/1425221938.db2.gz HSWFGYPNXFBIAQ-KRWDZBQOSA-N 1 1 382.420 3.170 20 30 GGEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000170652865 1425278626 /nfs/dbraw/zinc/27/86/26/1425278626.db2.gz MNIJQVJDMFDLQF-OAHLLOKOSA-N 1 1 392.525 3.280 20 30 GGEDMO Cc1cc(C(=O)NC2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)c(C)o1 ZINC000170776103 1425336889 /nfs/dbraw/zinc/33/68/89/1425336889.db2.gz QARMUKKHJQSBPS-UHFFFAOYSA-N 1 1 376.460 3.415 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1)C(=O)OC(C)(C)C ZINC000170918007 1425389715 /nfs/dbraw/zinc/38/97/15/1425389715.db2.gz USBISCNIZIBBNB-MRXNPFEDSA-N 1 1 386.496 3.076 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170918840 1425392855 /nfs/dbraw/zinc/39/28/55/1425392855.db2.gz FHFQRFJTPPVMKF-DOTOQJQBSA-N 1 1 386.496 3.074 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170918840 1425392860 /nfs/dbraw/zinc/39/28/60/1425392860.db2.gz FHFQRFJTPPVMKF-DOTOQJQBSA-N 1 1 386.496 3.074 20 30 GGEDMO CN(C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1)C(=O)OC(C)(C)C ZINC000170918713 1425392876 /nfs/dbraw/zinc/39/28/76/1425392876.db2.gz WIVOEXIPTFRAFR-AWEZNQCLSA-N 1 1 392.525 3.137 20 30 GGEDMO CCCN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171105966 1425486020 /nfs/dbraw/zinc/48/60/20/1425486020.db2.gz PWRLODVVWNCJEB-FQEVSTJZSA-N 1 1 398.532 3.019 20 30 GGEDMO CCCN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171105966 1425486023 /nfs/dbraw/zinc/48/60/23/1425486023.db2.gz PWRLODVVWNCJEB-FQEVSTJZSA-N 1 1 398.532 3.019 20 30 GGEDMO Cc1oc(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000171226019 1425549821 /nfs/dbraw/zinc/54/98/21/1425549821.db2.gz CYYZZYUOEPBVOH-INIZCTEOSA-N 1 1 398.482 3.442 20 30 GGEDMO CCC(CC)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[NH+]1CCOCC1 ZINC000171300245 1425603145 /nfs/dbraw/zinc/60/31/45/1425603145.db2.gz YFITVSXHGUAFDO-QFIPXVFZSA-N 1 1 398.551 3.369 20 30 GGEDMO C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000171384734 1425653984 /nfs/dbraw/zinc/65/39/84/1425653984.db2.gz WBKGVUOPPHALGT-UHFFFAOYSA-N 1 1 376.504 3.341 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)CC1 ZINC000171536660 1425721579 /nfs/dbraw/zinc/72/15/79/1425721579.db2.gz UWQKSITUOVJRGA-UHFFFAOYSA-N 1 1 398.475 3.145 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000171585346 1425746295 /nfs/dbraw/zinc/74/62/95/1425746295.db2.gz RYQSAVQHCYKYDQ-HNNXBMFYSA-N 1 1 386.496 3.122 20 30 GGEDMO CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611656 1425758246 /nfs/dbraw/zinc/75/82/46/1425758246.db2.gz FTPNCIXAWAGZHK-KRWDZBQOSA-N 1 1 392.544 3.050 20 30 GGEDMO COc1cccc([C@@H](C)[NH+]2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000171705444 1425795871 /nfs/dbraw/zinc/79/58/71/1425795871.db2.gz PEGTZKOSOYJABR-GOSISDBHSA-N 1 1 392.503 3.274 20 30 GGEDMO COc1cccc([C@@H](C)[NH+]2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000171706636 1425796890 /nfs/dbraw/zinc/79/68/90/1425796890.db2.gz DNKSQPNJRKSKHA-MOPGFXCFSA-N 1 1 398.551 3.105 20 30 GGEDMO C=CC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000171711014 1425799470 /nfs/dbraw/zinc/79/94/70/1425799470.db2.gz GSKMABIJKGUAQK-HXUWFJFHSA-N 1 1 390.959 3.427 20 30 GGEDMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000171806436 1425825464 /nfs/dbraw/zinc/82/54/64/1425825464.db2.gz QDBBOWOLCZDJKQ-GOSISDBHSA-N 1 1 393.487 3.045 20 30 GGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)NCc3ccc(C#N)cc3)CC2)cs1 ZINC000171855871 1425836298 /nfs/dbraw/zinc/83/62/98/1425836298.db2.gz GHAUHXVPUNGILW-UHFFFAOYSA-N 1 1 397.548 3.289 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)/C=C/c3ccccc3C#N)CC2)oc1C ZINC000171889208 1425844050 /nfs/dbraw/zinc/84/40/50/1425844050.db2.gz YISDZOVPNXDXFY-BQYQJAHWSA-N 1 1 378.476 3.205 20 30 GGEDMO N#CCCn1cc(C[NH+]2CCN(Cc3ccncc3)CC2)c(-c2ccccc2)n1 ZINC000171915391 1425851314 /nfs/dbraw/zinc/85/13/14/1425851314.db2.gz DRXQIOAMXGBYCR-UHFFFAOYSA-N 1 1 386.503 3.177 20 30 GGEDMO CCOC(=O)[C@@H](c1ccccc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000171945283 1425858855 /nfs/dbraw/zinc/85/88/55/1425858855.db2.gz SKVHUTQIKGWSPV-JOCHJYFZSA-N 1 1 377.488 3.370 20 30 GGEDMO N#Cc1ccc(Cc2cnc(NC(=O)CCCC[NH+]3CCOCC3)s2)cc1 ZINC000171964260 1425863363 /nfs/dbraw/zinc/86/33/63/1425863363.db2.gz LPMPYHXQMOCQEY-UHFFFAOYSA-N 1 1 384.505 3.047 20 30 GGEDMO N#Cc1c(F)cccc1N1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000172073934 1425889712 /nfs/dbraw/zinc/88/97/12/1425889712.db2.gz LAFUVCPFJPXRRE-UHFFFAOYSA-N 1 1 377.423 3.112 20 30 GGEDMO Cc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C(C)C)n1 ZINC000172127655 1425907115 /nfs/dbraw/zinc/90/71/15/1425907115.db2.gz LQGRWYIXSHGDBJ-UHFFFAOYSA-N 1 1 377.492 3.128 20 30 GGEDMO Cc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C(C)C)n1 ZINC000172127655 1425907123 /nfs/dbraw/zinc/90/71/23/1425907123.db2.gz LQGRWYIXSHGDBJ-UHFFFAOYSA-N 1 1 377.492 3.128 20 30 GGEDMO CC[N@H+](CCOc1ccc(C#N)cc1OC)CC(=O)Nc1c(F)cccc1F ZINC000172647091 1426125008 /nfs/dbraw/zinc/12/50/08/1426125008.db2.gz QTMSQLLOKDZXEN-UHFFFAOYSA-N 1 1 389.402 3.184 20 30 GGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)CC(=O)Nc1c(F)cccc1F ZINC000172647091 1426125015 /nfs/dbraw/zinc/12/50/15/1426125015.db2.gz QTMSQLLOKDZXEN-UHFFFAOYSA-N 1 1 389.402 3.184 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000172680998 1426140570 /nfs/dbraw/zinc/14/05/70/1426140570.db2.gz DVNLRCJQGJRKLD-SFHVURJKSA-N 1 1 383.517 3.152 20 30 GGEDMO CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000172752799 1426173722 /nfs/dbraw/zinc/17/37/22/1426173722.db2.gz PFSYHBGKLNOGHL-SFHVURJKSA-N 1 1 384.524 3.327 20 30 GGEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000172760513 1426176098 /nfs/dbraw/zinc/17/60/98/1426176098.db2.gz JFJWJYBPSVUQAY-OAQYLSRUSA-N 1 1 379.460 3.105 20 30 GGEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000172760513 1426176104 /nfs/dbraw/zinc/17/61/04/1426176104.db2.gz JFJWJYBPSVUQAY-OAQYLSRUSA-N 1 1 379.460 3.105 20 30 GGEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000172760505 1426176226 /nfs/dbraw/zinc/17/62/26/1426176226.db2.gz JFJWJYBPSVUQAY-NRFANRHFSA-N 1 1 379.460 3.105 20 30 GGEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000172760505 1426176232 /nfs/dbraw/zinc/17/62/32/1426176232.db2.gz JFJWJYBPSVUQAY-NRFANRHFSA-N 1 1 379.460 3.105 20 30 GGEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000173187553 1426383153 /nfs/dbraw/zinc/38/31/53/1426383153.db2.gz WBHHUMQSMXEQDT-UHFFFAOYSA-N 1 1 390.443 3.106 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000173222643 1426405554 /nfs/dbraw/zinc/40/55/54/1426405554.db2.gz BJGJFKJKFXPBIJ-HXUWFJFHSA-N 1 1 383.517 3.091 20 30 GGEDMO C[C@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000173230430 1426416349 /nfs/dbraw/zinc/41/63/49/1426416349.db2.gz CFNPCCUHLVLYSX-ZDUSSCGKSA-N 1 1 399.882 3.151 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000173322961 1426505557 /nfs/dbraw/zinc/50/55/57/1426505557.db2.gz VAFFRVPHDAWCAK-LPHOPBHVSA-N 1 1 389.546 3.290 20 30 GGEDMO Cc1[nH+]ccn1CCCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000173433975 1426615662 /nfs/dbraw/zinc/61/56/62/1426615662.db2.gz KUWNKUOOBXJUPE-UHFFFAOYSA-N 1 1 381.480 3.096 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000173447291 1426627257 /nfs/dbraw/zinc/62/72/57/1426627257.db2.gz ZGNXLFAUSMRXMJ-LJQANCHMSA-N 1 1 396.535 3.046 20 30 GGEDMO C[C@@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000173515343 1426686653 /nfs/dbraw/zinc/68/66/53/1426686653.db2.gz KWWVVNLNSQFMTL-LJQANCHMSA-N 1 1 377.488 3.254 20 30 GGEDMO C[C@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000173515355 1426687467 /nfs/dbraw/zinc/68/74/67/1426687467.db2.gz KWWVVNLNSQFMTL-IBGZPJMESA-N 1 1 377.488 3.254 20 30 GGEDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)C1 ZINC000173537018 1426712423 /nfs/dbraw/zinc/71/24/23/1426712423.db2.gz KHSNJFHXKYNEJB-INIZCTEOSA-N 1 1 393.491 3.079 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000173655897 1426811908 /nfs/dbraw/zinc/81/19/08/1426811908.db2.gz XLUMRPSGLUSIHX-IFMALSPDSA-N 1 1 375.472 3.202 20 30 GGEDMO CN(C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)C(=O)OC(C)(C)C ZINC000173664943 1426814141 /nfs/dbraw/zinc/81/41/41/1426814141.db2.gz UPEZUEYXLKXCRG-INIZCTEOSA-N 1 1 397.479 3.297 20 30 GGEDMO CN(C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)C(=O)OC(C)(C)C ZINC000173664943 1426814147 /nfs/dbraw/zinc/81/41/47/1426814147.db2.gz UPEZUEYXLKXCRG-INIZCTEOSA-N 1 1 397.479 3.297 20 30 GGEDMO C#CCOc1ccc(F)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000173798813 1426854205 /nfs/dbraw/zinc/85/42/05/1426854205.db2.gz YRWPWGWCGPWBAN-UHFFFAOYSA-N 1 1 379.395 3.049 20 30 GGEDMO CC1(C)CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000173816660 1426859269 /nfs/dbraw/zinc/85/92/69/1426859269.db2.gz KIBLYVMHEBYQIX-MRXNPFEDSA-N 1 1 384.524 3.088 20 30 GGEDMO CC1(C)CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000173816660 1426859272 /nfs/dbraw/zinc/85/92/72/1426859272.db2.gz KIBLYVMHEBYQIX-MRXNPFEDSA-N 1 1 384.524 3.088 20 30 GGEDMO CC[N@@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000173906088 1426887226 /nfs/dbraw/zinc/88/72/26/1426887226.db2.gz ARLSZSACHBTDFN-CVEARBPZSA-N 1 1 388.581 3.347 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173979505 1426923336 /nfs/dbraw/zinc/92/33/36/1426923336.db2.gz VQNKHCKJZJGRLQ-RXVVDRJESA-N 1 1 376.504 3.339 20 30 GGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cc(C#N)ccc1F ZINC000174024826 1426952062 /nfs/dbraw/zinc/95/20/62/1426952062.db2.gz HFSHUYKOFZOXIH-IBGZPJMESA-N 1 1 380.467 3.361 20 30 GGEDMO N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)CC2)c1 ZINC000174191455 1427042192 /nfs/dbraw/zinc/04/21/92/1427042192.db2.gz CCGZAQWZWYIUIM-FQEVSTJZSA-N 1 1 396.535 3.376 20 30 GGEDMO CN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174235151 1427062851 /nfs/dbraw/zinc/06/28/51/1427062851.db2.gz RRBPKZXAUKRYGJ-OAQYLSRUSA-N 1 1 392.503 3.395 20 30 GGEDMO COc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)cc1C#N ZINC000174260748 1427074090 /nfs/dbraw/zinc/07/40/90/1427074090.db2.gz XIGQDAVVUMZNRN-UHFFFAOYSA-N 1 1 399.516 3.031 20 30 GGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000174361749 1427120292 /nfs/dbraw/zinc/12/02/92/1427120292.db2.gz ZDBPXWHPUUVJES-UHFFFAOYSA-N 1 1 390.531 3.356 20 30 GGEDMO COc1cc(C#N)ccc1OCCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400498 1427139088 /nfs/dbraw/zinc/13/90/88/1427139088.db2.gz CWONEFSBZQTJMU-NRFANRHFSA-N 1 1 379.504 3.400 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)C[C@H](C)O1 ZINC000174428160 1427152347 /nfs/dbraw/zinc/15/23/47/1427152347.db2.gz RPCWZOSQFAKKKN-HOTGVXAUSA-N 1 1 381.451 3.237 20 30 GGEDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1O ZINC000174627253 1427273736 /nfs/dbraw/zinc/27/37/36/1427273736.db2.gz SQONANIXPQATDP-UHFFFAOYSA-N 1 1 385.489 3.283 20 30 GGEDMO CCc1nc(CN2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)no1 ZINC000174840467 1427398405 /nfs/dbraw/zinc/39/84/05/1427398405.db2.gz UXGVEFMTLFYHNO-UHFFFAOYSA-N 1 1 387.487 3.488 20 30 GGEDMO CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc2)CC1 ZINC000174840812 1427399424 /nfs/dbraw/zinc/39/94/24/1427399424.db2.gz WQNNCTYLVFBSIZ-FQEVSTJZSA-N 1 1 382.895 3.082 20 30 GGEDMO COc1ccc([C@H](CO)[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000174861053 1427412694 /nfs/dbraw/zinc/41/26/94/1427412694.db2.gz VNFNIDHMYAOAKB-QFIPXVFZSA-N 1 1 391.471 3.412 20 30 GGEDMO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000174861053 1427412700 /nfs/dbraw/zinc/41/27/00/1427412700.db2.gz VNFNIDHMYAOAKB-QFIPXVFZSA-N 1 1 391.471 3.412 20 30 GGEDMO COc1ncc(C)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174977834 1427475725 /nfs/dbraw/zinc/47/57/25/1427475725.db2.gz HRYUJRQNVUTSTB-UHFFFAOYSA-N 1 1 379.464 3.010 20 30 GGEDMO COc1ncc(C)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174977834 1427475730 /nfs/dbraw/zinc/47/57/30/1427475730.db2.gz HRYUJRQNVUTSTB-UHFFFAOYSA-N 1 1 379.464 3.010 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)CN2CC[N@@H+](C)CC23CCCCC3)c(OC)c1 ZINC000175060664 1427525118 /nfs/dbraw/zinc/52/51/18/1427525118.db2.gz PCGLOEPFSVFWHZ-FQEVSTJZSA-N 1 1 388.552 3.114 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN(C)CC23CCCCC3)c(OC)c1 ZINC000175060664 1427525122 /nfs/dbraw/zinc/52/51/22/1427525122.db2.gz PCGLOEPFSVFWHZ-FQEVSTJZSA-N 1 1 388.552 3.114 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCN(C)CC23CCCCC3)c(OC)c1 ZINC000175060664 1427525126 /nfs/dbraw/zinc/52/51/26/1427525126.db2.gz PCGLOEPFSVFWHZ-FQEVSTJZSA-N 1 1 388.552 3.114 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@]34CCc3ccccc34)CC2)cc1 ZINC000175087131 1427539240 /nfs/dbraw/zinc/53/92/40/1427539240.db2.gz CPFGQTMZGSLJLG-UKILVPOCSA-N 1 1 385.511 3.497 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@]34CCc3ccccc34)CC2)cc1 ZINC000175087131 1427539242 /nfs/dbraw/zinc/53/92/42/1427539242.db2.gz CPFGQTMZGSLJLG-UKILVPOCSA-N 1 1 385.511 3.497 20 30 GGEDMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000175120559 1427557612 /nfs/dbraw/zinc/55/76/12/1427557612.db2.gz DIVVCJGMZBLIDA-OAHLLOKOSA-N 1 1 399.520 3.121 20 30 GGEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C#Cc3ccccc3)CC2)c1C ZINC000175122822 1427559057 /nfs/dbraw/zinc/55/90/57/1427559057.db2.gz ANNINVHMHRFFAQ-UHFFFAOYSA-N 1 1 391.515 3.182 20 30 GGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000175269294 1427637409 /nfs/dbraw/zinc/63/74/09/1427637409.db2.gz FFADRZLPOBVSKQ-LAUBAEHRSA-N 1 1 388.471 3.158 20 30 GGEDMO N#Cc1c[nH]c(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000175329052 1427682318 /nfs/dbraw/zinc/68/23/18/1427682318.db2.gz GAOQYCOSEMDXII-IBGZPJMESA-N 1 1 376.485 3.477 20 30 GGEDMO N#Cc1c[nH]c(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000175329052 1427682329 /nfs/dbraw/zinc/68/23/29/1427682329.db2.gz GAOQYCOSEMDXII-IBGZPJMESA-N 1 1 376.485 3.477 20 30 GGEDMO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1c(F)cccc1F ZINC000175477109 1427776766 /nfs/dbraw/zinc/77/67/66/1427776766.db2.gz QPUIQKQSMNSSEZ-UHFFFAOYSA-N 1 1 386.402 3.126 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1c(F)cccc1F ZINC000175477109 1427776774 /nfs/dbraw/zinc/77/67/74/1427776774.db2.gz QPUIQKQSMNSSEZ-UHFFFAOYSA-N 1 1 386.402 3.126 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)o2)cc1 ZINC000175503298 1427792726 /nfs/dbraw/zinc/79/27/26/1427792726.db2.gz VNHAEWATDLZGEF-UHFFFAOYSA-N 1 1 387.443 3.459 20 30 GGEDMO N#CCSc1cccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c1 ZINC000175679528 1427854731 /nfs/dbraw/zinc/85/47/31/1427854731.db2.gz WOHJGNQDLHUSJA-IBGZPJMESA-N 1 1 394.500 3.004 20 30 GGEDMO N#CCSc1cccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c1 ZINC000175679528 1427854732 /nfs/dbraw/zinc/85/47/32/1427854732.db2.gz WOHJGNQDLHUSJA-IBGZPJMESA-N 1 1 394.500 3.004 20 30 GGEDMO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000175783293 1427891195 /nfs/dbraw/zinc/89/11/95/1427891195.db2.gz NKJAJNYAPZMHTJ-UHFFFAOYSA-N 1 1 391.519 3.380 20 30 GGEDMO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000175813807 1427905784 /nfs/dbraw/zinc/90/57/84/1427905784.db2.gz CJHXKULZMJCPCH-IFMALSPDSA-N 1 1 380.536 3.050 20 30 GGEDMO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000175813864 1427906435 /nfs/dbraw/zinc/90/64/35/1427906435.db2.gz CJHXKULZMJCPCH-UNMCSNQZSA-N 1 1 380.536 3.050 20 30 GGEDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175837346 1427920263 /nfs/dbraw/zinc/92/02/63/1427920263.db2.gz BNGPXPWGMFTRSI-UHFFFAOYSA-N 1 1 383.517 3.408 20 30 GGEDMO C[C@H]1C[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000175844955 1427926847 /nfs/dbraw/zinc/92/68/47/1427926847.db2.gz XNHGMRBZGNFDAT-LAUBAEHRSA-N 1 1 383.517 3.031 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175865557 1427940861 /nfs/dbraw/zinc/94/08/61/1427940861.db2.gz CVROZJYFSWUBIQ-MSOLQXFVSA-N 1 1 388.537 3.072 20 30 GGEDMO N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CCSC3(CCCCC3)C2)C1=O ZINC000175927206 1427977974 /nfs/dbraw/zinc/97/79/74/1427977974.db2.gz FEWFJBDSAWPPFA-UHFFFAOYSA-N 1 1 398.532 3.032 20 30 GGEDMO N#Cc1ccccc1CN1C(=O)CN(C[N@H+]2CCSC3(CCCCC3)C2)C1=O ZINC000175927206 1427977980 /nfs/dbraw/zinc/97/79/80/1427977980.db2.gz FEWFJBDSAWPPFA-UHFFFAOYSA-N 1 1 398.532 3.032 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](OCCCc4ccccc4)C3)C2=O)cc1 ZINC000175949480 1427991118 /nfs/dbraw/zinc/99/11/18/1427991118.db2.gz BSZIZTIZJYFDNX-DHIUTWEWSA-N 1 1 389.499 3.387 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](OCCCc4ccccc4)C3)C2=O)cc1 ZINC000175949480 1427991126 /nfs/dbraw/zinc/99/11/26/1427991126.db2.gz BSZIZTIZJYFDNX-DHIUTWEWSA-N 1 1 389.499 3.387 20 30 GGEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cccc(SCC#N)c3)c2)CCO1 ZINC000176030736 1428036108 /nfs/dbraw/zinc/03/61/08/1428036108.db2.gz UYLINPIQTXHASN-KRWDZBQOSA-N 1 1 395.528 3.453 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cccc(SCC#N)c3)c2)CCO1 ZINC000176030736 1428036114 /nfs/dbraw/zinc/03/61/14/1428036114.db2.gz UYLINPIQTXHASN-KRWDZBQOSA-N 1 1 395.528 3.453 20 30 GGEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000176164282 1428130080 /nfs/dbraw/zinc/13/00/80/1428130080.db2.gz ZHVJMCOMSDBONX-QGZVFWFLSA-N 1 1 381.442 3.430 20 30 GGEDMO C[C@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000176173245 1428138489 /nfs/dbraw/zinc/13/84/89/1428138489.db2.gz ZUYMWABRNLAYAX-OAHLLOKOSA-N 1 1 398.894 3.177 20 30 GGEDMO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000176173233 1428138911 /nfs/dbraw/zinc/13/89/11/1428138911.db2.gz ZUYMWABRNLAYAX-HNNXBMFYSA-N 1 1 398.894 3.177 20 30 GGEDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000176248622 1428194319 /nfs/dbraw/zinc/19/43/19/1428194319.db2.gz JRCJPMRITPSBTH-OAQYLSRUSA-N 1 1 383.517 3.235 20 30 GGEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000176248622 1428194325 /nfs/dbraw/zinc/19/43/25/1428194325.db2.gz JRCJPMRITPSBTH-OAQYLSRUSA-N 1 1 383.517 3.235 20 30 GGEDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000176248605 1428194714 /nfs/dbraw/zinc/19/47/14/1428194714.db2.gz JRCJPMRITPSBTH-NRFANRHFSA-N 1 1 383.517 3.235 20 30 GGEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000176248605 1428194715 /nfs/dbraw/zinc/19/47/15/1428194715.db2.gz JRCJPMRITPSBTH-NRFANRHFSA-N 1 1 383.517 3.235 20 30 GGEDMO Cn1cc(CNCC2([NH+]3CCCCC3)CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180197724 1429799054 /nfs/dbraw/zinc/79/90/54/1429799054.db2.gz FILZQWODRMSOMT-UHFFFAOYSA-N 1 1 393.535 3.083 20 30 GGEDMO Cn1cc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180212512 1429803222 /nfs/dbraw/zinc/80/32/22/1429803222.db2.gz IKTZMYRQTKESPF-MHZLTWQESA-N 1 1 378.501 3.328 20 30 GGEDMO Cn1cc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180212512 1429803223 /nfs/dbraw/zinc/80/32/23/1429803223.db2.gz IKTZMYRQTKESPF-MHZLTWQESA-N 1 1 378.501 3.328 20 30 GGEDMO COC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000180234563 1429810338 /nfs/dbraw/zinc/81/03/38/1429810338.db2.gz HSISQKDZJJRKGH-UXHICEINSA-N 1 1 385.414 3.309 20 30 GGEDMO COC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)c(F)c1 ZINC000180234621 1429810435 /nfs/dbraw/zinc/81/04/35/1429810435.db2.gz HSISQKDZJJRKGH-VQTJNVASSA-N 1 1 385.414 3.309 20 30 GGEDMO CCc1nn(C)c(OC)c1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000180270699 1429820472 /nfs/dbraw/zinc/82/04/72/1429820472.db2.gz NCQBMQYGFKCLLE-UHFFFAOYSA-N 1 1 378.480 3.058 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000180411969 1429861464 /nfs/dbraw/zinc/86/14/64/1429861464.db2.gz IHMLWWYLXOKFNN-MSOLQXFVSA-N 1 1 399.535 3.349 20 30 GGEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000180545434 1429894650 /nfs/dbraw/zinc/89/46/50/1429894650.db2.gz HPORKBWSIJCPSI-PMACEKPBSA-N 1 1 385.533 3.422 20 30 GGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000180545434 1429894655 /nfs/dbraw/zinc/89/46/55/1429894655.db2.gz HPORKBWSIJCPSI-PMACEKPBSA-N 1 1 385.533 3.422 20 30 GGEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000180618576 1429936294 /nfs/dbraw/zinc/93/62/94/1429936294.db2.gz YQBACQZMIAYVDT-KRWDZBQOSA-N 1 1 377.452 3.160 20 30 GGEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000180618576 1429936299 /nfs/dbraw/zinc/93/62/99/1429936299.db2.gz YQBACQZMIAYVDT-KRWDZBQOSA-N 1 1 377.452 3.160 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654972 1429959006 /nfs/dbraw/zinc/95/90/06/1429959006.db2.gz ZHIGBSSURSGBOQ-GHTZIAJQSA-N 1 1 398.507 3.057 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2ccccn2)c1C#N ZINC000180712287 1429993651 /nfs/dbraw/zinc/99/36/51/1429993651.db2.gz SCJSHTPSKQGWSC-HNNXBMFYSA-N 1 1 377.448 3.302 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000180894562 1430094401 /nfs/dbraw/zinc/09/44/01/1430094401.db2.gz UYGHEQPQRXFLKH-GOSISDBHSA-N 1 1 395.503 3.217 20 30 GGEDMO CC(C)(C)n1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000180953636 1430132612 /nfs/dbraw/zinc/13/26/12/1430132612.db2.gz PMTMDGXCGGCQAW-UHFFFAOYSA-N 1 1 380.496 3.250 20 30 GGEDMO CC(C)(C)n1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000180953636 1430132620 /nfs/dbraw/zinc/13/26/20/1430132620.db2.gz PMTMDGXCGGCQAW-UHFFFAOYSA-N 1 1 380.496 3.250 20 30 GGEDMO C=CCNC(=O)C[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000180953945 1430132966 /nfs/dbraw/zinc/13/29/66/1430132966.db2.gz BGGVRWXEFYCUPW-IBGZPJMESA-N 1 1 383.492 3.297 20 30 GGEDMO N#Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c[nH]1 ZINC000181177849 1430239279 /nfs/dbraw/zinc/23/92/79/1430239279.db2.gz MMICSXYCFVUWSQ-UHFFFAOYSA-N 1 1 376.382 3.253 20 30 GGEDMO C=C(C)C[N@@H+](C)Cc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC ZINC000181248496 1430256335 /nfs/dbraw/zinc/25/63/35/1430256335.db2.gz GWYCWSLXGCRXMM-UHFFFAOYSA-N 1 1 390.553 3.239 20 30 GGEDMO C=C(C)C[N@H+](C)Cc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC ZINC000181248496 1430256338 /nfs/dbraw/zinc/25/63/38/1430256338.db2.gz GWYCWSLXGCRXMM-UHFFFAOYSA-N 1 1 390.553 3.239 20 30 GGEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCC[C@@H]1O ZINC000181423830 1430295163 /nfs/dbraw/zinc/29/51/63/1430295163.db2.gz MHFFWCYQDWXJKU-YOEHRIQHSA-N 1 1 375.538 3.310 20 30 GGEDMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCC[C@@H]1O ZINC000181423830 1430295167 /nfs/dbraw/zinc/29/51/67/1430295167.db2.gz MHFFWCYQDWXJKU-YOEHRIQHSA-N 1 1 375.538 3.310 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1C#N ZINC000181448305 1430301767 /nfs/dbraw/zinc/30/17/67/1430301767.db2.gz KJGYREBNTPAKOC-PXNSSMCTSA-N 1 1 398.507 3.039 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181452534 1430302755 /nfs/dbraw/zinc/30/27/55/1430302755.db2.gz UEVLCDIJQXZIIB-RYRKJORJSA-N 1 1 375.538 3.360 20 30 GGEDMO CCC[N@@H+](CCC(=O)N(C)CCC#N)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000181538754 1430317322 /nfs/dbraw/zinc/31/73/22/1430317322.db2.gz PTCJJIFBHQHIDN-UHFFFAOYSA-N 1 1 399.322 3.406 20 30 GGEDMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2CC2)n1 ZINC000181601012 1430325899 /nfs/dbraw/zinc/32/58/99/1430325899.db2.gz ALPYBOTWVBCZDW-SFHVURJKSA-N 1 1 392.488 3.188 20 30 GGEDMO C[N@@H+](CCCO)C1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000181609307 1430327471 /nfs/dbraw/zinc/32/74/71/1430327471.db2.gz PELWYRKIHQEKSK-UHFFFAOYSA-N 1 1 391.515 3.397 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(NCC(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000181609350 1430327560 /nfs/dbraw/zinc/32/75/60/1430327560.db2.gz NSTMEPIAVYGCNL-UHFFFAOYSA-N 1 1 388.515 3.092 20 30 GGEDMO C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000181765873 1430354958 /nfs/dbraw/zinc/35/49/58/1430354958.db2.gz CTNCTTXMVKZCCZ-QHCPKHFHSA-N 1 1 393.531 3.194 20 30 GGEDMO Cc1oc(NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)c(C#N)c1C ZINC000181838655 1430370219 /nfs/dbraw/zinc/37/02/19/1430370219.db2.gz XZSCXBMAIWQOIR-SFHVURJKSA-N 1 1 383.448 3.379 20 30 GGEDMO C#CCCOc1ccc(C[NH2+][C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1 ZINC000181945534 1430386926 /nfs/dbraw/zinc/38/69/26/1430386926.db2.gz LYSXGYXRCWRKKC-QGZVFWFLSA-N 1 1 380.452 3.134 20 30 GGEDMO C#CCCOc1ccc(C[NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1 ZINC000181945508 1430387019 /nfs/dbraw/zinc/38/70/19/1430387019.db2.gz LYSXGYXRCWRKKC-KRWDZBQOSA-N 1 1 380.452 3.134 20 30 GGEDMO Cc1nn(C(C)(C)C)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000181976218 1430390977 /nfs/dbraw/zinc/39/09/77/1430390977.db2.gz AWQLWVSOPQEDTH-UHFFFAOYSA-N 1 1 379.508 3.166 20 30 GGEDMO Cc1nn(C(C)(C)C)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000181976218 1430390978 /nfs/dbraw/zinc/39/09/78/1430390978.db2.gz AWQLWVSOPQEDTH-UHFFFAOYSA-N 1 1 379.508 3.166 20 30 GGEDMO CCCC[N@@H+](CCCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000182150023 1430420513 /nfs/dbraw/zinc/42/05/13/1430420513.db2.gz LDIDSJSGZFJYPG-UHFFFAOYSA-N 1 1 386.496 3.041 20 30 GGEDMO N#Cc1cc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c[nH]1 ZINC000182254859 1430437923 /nfs/dbraw/zinc/43/79/23/1430437923.db2.gz GJJCTPSDAMCOPP-MRXNPFEDSA-N 1 1 390.409 3.413 20 30 GGEDMO N#Cc1cc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c[nH]1 ZINC000182254834 1430437950 /nfs/dbraw/zinc/43/79/50/1430437950.db2.gz GJJCTPSDAMCOPP-INIZCTEOSA-N 1 1 390.409 3.413 20 30 GGEDMO CC(C)[C@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)[NH+]1CCOCC1 ZINC000182321901 1430448329 /nfs/dbraw/zinc/44/83/29/1430448329.db2.gz XABRCYSVDHCKQT-FQEVSTJZSA-N 1 1 393.487 3.437 20 30 GGEDMO N#Cc1ccccc1Oc1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000182349919 1430452185 /nfs/dbraw/zinc/45/21/85/1430452185.db2.gz KZMRLCVXYHJDAF-LJQANCHMSA-N 1 1 393.487 3.317 20 30 GGEDMO C=CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000182618503 1430503604 /nfs/dbraw/zinc/50/36/04/1430503604.db2.gz DNEAMQJDGSNETG-HXUWFJFHSA-N 1 1 394.544 3.145 20 30 GGEDMO C=CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000182618503 1430503608 /nfs/dbraw/zinc/50/36/08/1430503608.db2.gz DNEAMQJDGSNETG-HXUWFJFHSA-N 1 1 394.544 3.145 20 30 GGEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000182618669 1430503634 /nfs/dbraw/zinc/50/36/34/1430503634.db2.gz BLSKBKFLZDLJAZ-FQEVSTJZSA-N 1 1 394.544 3.122 20 30 GGEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000182618669 1430503637 /nfs/dbraw/zinc/50/36/37/1430503637.db2.gz BLSKBKFLZDLJAZ-FQEVSTJZSA-N 1 1 394.544 3.122 20 30 GGEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000182618692 1430503838 /nfs/dbraw/zinc/50/38/38/1430503838.db2.gz BLSKBKFLZDLJAZ-HXUWFJFHSA-N 1 1 394.544 3.122 20 30 GGEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000182618692 1430503843 /nfs/dbraw/zinc/50/38/43/1430503843.db2.gz BLSKBKFLZDLJAZ-HXUWFJFHSA-N 1 1 394.544 3.122 20 30 GGEDMO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1cccs1 ZINC000182619094 1430503865 /nfs/dbraw/zinc/50/38/65/1430503865.db2.gz UZINHZPWLJRYAX-KRWDZBQOSA-N 1 1 388.562 3.041 20 30 GGEDMO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1cccs1 ZINC000182619094 1430503867 /nfs/dbraw/zinc/50/38/67/1430503867.db2.gz UZINHZPWLJRYAX-KRWDZBQOSA-N 1 1 388.562 3.041 20 30 GGEDMO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000182638906 1430507319 /nfs/dbraw/zinc/50/73/19/1430507319.db2.gz PTVIGWYCCABQDJ-ZDUSSCGKSA-N 1 1 377.510 3.101 20 30 GGEDMO CCOC(=O)C[C@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000182638906 1430507327 /nfs/dbraw/zinc/50/73/27/1430507327.db2.gz PTVIGWYCCABQDJ-ZDUSSCGKSA-N 1 1 377.510 3.101 20 30 GGEDMO CCCC[N@H+](C)CC1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182664374 1430512877 /nfs/dbraw/zinc/51/28/77/1430512877.db2.gz WYEMQGBIHUAFBA-QFIPXVFZSA-N 1 1 382.552 3.498 20 30 GGEDMO CCCC[N@@H+](C)CC1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182664374 1430512880 /nfs/dbraw/zinc/51/28/80/1430512880.db2.gz WYEMQGBIHUAFBA-QFIPXVFZSA-N 1 1 382.552 3.498 20 30 GGEDMO CCCC[N@H+](C)CC1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182664353 1430513032 /nfs/dbraw/zinc/51/30/32/1430513032.db2.gz WYEMQGBIHUAFBA-JOCHJYFZSA-N 1 1 382.552 3.498 20 30 GGEDMO CCCC[N@@H+](C)CC1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182664353 1430513034 /nfs/dbraw/zinc/51/30/34/1430513034.db2.gz WYEMQGBIHUAFBA-JOCHJYFZSA-N 1 1 382.552 3.498 20 30 GGEDMO CN(C(=O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C1(C#N)CCCCC1 ZINC000182836912 1430550733 /nfs/dbraw/zinc/55/07/33/1430550733.db2.gz LQHCUXBSNQJUTL-OAHLLOKOSA-N 1 1 397.445 3.224 20 30 GGEDMO CN(C(=O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C1(C#N)CCCCC1 ZINC000182836912 1430550734 /nfs/dbraw/zinc/55/07/34/1430550734.db2.gz LQHCUXBSNQJUTL-OAHLLOKOSA-N 1 1 397.445 3.224 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182844536 1430552331 /nfs/dbraw/zinc/55/23/31/1430552331.db2.gz HUWOVUCSPGAAON-CJNGLKHVSA-N 1 1 391.397 3.438 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182844536 1430552334 /nfs/dbraw/zinc/55/23/34/1430552334.db2.gz HUWOVUCSPGAAON-CJNGLKHVSA-N 1 1 391.397 3.438 20 30 GGEDMO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000182899455 1430566150 /nfs/dbraw/zinc/56/61/50/1430566150.db2.gz ZTTRWQFJMOSODC-JOCHJYFZSA-N 1 1 379.504 3.151 20 30 GGEDMO C[C@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000183121793 1430619825 /nfs/dbraw/zinc/61/98/25/1430619825.db2.gz MBIUUQRZFPFLBL-RTMHETIGSA-N 1 1 383.517 3.031 20 30 GGEDMO C[C@@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183122239 1430620734 /nfs/dbraw/zinc/62/07/34/1430620734.db2.gz UVKVBXLPEZMOMD-PUGHZWENSA-N 1 1 389.565 3.015 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c1C ZINC000183157381 1430632066 /nfs/dbraw/zinc/63/20/66/1430632066.db2.gz RBZCWIJIVAEALP-MMTVBGGISA-N 1 1 397.544 3.260 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c1C ZINC000183157436 1430632771 /nfs/dbraw/zinc/63/27/71/1430632771.db2.gz RBZCWIJIVAEALP-PIIWDFAUSA-N 1 1 397.544 3.260 20 30 GGEDMO CN(C(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)C1(C#N)CCCCC1 ZINC000183203739 1430647364 /nfs/dbraw/zinc/64/73/64/1430647364.db2.gz DITHUPDVKGMTMM-UHFFFAOYSA-N 1 1 397.445 3.224 20 30 GGEDMO Cc1ccc(NC(=O)N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000183620604 1430756551 /nfs/dbraw/zinc/75/65/51/1430756551.db2.gz USQOHCNRHMXLNS-UHFFFAOYSA-N 1 1 391.475 3.045 20 30 GGEDMO Cc1cnc(C(C)(C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000183959349 1430818723 /nfs/dbraw/zinc/81/87/23/1430818723.db2.gz RVQYQQYFMFFSIB-UHFFFAOYSA-N 1 1 395.450 3.463 20 30 GGEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000184324034 1430873242 /nfs/dbraw/zinc/87/32/42/1430873242.db2.gz NOXDEKDITAALFN-SJORKVTESA-N 1 1 389.569 3.228 20 30 GGEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000184332659 1430874151 /nfs/dbraw/zinc/87/41/51/1430874151.db2.gz NCBLGJYSIYDBNQ-QGZVFWFLSA-N 1 1 397.422 3.158 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000184419072 1430885710 /nfs/dbraw/zinc/88/57/10/1430885710.db2.gz FVFABAVMRKVOSA-FQEVSTJZSA-N 1 1 393.487 3.434 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000184445246 1430888679 /nfs/dbraw/zinc/88/86/79/1430888679.db2.gz LAIUBPTXJMGFBO-UHFFFAOYSA-N 1 1 394.475 3.142 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000184604482 1430916848 /nfs/dbraw/zinc/91/68/48/1430916848.db2.gz UYJSSSIBRNTBGG-UHFFFAOYSA-N 1 1 388.512 3.360 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000184606921 1430918039 /nfs/dbraw/zinc/91/80/39/1430918039.db2.gz VBANGEYLTQLXQI-MRXNPFEDSA-N 1 1 388.512 3.215 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000184623325 1430922552 /nfs/dbraw/zinc/92/25/52/1430922552.db2.gz VUXDLXYDMGZSTC-KRWDZBQOSA-N 1 1 388.512 3.217 20 30 GGEDMO COC(=O)[C@@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000184714876 1430950532 /nfs/dbraw/zinc/95/05/32/1430950532.db2.gz MPGDAMFEXGIOAR-VXKWHMMOSA-N 1 1 377.488 3.273 20 30 GGEDMO COC(=O)[C@@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000184714899 1430950918 /nfs/dbraw/zinc/95/09/18/1430950918.db2.gz MPGDAMFEXGIOAR-YADHBBJMSA-N 1 1 377.488 3.273 20 30 GGEDMO CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000184946399 1431027795 /nfs/dbraw/zinc/02/77/95/1431027795.db2.gz QKZMCRIFNDJDCF-QFIPXVFZSA-N 1 1 378.520 3.189 20 30 GGEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000184951397 1431029154 /nfs/dbraw/zinc/02/91/54/1431029154.db2.gz NTKGCWQISGZZSK-NSHDSACASA-N 1 1 392.912 3.434 20 30 GGEDMO CCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000184953273 1431029382 /nfs/dbraw/zinc/02/93/82/1431029382.db2.gz AENILTILUSSHBV-PGRDOPGGSA-N 1 1 378.520 3.360 20 30 GGEDMO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185064794 1431052559 /nfs/dbraw/zinc/05/25/59/1431052559.db2.gz ZIDHHVBCIUELJS-CYBMUJFWSA-N 1 1 379.395 3.427 20 30 GGEDMO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185075680 1431054947 /nfs/dbraw/zinc/05/49/47/1431054947.db2.gz BQYQUBPSKQJPPR-ZDUSSCGKSA-N 1 1 382.395 3.486 20 30 GGEDMO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185075698 1431055038 /nfs/dbraw/zinc/05/50/38/1431055038.db2.gz BQYQUBPSKQJPPR-CYBMUJFWSA-N 1 1 382.395 3.486 20 30 GGEDMO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1nc(-c2cccc(F)c2)no1 ZINC000185086111 1431057309 /nfs/dbraw/zinc/05/73/09/1431057309.db2.gz JNLAXMKSQJXSAE-LLVKDONJSA-N 1 1 385.424 3.488 20 30 GGEDMO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000185203824 1431084105 /nfs/dbraw/zinc/08/41/05/1431084105.db2.gz YVYRQJKKTPRBAM-MRXNPFEDSA-N 1 1 383.452 3.001 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1cccc(OCC#N)c1)C1CC1 ZINC000185301522 1431105536 /nfs/dbraw/zinc/10/55/36/1431105536.db2.gz SDCQYLDXKSNXOG-JOCHJYFZSA-N 1 1 377.488 3.158 20 30 GGEDMO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185380443 1431130408 /nfs/dbraw/zinc/13/04/08/1431130408.db2.gz KPSGHIORRDLHRF-OAHLLOKOSA-N 1 1 378.432 3.270 20 30 GGEDMO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185380426 1431130765 /nfs/dbraw/zinc/13/07/65/1431130765.db2.gz KPSGHIORRDLHRF-HNNXBMFYSA-N 1 1 378.432 3.270 20 30 GGEDMO C[C@@H](c1ccsc1)[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000185454743 1431149485 /nfs/dbraw/zinc/14/94/85/1431149485.db2.gz WNRKLQSLRUJUNS-WMLDXEAASA-N 1 1 386.546 3.165 20 30 GGEDMO C[C@@H](c1ccsc1)[NH+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000185497550 1431158043 /nfs/dbraw/zinc/15/80/43/1431158043.db2.gz GNWDBMDFUHMWRC-OXJNMPFZSA-N 1 1 380.517 3.104 20 30 GGEDMO CC[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000185605809 1431181994 /nfs/dbraw/zinc/18/19/94/1431181994.db2.gz HGSFVIJHUIPCPL-OAQYLSRUSA-N 1 1 392.503 3.395 20 30 GGEDMO C=C(C)COc1cc(C[NH2+]C(C)(C)CCN2CCN(C)CC2)ccc1OC ZINC000185895961 1431268110 /nfs/dbraw/zinc/26/81/10/1431268110.db2.gz IBQAICBKQKMHHA-UHFFFAOYSA-N 1 1 375.557 3.156 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000186274524 1431369136 /nfs/dbraw/zinc/36/91/36/1431369136.db2.gz LUISPNUOVVSTFM-QGZVFWFLSA-N 1 1 386.492 3.410 20 30 GGEDMO CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C#N)cc3C)CC2)nc1 ZINC000186279880 1431370303 /nfs/dbraw/zinc/37/03/03/1431370303.db2.gz HUJFNQFRZFGNMW-UHFFFAOYSA-N 1 1 378.476 3.151 20 30 GGEDMO COc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1OCCCC#N ZINC000186497743 1431437162 /nfs/dbraw/zinc/43/71/62/1431437162.db2.gz WKGCAGNLFYLDKH-UHFFFAOYSA-N 1 1 376.522 3.476 20 30 GGEDMO C=CCC[C@@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000186498871 1431438007 /nfs/dbraw/zinc/43/80/07/1431438007.db2.gz LUHDXZWTKKFHEA-DHIUTWEWSA-N 1 1 378.516 3.272 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c(Cl)c1 ZINC000186638089 1431476985 /nfs/dbraw/zinc/47/69/85/1431476985.db2.gz NBZUQPLXCRINFP-MRXNPFEDSA-N 1 1 387.892 3.385 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000186680865 1431490618 /nfs/dbraw/zinc/49/06/18/1431490618.db2.gz GFDFJRIQSSENKM-KBXCAEBGSA-N 1 1 381.467 3.069 20 30 GGEDMO C=CC[C@@H](C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000187022539 1431592638 /nfs/dbraw/zinc/59/26/38/1431592638.db2.gz ZKPRWRZDMOOMBY-JOCHJYFZSA-N 1 1 391.515 3.302 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC1(O)CCCCCC1 ZINC000187333507 1431699931 /nfs/dbraw/zinc/69/99/31/1431699931.db2.gz OJIYMVLCMOBUSS-GOSISDBHSA-N 1 1 387.524 3.347 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2ccccc2NCC#Cc2cccc(Cl)c2)CC1 ZINC000187518682 1431754563 /nfs/dbraw/zinc/75/45/63/1431754563.db2.gz GYBRYBKYDWTHTO-UHFFFAOYSA-N 1 1 381.907 3.468 20 30 GGEDMO C=C(C)[C@@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000187523351 1431755993 /nfs/dbraw/zinc/75/59/93/1431755993.db2.gz VFEHCJNASBFDKX-HXUWFJFHSA-N 1 1 394.510 3.299 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2ccc(Cl)cc2C#N)CC1 ZINC000187536824 1431760395 /nfs/dbraw/zinc/76/03/95/1431760395.db2.gz VEYSFFRORCINCC-UHFFFAOYSA-N 1 1 382.895 3.488 20 30 GGEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1ccc(F)c(F)c1 ZINC000187763099 1431809424 /nfs/dbraw/zinc/80/94/24/1431809424.db2.gz GDGAISGWZNVGPX-NRFANRHFSA-N 1 1 389.446 3.109 20 30 GGEDMO N#Cc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1O ZINC000187867743 1431821774 /nfs/dbraw/zinc/82/17/74/1431821774.db2.gz VCLAFGMODBFDFI-UHFFFAOYSA-N 1 1 392.459 3.331 20 30 GGEDMO C[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000187925809 1431828130 /nfs/dbraw/zinc/82/81/30/1431828130.db2.gz KREBYGXKEHKJRY-MSOLQXFVSA-N 1 1 398.551 3.478 20 30 GGEDMO CN(C(=O)c1ccc(NC(=O)c2cccc(F)c2C#N)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000188244088 1431865137 /nfs/dbraw/zinc/86/51/37/1431865137.db2.gz YBSQACSIKXXMJE-QGZVFWFLSA-N 1 1 394.450 3.116 20 30 GGEDMO CN(C(=O)c1ccc(NC(=O)c2cccc(F)c2C#N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000188244056 1431865150 /nfs/dbraw/zinc/86/51/50/1431865150.db2.gz YBSQACSIKXXMJE-KRWDZBQOSA-N 1 1 394.450 3.116 20 30 GGEDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000188387139 1431879882 /nfs/dbraw/zinc/87/98/82/1431879882.db2.gz AQTCPWVSHAHJNH-OAQYLSRUSA-N 1 1 398.894 3.312 20 30 GGEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000188635739 1431912347 /nfs/dbraw/zinc/91/23/47/1431912347.db2.gz FNMJRABHCCIFFJ-UHFFFAOYSA-N 1 1 389.377 3.196 20 30 GGEDMO N#CCCCOc1cccnc1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000188692796 1431935561 /nfs/dbraw/zinc/93/55/61/1431935561.db2.gz KIAFKGHWHCTZHA-UHFFFAOYSA-N 1 1 393.491 3.334 20 30 GGEDMO C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000188720868 1431945314 /nfs/dbraw/zinc/94/53/14/1431945314.db2.gz DPLGMXFTTBDNPK-QGZVFWFLSA-N 1 1 381.480 3.406 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000188730823 1431948365 /nfs/dbraw/zinc/94/83/65/1431948365.db2.gz BYMXVTOKEYUDGG-MJGOQNOKSA-N 1 1 393.491 3.406 20 30 GGEDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188857212 1431999941 /nfs/dbraw/zinc/99/99/41/1431999941.db2.gz OEXZNWFGEYWLNG-UHFFFAOYSA-N 1 1 394.475 3.137 20 30 GGEDMO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000189029023 1432029742 /nfs/dbraw/zinc/02/97/42/1432029742.db2.gz AEHSIZXJFMRZDL-UGKGYDQZSA-N 1 1 387.524 3.020 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189240574 1432069868 /nfs/dbraw/zinc/06/98/68/1432069868.db2.gz YNZBPZBRCYABQS-FXAWDEMLSA-N 1 1 385.508 3.221 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189240593 1432069954 /nfs/dbraw/zinc/06/99/54/1432069954.db2.gz YNZBPZBRCYABQS-YLJYHZDGSA-N 1 1 385.508 3.221 20 30 GGEDMO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1(c2ccccc2)CC1 ZINC000189313264 1432084418 /nfs/dbraw/zinc/08/44/18/1432084418.db2.gz CLOFDNRGQNUHLT-UHFFFAOYSA-N 1 1 385.471 3.346 20 30 GGEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1(c2ccccc2)CC1 ZINC000189313264 1432084424 /nfs/dbraw/zinc/08/44/24/1432084424.db2.gz CLOFDNRGQNUHLT-UHFFFAOYSA-N 1 1 385.471 3.346 20 30 GGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000189347441 1432090593 /nfs/dbraw/zinc/09/05/93/1432090593.db2.gz KJXOQPUEQILCMX-QGZVFWFLSA-N 1 1 378.476 3.026 20 30 GGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000189347441 1432090599 /nfs/dbraw/zinc/09/05/99/1432090599.db2.gz KJXOQPUEQILCMX-QGZVFWFLSA-N 1 1 378.476 3.026 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H](O)C(F)(F)F ZINC000189432355 1432108688 /nfs/dbraw/zinc/10/86/88/1432108688.db2.gz DXIMJDRNFXDTQK-CQSZACIVSA-N 1 1 389.443 3.072 20 30 GGEDMO Cc1cc2c(ncnc2N2CC[NH+](CCOc3ccccc3C#N)CC2)s1 ZINC000189519587 1432146347 /nfs/dbraw/zinc/14/63/47/1432146347.db2.gz QMPLIIUQCHGITO-UHFFFAOYSA-N 1 1 379.489 3.072 20 30 GGEDMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000189683844 1432202610 /nfs/dbraw/zinc/20/26/10/1432202610.db2.gz ZEQSWTIYNHCODJ-QHCPKHFHSA-N 1 1 394.519 3.200 20 30 GGEDMO C[C@H](C1CC1)n1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000189723753 1432215695 /nfs/dbraw/zinc/21/56/95/1432215695.db2.gz TWAYRJLFMKQLKW-QGZVFWFLSA-N 1 1 392.507 3.466 20 30 GGEDMO C[C@H](C1CC1)n1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000189723753 1432215700 /nfs/dbraw/zinc/21/57/00/1432215700.db2.gz TWAYRJLFMKQLKW-QGZVFWFLSA-N 1 1 392.507 3.466 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)c1cccc(C#N)c1 ZINC000189778077 1432232786 /nfs/dbraw/zinc/23/27/86/1432232786.db2.gz KEBKKYACCMSHHI-SFHVURJKSA-N 1 1 392.503 3.416 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)c1cccc(C#N)c1 ZINC000189778077 1432232791 /nfs/dbraw/zinc/23/27/91/1432232791.db2.gz KEBKKYACCMSHHI-SFHVURJKSA-N 1 1 392.503 3.416 20 30 GGEDMO COc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[NH+]2CCCCC2)cc1 ZINC000189849188 1432252980 /nfs/dbraw/zinc/25/29/80/1432252980.db2.gz YWTOJEWZNRVCPG-HXUWFJFHSA-N 1 1 379.460 3.229 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](CC(C)(C)O)C2CC2)c1C#N ZINC000189895747 1432266352 /nfs/dbraw/zinc/26/63/52/1432266352.db2.gz XLKKNQMJQQJIDW-UHFFFAOYSA-N 1 1 398.482 3.279 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](CC(C)(C)O)C2CC2)c1C#N ZINC000189900932 1432267321 /nfs/dbraw/zinc/26/73/21/1432267321.db2.gz ZZCDFOWKUPLSCT-UHFFFAOYSA-N 1 1 380.492 3.140 20 30 GGEDMO COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000189928101 1432277536 /nfs/dbraw/zinc/27/75/36/1432277536.db2.gz YSKRONINZCCJOZ-QGZVFWFLSA-N 1 1 399.516 3.024 20 30 GGEDMO COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000189928101 1432277544 /nfs/dbraw/zinc/27/75/44/1432277544.db2.gz YSKRONINZCCJOZ-QGZVFWFLSA-N 1 1 399.516 3.024 20 30 GGEDMO COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000189928085 1432277641 /nfs/dbraw/zinc/27/76/41/1432277641.db2.gz YSKRONINZCCJOZ-KRWDZBQOSA-N 1 1 399.516 3.024 20 30 GGEDMO COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000189928085 1432277644 /nfs/dbraw/zinc/27/76/44/1432277644.db2.gz YSKRONINZCCJOZ-KRWDZBQOSA-N 1 1 399.516 3.024 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000190041461 1432309650 /nfs/dbraw/zinc/30/96/50/1432309650.db2.gz UVIJPORHXXGCLO-JOCHJYFZSA-N 1 1 389.499 3.418 20 30 GGEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000190108166 1432321059 /nfs/dbraw/zinc/32/10/59/1432321059.db2.gz IFIDYYQWCKFURD-FCEWJHQRSA-N 1 1 394.437 3.157 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000190108166 1432321063 /nfs/dbraw/zinc/32/10/63/1432321063.db2.gz IFIDYYQWCKFURD-FCEWJHQRSA-N 1 1 394.437 3.157 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000190187418 1432336519 /nfs/dbraw/zinc/33/65/19/1432336519.db2.gz WPIFLWIIDMZRFO-HOTGVXAUSA-N 1 1 390.553 3.390 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190549622 1432404235 /nfs/dbraw/zinc/40/42/35/1432404235.db2.gz SKJOIYBJMYHZJI-KRWDZBQOSA-N 1 1 396.466 3.399 20 30 GGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc2c(s1)CCCC2 ZINC000190614648 1432420741 /nfs/dbraw/zinc/42/07/41/1432420741.db2.gz RSYJOEJCOZOSBA-KSSFIOAISA-N 1 1 380.517 3.345 20 30 GGEDMO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1O ZINC000190694074 1432444393 /nfs/dbraw/zinc/44/43/93/1432444393.db2.gz PXKAVERRUMMCKC-UHFFFAOYSA-N 1 1 392.459 3.331 20 30 GGEDMO N#CCc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000190844314 1432504423 /nfs/dbraw/zinc/50/44/23/1432504423.db2.gz BHWTXVIVXVTFPG-OAQYLSRUSA-N 1 1 378.476 3.165 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)c1C#N ZINC000191263941 1432612386 /nfs/dbraw/zinc/61/23/86/1432612386.db2.gz XZWVIBFUFSSBOS-ZIAGYGMSSA-N 1 1 398.482 3.277 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)c1C#N ZINC000191267264 1432614287 /nfs/dbraw/zinc/61/42/87/1432614287.db2.gz GVRHATZVEIBVOB-HUUCEWRRSA-N 1 1 380.492 3.138 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000191854552 1432740227 /nfs/dbraw/zinc/74/02/27/1432740227.db2.gz FCNQBKRMCOFQNV-VQIMIIECSA-N 1 1 396.453 3.310 20 30 GGEDMO N#Cc1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1F ZINC000191887996 1432747494 /nfs/dbraw/zinc/74/74/94/1432747494.db2.gz IESVGKRHLGGQFS-IBGZPJMESA-N 1 1 382.439 3.110 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191918066 1432755433 /nfs/dbraw/zinc/75/54/33/1432755433.db2.gz SIXMGETZHAWLSC-HXUWFJFHSA-N 1 1 378.476 3.279 20 30 GGEDMO C=CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192221681 1432818924 /nfs/dbraw/zinc/81/89/24/1432818924.db2.gz MKKBYCZFUQITPD-QFIPXVFZSA-N 1 1 380.488 3.272 20 30 GGEDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C[C@H]2C1 ZINC000192483623 1432849953 /nfs/dbraw/zinc/84/99/53/1432849953.db2.gz FVCFDPOLJVSQGE-KDURUIRLSA-N 1 1 377.513 3.484 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192558536 1432859806 /nfs/dbraw/zinc/85/98/06/1432859806.db2.gz QZJQFMHKRSQGBC-QFIPXVFZSA-N 1 1 388.471 3.074 20 30 GGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192558536 1432859808 /nfs/dbraw/zinc/85/98/08/1432859808.db2.gz QZJQFMHKRSQGBC-QFIPXVFZSA-N 1 1 388.471 3.074 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)C2=O)cc1 ZINC000192621616 1432867404 /nfs/dbraw/zinc/86/74/04/1432867404.db2.gz SAOTVLPCRFALKP-AQNXPRMDSA-N 1 1 379.460 3.235 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)C2=O)cc1 ZINC000192621602 1432867436 /nfs/dbraw/zinc/86/74/36/1432867436.db2.gz SAOTVLPCRFALKP-VAMGGRTRSA-N 1 1 379.460 3.235 20 30 GGEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192788790 1432891150 /nfs/dbraw/zinc/89/11/50/1432891150.db2.gz GBCMAJUSYRZLPT-IBGZPJMESA-N 1 1 387.487 3.465 20 30 GGEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192788775 1432891241 /nfs/dbraw/zinc/89/12/41/1432891241.db2.gz GBCMAJUSYRZLPT-LJQANCHMSA-N 1 1 387.487 3.465 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000192813689 1432893859 /nfs/dbraw/zinc/89/38/59/1432893859.db2.gz FRHAKYGQNYPOFH-NHCUHLMSSA-N 1 1 377.532 3.273 20 30 GGEDMO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192980370 1432916226 /nfs/dbraw/zinc/91/62/26/1432916226.db2.gz UXMNUDWYAKPMAP-KRWDZBQOSA-N 1 1 389.908 3.012 20 30 GGEDMO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192980183 1432916247 /nfs/dbraw/zinc/91/62/47/1432916247.db2.gz UGZIGGNXYGLFGX-MRXNPFEDSA-N 1 1 389.908 3.012 20 30 GGEDMO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192980198 1432916269 /nfs/dbraw/zinc/91/62/69/1432916269.db2.gz UGZIGGNXYGLFGX-INIZCTEOSA-N 1 1 389.908 3.012 20 30 GGEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192984227 1432917234 /nfs/dbraw/zinc/91/72/34/1432917234.db2.gz MXMVYDIWBQQPMJ-INIZCTEOSA-N 1 1 389.908 3.012 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000192985243 1432917570 /nfs/dbraw/zinc/91/75/70/1432917570.db2.gz NJWPLWBXLOEQIC-QGZVFWFLSA-N 1 1 389.908 3.012 20 30 GGEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000193281083 1432973837 /nfs/dbraw/zinc/97/38/37/1432973837.db2.gz SARSEIBCLVZLLN-MRXNPFEDSA-N 1 1 378.501 3.171 20 30 GGEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000193281083 1432973838 /nfs/dbraw/zinc/97/38/38/1432973838.db2.gz SARSEIBCLVZLLN-MRXNPFEDSA-N 1 1 378.501 3.171 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2nnc3ccccn32)cc1 ZINC000193327741 1432980150 /nfs/dbraw/zinc/98/01/50/1432980150.db2.gz KPERUIVXLQPOMF-SJORKVTESA-N 1 1 376.464 3.024 20 30 GGEDMO CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC000193334794 1432981446 /nfs/dbraw/zinc/98/14/46/1432981446.db2.gz MZLUSYGOAZSQFT-KDURUIRLSA-N 1 1 384.524 3.335 20 30 GGEDMO CN1CC[NH+](Cc2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)CC1 ZINC000193618188 1433029770 /nfs/dbraw/zinc/02/97/70/1433029770.db2.gz JZWIQCZSPKRCTR-UHFFFAOYSA-N 1 1 388.515 3.110 20 30 GGEDMO CN1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000193619330 1433030152 /nfs/dbraw/zinc/03/01/52/1433030152.db2.gz JIPVBFTZJIZIQJ-UHFFFAOYSA-N 1 1 376.504 3.487 20 30 GGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193793855 1433060787 /nfs/dbraw/zinc/06/07/87/1433060787.db2.gz LYBAWLYTQMHLRF-HXUWFJFHSA-N 1 1 377.488 3.354 20 30 GGEDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@H](C)C1 ZINC000194025110 1433102898 /nfs/dbraw/zinc/10/28/98/1433102898.db2.gz KGDUPASNWPCENX-IAGOWNOFSA-N 1 1 395.528 3.237 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@H](C)C1 ZINC000194025110 1433102900 /nfs/dbraw/zinc/10/29/00/1433102900.db2.gz KGDUPASNWPCENX-IAGOWNOFSA-N 1 1 395.528 3.237 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000194131271 1433122622 /nfs/dbraw/zinc/12/26/22/1433122622.db2.gz OVZAQLVRUVNNJB-UHFFFAOYSA-N 1 1 392.503 3.153 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000194199809 1433137207 /nfs/dbraw/zinc/13/72/07/1433137207.db2.gz AWGNILAZCVYKAY-UHFFFAOYSA-N 1 1 397.529 3.380 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000194255770 1433150156 /nfs/dbraw/zinc/15/01/56/1433150156.db2.gz AWCXMCSIETZSID-UHFFFAOYSA-N 1 1 375.428 3.083 20 30 GGEDMO COc1cccc([C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000194412993 1433174055 /nfs/dbraw/zinc/17/40/55/1433174055.db2.gz LKWIJURRDODEBO-GOSISDBHSA-N 1 1 377.488 3.405 20 30 GGEDMO COc1cccc([C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000194412993 1433174056 /nfs/dbraw/zinc/17/40/56/1433174056.db2.gz LKWIJURRDODEBO-GOSISDBHSA-N 1 1 377.488 3.405 20 30 GGEDMO C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194425705 1433176001 /nfs/dbraw/zinc/17/60/01/1433176001.db2.gz WFVPJRUUUSEASI-OAQYLSRUSA-N 1 1 379.479 3.493 20 30 GGEDMO CCN1CC[NH+](CCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000194666808 1433212799 /nfs/dbraw/zinc/21/27/99/1433212799.db2.gz RAJRLDFKEONSCE-UHFFFAOYSA-N 1 1 392.503 3.103 20 30 GGEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000194886922 1433257417 /nfs/dbraw/zinc/25/74/17/1433257417.db2.gz COGWPWYEXHEECQ-CQSZACIVSA-N 1 1 378.398 3.197 20 30 GGEDMO CCOCc1ccccc1CNC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194958173 1433272424 /nfs/dbraw/zinc/27/24/24/1433272424.db2.gz NYPVQKLGQYXILR-UHFFFAOYSA-N 1 1 377.488 3.376 20 30 GGEDMO CCOCc1ccccc1CNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194958173 1433272428 /nfs/dbraw/zinc/27/24/28/1433272428.db2.gz NYPVQKLGQYXILR-UHFFFAOYSA-N 1 1 377.488 3.376 20 30 GGEDMO C[C@@H](O)c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000195070885 1433288556 /nfs/dbraw/zinc/28/85/56/1433288556.db2.gz NDGTZTKTZUWROC-GOSISDBHSA-N 1 1 392.503 3.029 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000195080139 1433289985 /nfs/dbraw/zinc/28/99/85/1433289985.db2.gz OPWPYJXHVHEBRB-ZRGWGRIASA-N 1 1 381.467 3.333 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000195080139 1433289988 /nfs/dbraw/zinc/28/99/88/1433289988.db2.gz OPWPYJXHVHEBRB-ZRGWGRIASA-N 1 1 381.467 3.333 20 30 GGEDMO C=CCc1cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c(OC)c1 ZINC000195177934 1433303366 /nfs/dbraw/zinc/30/33/66/1433303366.db2.gz GBDXUCWAHYFIBQ-HDICACEKSA-N 1 1 388.508 3.428 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)nc1 ZINC000195223952 1433308887 /nfs/dbraw/zinc/30/88/87/1433308887.db2.gz RIDIQAOQLOOOTB-UHFFFAOYSA-N 1 1 376.382 3.173 20 30 GGEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1)C(C)C ZINC000195313392 1433318153 /nfs/dbraw/zinc/31/81/53/1433318153.db2.gz ALDDBTUIGXYNHP-UHFFFAOYSA-N 1 1 391.519 3.146 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3nccs3)C2)c(OC)c1 ZINC000195358162 1433322483 /nfs/dbraw/zinc/32/24/83/1433322483.db2.gz JPCIGHQYFJXYEI-ROUUACIJSA-N 1 1 388.533 3.500 20 30 GGEDMO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000195731839 1433346026 /nfs/dbraw/zinc/34/60/26/1433346026.db2.gz NGCHWOORMULNPI-GOTSBHOMSA-N 1 1 388.515 3.060 20 30 GGEDMO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000195731842 1433346157 /nfs/dbraw/zinc/34/61/57/1433346157.db2.gz NGCHWOORMULNPI-DHIUTWEWSA-N 1 1 388.515 3.060 20 30 GGEDMO CCN1C[C@H](C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)Oc2ccccc21 ZINC000198392237 1433349748 /nfs/dbraw/zinc/34/97/48/1433349748.db2.gz ANOSMWYNOOCSMK-SFHVURJKSA-N 1 1 378.476 3.106 20 30 GGEDMO C=CCc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000198859045 1433351519 /nfs/dbraw/zinc/35/15/19/1433351519.db2.gz VTMMLZCSTXVZMA-HXUWFJFHSA-N 1 1 380.488 3.437 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC000229351044 1433371593 /nfs/dbraw/zinc/37/15/93/1433371593.db2.gz GHYZKCIWDWKHJK-IAGOWNOFSA-N 1 1 392.569 3.168 20 30 GGEDMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000229125769 1433371791 /nfs/dbraw/zinc/37/17/91/1433371791.db2.gz ISOVRUGUIQLSHH-AWWSKVOZSA-N 1 1 396.579 3.395 20 30 GGEDMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000229125769 1433371795 /nfs/dbraw/zinc/37/17/95/1433371795.db2.gz ISOVRUGUIQLSHH-AWWSKVOZSA-N 1 1 396.579 3.395 20 30 GGEDMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000229125769 1433371797 /nfs/dbraw/zinc/37/17/97/1433371797.db2.gz ISOVRUGUIQLSHH-AWWSKVOZSA-N 1 1 396.579 3.395 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000237486687 1433405862 /nfs/dbraw/zinc/40/58/62/1433405862.db2.gz INGSAXHWSOOCMO-GBXCKJPGSA-N 1 1 392.547 3.446 20 30 GGEDMO N#Cc1cccc(COc2cccc(CNCCC[NH+]3CCC(O)CC3)c2)c1 ZINC000238152075 1433444335 /nfs/dbraw/zinc/44/43/35/1433444335.db2.gz UIYQIFMCZMQHHN-UHFFFAOYSA-N 1 1 379.504 3.074 20 30 GGEDMO C=CCOc1ccc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000238140857 1433444351 /nfs/dbraw/zinc/44/43/51/1433444351.db2.gz CZQIENWFTHWGFN-HXUWFJFHSA-N 1 1 386.923 3.414 20 30 GGEDMO C=CCOc1ccc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000238140857 1433444352 /nfs/dbraw/zinc/44/43/52/1433444352.db2.gz CZQIENWFTHWGFN-HXUWFJFHSA-N 1 1 386.923 3.414 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245386811 1433456898 /nfs/dbraw/zinc/45/68/98/1433456898.db2.gz QUSQQZOYVLDRAL-DOTOQJQBSA-N 1 1 399.470 3.063 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245386811 1433456901 /nfs/dbraw/zinc/45/69/01/1433456901.db2.gz QUSQQZOYVLDRAL-DOTOQJQBSA-N 1 1 399.470 3.063 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245387060 1433457006 /nfs/dbraw/zinc/45/70/06/1433457006.db2.gz TWEZKMGXQBXGLO-IERDGZPVSA-N 1 1 399.470 3.110 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245387060 1433457007 /nfs/dbraw/zinc/45/70/07/1433457007.db2.gz TWEZKMGXQBXGLO-IERDGZPVSA-N 1 1 399.470 3.110 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245437564 1433467575 /nfs/dbraw/zinc/46/75/75/1433467575.db2.gz DWDXILPHXSGMJH-TZIWHRDSSA-N 1 1 382.552 3.171 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000245448592 1433469673 /nfs/dbraw/zinc/46/96/73/1433469673.db2.gz MZPPXYARLVFXKH-RBUKOAKNSA-N 1 1 376.504 3.482 20 30 GGEDMO C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1=S ZINC000245450268 1433469910 /nfs/dbraw/zinc/46/99/10/1433469910.db2.gz OLTWMHCFRQGTAS-MOPGFXCFSA-N 1 1 383.565 3.317 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000245453786 1433470528 /nfs/dbraw/zinc/47/05/28/1433470528.db2.gz GGOKLLFKYOXNOU-MOPGFXCFSA-N 1 1 385.508 3.054 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000245463503 1433473448 /nfs/dbraw/zinc/47/34/48/1433473448.db2.gz XLUMRPSGLUSIHX-UNMCSNQZSA-N 1 1 375.472 3.202 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@H]2[C@H](C)O)c1C#N ZINC000245494465 1433476882 /nfs/dbraw/zinc/47/68/82/1433476882.db2.gz NMVSOBHSYKHGHG-PXNSSMCTSA-N 1 1 380.492 3.140 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H](C)O)c1C#N ZINC000245494465 1433476891 /nfs/dbraw/zinc/47/68/91/1433476891.db2.gz NMVSOBHSYKHGHG-PXNSSMCTSA-N 1 1 380.492 3.140 20 30 GGEDMO CCc1nccn1[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514422 1433479936 /nfs/dbraw/zinc/47/99/36/1433479936.db2.gz BVDRCODPBPMAFL-UXHICEINSA-N 1 1 377.492 3.150 20 30 GGEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245533824 1433482039 /nfs/dbraw/zinc/48/20/39/1433482039.db2.gz VMYKELQVRKTRBB-ICSRJNTNSA-N 1 1 392.507 3.106 20 30 GGEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCC[C@H]1O ZINC000245546640 1433483295 /nfs/dbraw/zinc/48/32/95/1433483295.db2.gz MHFFWCYQDWXJKU-RHSMWYFYSA-N 1 1 375.538 3.310 20 30 GGEDMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCC[C@H]1O ZINC000245546640 1433483296 /nfs/dbraw/zinc/48/32/96/1433483296.db2.gz MHFFWCYQDWXJKU-RHSMWYFYSA-N 1 1 375.538 3.310 20 30 GGEDMO C[C@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000245562670 1433485410 /nfs/dbraw/zinc/48/54/10/1433485410.db2.gz OXRQLVCIQNQPBT-QREPNTDJSA-N 1 1 399.539 3.063 20 30 GGEDMO C[C@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000245562669 1433485416 /nfs/dbraw/zinc/48/54/16/1433485416.db2.gz OXRQLVCIQNQPBT-NXMBOHNASA-N 1 1 399.539 3.063 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245590487 1433488701 /nfs/dbraw/zinc/48/87/01/1433488701.db2.gz GDQFBHIMOWAYIL-QFBILLFUSA-N 1 1 399.560 3.379 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245590487 1433488702 /nfs/dbraw/zinc/48/87/02/1433488702.db2.gz GDQFBHIMOWAYIL-QFBILLFUSA-N 1 1 399.560 3.379 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245603539 1433489747 /nfs/dbraw/zinc/48/97/47/1433489747.db2.gz MXPKYARSJJZKDT-HLIPFELVSA-N 1 1 383.471 3.240 20 30 GGEDMO C=C(C)COCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245670781 1433497699 /nfs/dbraw/zinc/49/76/99/1433497699.db2.gz HVNUPPFXDUMGRQ-YJBOKZPZSA-N 1 1 383.895 3.364 20 30 GGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245684683 1433499001 /nfs/dbraw/zinc/49/90/01/1433499001.db2.gz POHXISBSNLTAJB-JKIFEVAISA-N 1 1 383.521 3.215 20 30 GGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245684683 1433499004 /nfs/dbraw/zinc/49/90/04/1433499004.db2.gz POHXISBSNLTAJB-JKIFEVAISA-N 1 1 383.521 3.215 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245689716 1433499927 /nfs/dbraw/zinc/49/99/27/1433499927.db2.gz QCTAKSBTELBYMQ-WSTZPKSXSA-N 1 1 395.507 3.110 20 30 GGEDMO C#CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000245696009 1433501581 /nfs/dbraw/zinc/50/15/81/1433501581.db2.gz KNXCLDPJJATGNN-DHIUTWEWSA-N 1 1 397.563 3.108 20 30 GGEDMO C=CCCOCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245720084 1433505332 /nfs/dbraw/zinc/50/53/32/1433505332.db2.gz QXQGNHXZFINZLF-MAUKXSAKSA-N 1 1 383.895 3.364 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000245740496 1433509355 /nfs/dbraw/zinc/50/93/55/1433509355.db2.gz XEKKVJHVFPXJIV-NQIIRXRSSA-N 1 1 379.508 3.330 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245742997 1433509845 /nfs/dbraw/zinc/50/98/45/1433509845.db2.gz MESJCGUKBCIKJA-RTBURBONSA-N 1 1 382.508 3.030 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245742997 1433509848 /nfs/dbraw/zinc/50/98/48/1433509848.db2.gz MESJCGUKBCIKJA-RTBURBONSA-N 1 1 382.508 3.030 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245742997 1433509851 /nfs/dbraw/zinc/50/98/51/1433509851.db2.gz MESJCGUKBCIKJA-RTBURBONSA-N 1 1 382.508 3.030 20 30 GGEDMO C=C(C)COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1OC ZINC000245769346 1433514655 /nfs/dbraw/zinc/51/46/55/1433514655.db2.gz RJGCDDSHPIKRHO-YLJYHZDGSA-N 1 1 381.538 3.438 20 30 GGEDMO C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1OC ZINC000245769346 1433514666 /nfs/dbraw/zinc/51/46/66/1433514666.db2.gz RJGCDDSHPIKRHO-YLJYHZDGSA-N 1 1 381.538 3.438 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245776272 1433515614 /nfs/dbraw/zinc/51/56/14/1433515614.db2.gz UAXFFGJEXXUUCB-SJLPKXTDSA-N 1 1 392.507 3.197 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245776272 1433515618 /nfs/dbraw/zinc/51/56/18/1433515618.db2.gz UAXFFGJEXXUUCB-SJLPKXTDSA-N 1 1 392.507 3.197 20 30 GGEDMO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000245852121 1433526773 /nfs/dbraw/zinc/52/67/73/1433526773.db2.gz GMEPGBPNEZLXHP-VQTJNVASSA-N 1 1 394.544 3.294 20 30 GGEDMO COCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000245859005 1433528603 /nfs/dbraw/zinc/52/86/03/1433528603.db2.gz KNTWLSCTZNSQPG-TZIWHRDSSA-N 1 1 387.524 3.066 20 30 GGEDMO COCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000245859005 1433528609 /nfs/dbraw/zinc/52/86/09/1433528609.db2.gz KNTWLSCTZNSQPG-TZIWHRDSSA-N 1 1 387.524 3.066 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](CN2C[C@@H](c3cccc(F)c3)CC2=O)CC1 ZINC000245871963 1433531069 /nfs/dbraw/zinc/53/10/69/1433531069.db2.gz WKYXURDZUBTBQW-FQEVSTJZSA-N 1 1 392.478 3.183 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CN2C[C@@H](c3cccc(F)c3)CC2=O)CC1 ZINC000245871963 1433531075 /nfs/dbraw/zinc/53/10/75/1433531075.db2.gz WKYXURDZUBTBQW-FQEVSTJZSA-N 1 1 392.478 3.183 20 30 GGEDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000245926317 1433545093 /nfs/dbraw/zinc/54/50/93/1433545093.db2.gz HQVWKRGMTXOHGR-KGVIQGDOSA-N 1 1 393.535 3.032 20 30 GGEDMO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(C#N)c1 ZINC000245957090 1433550769 /nfs/dbraw/zinc/55/07/69/1433550769.db2.gz XMPUGULESJRNIC-HTAPYJJXSA-N 1 1 376.504 3.106 20 30 GGEDMO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(C#N)c1 ZINC000245957090 1433550775 /nfs/dbraw/zinc/55/07/75/1433550775.db2.gz XMPUGULESJRNIC-HTAPYJJXSA-N 1 1 376.504 3.106 20 30 GGEDMO CCOCCCN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000245968284 1433551677 /nfs/dbraw/zinc/55/16/77/1433551677.db2.gz ZICYJFLLLSDEMP-GBXCKJPGSA-N 1 1 398.595 3.249 20 30 GGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245986472 1433553686 /nfs/dbraw/zinc/55/36/86/1433553686.db2.gz WGEDSWOQCHETSK-GJZGRUSLSA-N 1 1 397.548 3.124 20 30 GGEDMO Cc1cccc(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C#N ZINC000246080673 1433565325 /nfs/dbraw/zinc/56/53/25/1433565325.db2.gz GSGORUZRVQHOPQ-QZTJIDSGSA-N 1 1 375.538 3.142 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 ZINC000246095139 1433567916 /nfs/dbraw/zinc/56/79/16/1433567916.db2.gz HONIXJBPCCLYKD-IFMALSPDSA-N 1 1 392.455 3.127 20 30 GGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@@H](O)COc4ccc(C#N)cc4)C3)nc2c1 ZINC000246127580 1433572308 /nfs/dbraw/zinc/57/23/08/1433572308.db2.gz RCSSPABXGACLQU-RBUKOAKNSA-N 1 1 390.487 3.362 20 30 GGEDMO Cc1ccc2nc([C@H]3CCC[N@H+](C[C@@H](O)COc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000246127580 1433572310 /nfs/dbraw/zinc/57/23/10/1433572310.db2.gz RCSSPABXGACLQU-RBUKOAKNSA-N 1 1 390.487 3.362 20 30 GGEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@@H](O)COc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000246127580 1433572311 /nfs/dbraw/zinc/57/23/11/1433572311.db2.gz RCSSPABXGACLQU-RBUKOAKNSA-N 1 1 390.487 3.362 20 30 GGEDMO Cc1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1C#N ZINC000246224516 1433583803 /nfs/dbraw/zinc/58/38/03/1433583803.db2.gz VRDFDNSQOYMOMX-HNAYVOBHSA-N 1 1 389.546 3.290 20 30 GGEDMO CCOC[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000246224023 1433583946 /nfs/dbraw/zinc/58/39/46/1433583946.db2.gz PJYGNOYILYCQQW-GJZGRUSLSA-N 1 1 375.538 3.432 20 30 GGEDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000246230410 1433584514 /nfs/dbraw/zinc/58/45/14/1433584514.db2.gz MMRLVIMGDGTIKH-DLBZAZTESA-N 1 1 384.524 3.088 20 30 GGEDMO CCN(C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000246232204 1433584646 /nfs/dbraw/zinc/58/46/46/1433584646.db2.gz QIWRHSOAWASUNH-ZBFHGGJFSA-N 1 1 382.430 3.091 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246297340 1433591540 /nfs/dbraw/zinc/59/15/40/1433591540.db2.gz DWHLQVGHMHDRTF-PKOBYXMFSA-N 1 1 385.508 3.059 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246406970 1433608455 /nfs/dbraw/zinc/60/84/55/1433608455.db2.gz JUBYWCOZWRHLSL-QUCCMNQESA-N 1 1 394.544 3.179 20 30 GGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000246411400 1433608655 /nfs/dbraw/zinc/60/86/55/1433608655.db2.gz LAABHCBVUJYSST-MSOLQXFVSA-N 1 1 384.524 3.231 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](OCCCc4ccccc4)C3)C2=O)cc1 ZINC000246419361 1433609850 /nfs/dbraw/zinc/60/98/50/1433609850.db2.gz BSZIZTIZJYFDNX-PKTZIBPZSA-N 1 1 389.499 3.387 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](OCCCc4ccccc4)C3)C2=O)cc1 ZINC000246419361 1433609851 /nfs/dbraw/zinc/60/98/51/1433609851.db2.gz BSZIZTIZJYFDNX-PKTZIBPZSA-N 1 1 389.499 3.387 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](OCCCc4ccccc4)C3)C2=O)cc1 ZINC000246419349 1433609959 /nfs/dbraw/zinc/60/99/59/1433609959.db2.gz BSZIZTIZJYFDNX-GOTSBHOMSA-N 1 1 389.499 3.387 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](OCCCc4ccccc4)C3)C2=O)cc1 ZINC000246419349 1433609964 /nfs/dbraw/zinc/60/99/64/1433609964.db2.gz BSZIZTIZJYFDNX-GOTSBHOMSA-N 1 1 389.499 3.387 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)C1=O ZINC000246426384 1433610760 /nfs/dbraw/zinc/61/07/60/1433610760.db2.gz CJUIJGWHYGGGRG-CEXWTWQISA-N 1 1 399.491 3.452 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)C1=O ZINC000246426384 1433610762 /nfs/dbraw/zinc/61/07/62/1433610762.db2.gz CJUIJGWHYGGGRG-CEXWTWQISA-N 1 1 399.491 3.452 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)C1=O ZINC000246426394 1433611250 /nfs/dbraw/zinc/61/12/50/1433611250.db2.gz CJUIJGWHYGGGRG-FHWLQOOXSA-N 1 1 399.491 3.452 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)C1=O ZINC000246426394 1433611253 /nfs/dbraw/zinc/61/12/53/1433611253.db2.gz CJUIJGWHYGGGRG-FHWLQOOXSA-N 1 1 399.491 3.452 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)C1=O ZINC000246426405 1433611351 /nfs/dbraw/zinc/61/13/51/1433611351.db2.gz CJUIJGWHYGGGRG-GBESFXJTSA-N 1 1 399.491 3.452 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)C1=O ZINC000246426405 1433611356 /nfs/dbraw/zinc/61/13/56/1433611356.db2.gz CJUIJGWHYGGGRG-GBESFXJTSA-N 1 1 399.491 3.452 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000246443508 1433613647 /nfs/dbraw/zinc/61/36/47/1433613647.db2.gz DTJNGLLTSMBNMK-ZWOKBUDYSA-N 1 1 377.554 3.471 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246493265 1433620702 /nfs/dbraw/zinc/62/07/02/1433620702.db2.gz PMDKGZIWGQBFLR-NUJGCVRESA-N 1 1 388.537 3.265 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246545927 1433628915 /nfs/dbraw/zinc/62/89/15/1433628915.db2.gz KDWJWLBPWRSIIU-KGVIQGDOSA-N 1 1 398.526 3.410 20 30 GGEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000246545477 1433628988 /nfs/dbraw/zinc/62/89/88/1433628988.db2.gz SSXBNYAXISWYLF-FXAWDEMLSA-N 1 1 379.460 3.287 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246545919 1433629123 /nfs/dbraw/zinc/62/91/23/1433629123.db2.gz KDWJWLBPWRSIIU-HMFYCAOWSA-N 1 1 398.526 3.410 20 30 GGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246585809 1433635266 /nfs/dbraw/zinc/63/52/66/1433635266.db2.gz SNBNVDDWBUUILR-VCOUNFBDSA-N 1 1 381.520 3.437 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000246722681 1433655546 /nfs/dbraw/zinc/65/55/46/1433655546.db2.gz MACITSQIJUTDNO-SJORKVTESA-N 1 1 390.553 3.439 20 30 GGEDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]1C ZINC000246898562 1433684492 /nfs/dbraw/zinc/68/44/92/1433684492.db2.gz FMZOCJCWVVPOAV-SQNIBIBYSA-N 1 1 398.551 3.476 20 30 GGEDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@@H]1C ZINC000246898542 1433684631 /nfs/dbraw/zinc/68/46/31/1433684631.db2.gz FMZOCJCWVVPOAV-KZNAEPCWSA-N 1 1 398.551 3.476 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000247242336 1433695397 /nfs/dbraw/zinc/69/53/97/1433695397.db2.gz TUNQWGGQSJLBJX-FGTMMUONSA-N 1 1 377.554 3.424 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000247446385 1433724116 /nfs/dbraw/zinc/72/41/16/1433724116.db2.gz YFHWUKGEWFCNMJ-CABCVRRESA-N 1 1 385.899 3.227 20 30 GGEDMO C=CCOc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000247512935 1433731562 /nfs/dbraw/zinc/73/15/62/1433731562.db2.gz NHJMEQVVWLLACZ-UGKGYDQZSA-N 1 1 395.503 3.256 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000247640577 1433742082 /nfs/dbraw/zinc/74/20/82/1433742082.db2.gz HARSLMQLZUSBAO-XZOQPEGZSA-N 1 1 394.563 3.247 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000247640577 1433742100 /nfs/dbraw/zinc/74/21/00/1433742100.db2.gz HARSLMQLZUSBAO-XZOQPEGZSA-N 1 1 394.563 3.247 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@H+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000247640577 1433742110 /nfs/dbraw/zinc/74/21/10/1433742110.db2.gz HARSLMQLZUSBAO-XZOQPEGZSA-N 1 1 394.563 3.247 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)cc1 ZINC000247640570 1433742210 /nfs/dbraw/zinc/74/22/10/1433742210.db2.gz HARSLMQLZUSBAO-DHIUTWEWSA-N 1 1 394.563 3.247 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)cc1 ZINC000247640570 1433742217 /nfs/dbraw/zinc/74/22/17/1433742217.db2.gz HARSLMQLZUSBAO-DHIUTWEWSA-N 1 1 394.563 3.247 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@H+](CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)cc1 ZINC000247640570 1433742222 /nfs/dbraw/zinc/74/22/22/1433742222.db2.gz HARSLMQLZUSBAO-DHIUTWEWSA-N 1 1 394.563 3.247 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000247683579 1433746121 /nfs/dbraw/zinc/74/61/21/1433746121.db2.gz RXPCTLZJGITZFL-SFHLNBCPSA-N 1 1 384.476 3.259 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000248033364 1433764634 /nfs/dbraw/zinc/76/46/34/1433764634.db2.gz QVERMRGXEDIJFY-HKUYNNGSSA-N 1 1 379.460 3.094 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000248033364 1433764639 /nfs/dbraw/zinc/76/46/39/1433764639.db2.gz QVERMRGXEDIJFY-HKUYNNGSSA-N 1 1 379.460 3.094 20 30 GGEDMO N#CC1(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000248173797 1433777347 /nfs/dbraw/zinc/77/73/47/1433777347.db2.gz VGKJYJZHFCLVMG-FGZHOGPDSA-N 1 1 394.563 3.316 20 30 GGEDMO C[C@H](NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000248376434 1433789363 /nfs/dbraw/zinc/78/93/63/1433789363.db2.gz CNXVGMXBCNDQOQ-KRWDZBQOSA-N 1 1 382.533 3.005 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000248390056 1433793822 /nfs/dbraw/zinc/79/38/22/1433793822.db2.gz BMXXVUOCPKLVNL-CYGODWOOSA-N 1 1 376.504 3.243 20 30 GGEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000248394021 1433794779 /nfs/dbraw/zinc/79/47/79/1433794779.db2.gz HFQLGAGFPMXNDI-SMKKKYSBSA-N 1 1 393.531 3.044 20 30 GGEDMO N#CCC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248439354 1433802819 /nfs/dbraw/zinc/80/28/19/1433802819.db2.gz IOAGDPREAIZFHV-YADHBBJMSA-N 1 1 392.503 3.097 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)[C@@H](C)C1 ZINC000248521399 1433806658 /nfs/dbraw/zinc/80/66/58/1433806658.db2.gz BMELENCQHIHDSY-KSZLIROESA-N 1 1 388.512 3.236 20 30 GGEDMO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248557207 1433808214 /nfs/dbraw/zinc/80/82/14/1433808214.db2.gz IKXPFPREJJVTAA-JLMWRMLUSA-N 1 1 380.536 3.296 20 30 GGEDMO C[C@H]([NH2+][C@H](C[S@@](C)=O)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000248600043 1433810590 /nfs/dbraw/zinc/81/05/90/1433810590.db2.gz UVKVBXLPEZMOMD-QYCPYILXSA-N 1 1 389.565 3.015 20 30 GGEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000248612476 1433811426 /nfs/dbraw/zinc/81/14/26/1433811426.db2.gz GZIJQVHOEIIOTR-RTBURBONSA-N 1 1 385.508 3.375 20 30 GGEDMO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000248612476 1433811428 /nfs/dbraw/zinc/81/14/28/1433811428.db2.gz GZIJQVHOEIIOTR-RTBURBONSA-N 1 1 385.508 3.375 20 30 GGEDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248770090 1433821461 /nfs/dbraw/zinc/82/14/61/1433821461.db2.gz SLHGWRRMQUJTPV-AVRDEDQJSA-N 1 1 377.488 3.327 20 30 GGEDMO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000249046442 1433833024 /nfs/dbraw/zinc/83/30/24/1433833024.db2.gz FEAPFMJHZAPRAZ-CQSZACIVSA-N 1 1 375.398 3.386 20 30 GGEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000249046442 1433833026 /nfs/dbraw/zinc/83/30/26/1433833026.db2.gz FEAPFMJHZAPRAZ-CQSZACIVSA-N 1 1 375.398 3.386 20 30 GGEDMO C=C(C)[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000249074341 1433834018 /nfs/dbraw/zinc/83/40/18/1433834018.db2.gz MRZGAZJFEKUCHW-KDOFPFPSSA-N 1 1 381.467 3.069 20 30 GGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000249396122 1433842692 /nfs/dbraw/zinc/84/26/92/1433842692.db2.gz SXYXZYXRKUEJRJ-DNVCBOLYSA-N 1 1 387.480 3.201 20 30 GGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000249396122 1433842693 /nfs/dbraw/zinc/84/26/93/1433842693.db2.gz SXYXZYXRKUEJRJ-DNVCBOLYSA-N 1 1 387.480 3.201 20 30 GGEDMO C=CCC[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000250112829 1433854399 /nfs/dbraw/zinc/85/43/99/1433854399.db2.gz TYDRBKCICZOZEN-ZRBLBEILSA-N 1 1 378.516 3.488 20 30 GGEDMO CCCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000250121297 1433854536 /nfs/dbraw/zinc/85/45/36/1433854536.db2.gz WIUGVBGLHYXYNL-GMAHTHKFSA-N 1 1 382.552 3.171 20 30 GGEDMO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000250121297 1433854537 /nfs/dbraw/zinc/85/45/37/1433854537.db2.gz WIUGVBGLHYXYNL-GMAHTHKFSA-N 1 1 382.552 3.171 20 30 GGEDMO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000250121297 1433854538 /nfs/dbraw/zinc/85/45/38/1433854538.db2.gz WIUGVBGLHYXYNL-GMAHTHKFSA-N 1 1 382.552 3.171 20 30 GGEDMO CCCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000250121299 1433854605 /nfs/dbraw/zinc/85/46/05/1433854605.db2.gz WIUGVBGLHYXYNL-JTHBVZDNSA-N 1 1 382.552 3.171 20 30 GGEDMO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000250121299 1433854607 /nfs/dbraw/zinc/85/46/07/1433854607.db2.gz WIUGVBGLHYXYNL-JTHBVZDNSA-N 1 1 382.552 3.171 20 30 GGEDMO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000250121299 1433854608 /nfs/dbraw/zinc/85/46/08/1433854608.db2.gz WIUGVBGLHYXYNL-JTHBVZDNSA-N 1 1 382.552 3.171 20 30 GGEDMO C[C@H](C#N)Oc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000250118808 1433854644 /nfs/dbraw/zinc/85/46/44/1433854644.db2.gz UWDQKHUBQSNZSE-XXBNENTESA-N 1 1 379.504 3.046 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000250118808 1433854645 /nfs/dbraw/zinc/85/46/45/1433854645.db2.gz UWDQKHUBQSNZSE-XXBNENTESA-N 1 1 379.504 3.046 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000250118808 1433854648 /nfs/dbraw/zinc/85/46/48/1433854648.db2.gz UWDQKHUBQSNZSE-XXBNENTESA-N 1 1 379.504 3.046 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000250118805 1433854660 /nfs/dbraw/zinc/85/46/60/1433854660.db2.gz UWDQKHUBQSNZSE-CVDCTZTESA-N 1 1 379.504 3.046 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000250118805 1433854661 /nfs/dbraw/zinc/85/46/61/1433854661.db2.gz UWDQKHUBQSNZSE-CVDCTZTESA-N 1 1 379.504 3.046 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000250118805 1433854662 /nfs/dbraw/zinc/85/46/62/1433854662.db2.gz UWDQKHUBQSNZSE-CVDCTZTESA-N 1 1 379.504 3.046 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000250200356 1433855015 /nfs/dbraw/zinc/85/50/15/1433855015.db2.gz CFDJIOOVMDFEIH-VWNXMTODSA-N 1 1 394.515 3.462 20 30 GGEDMO CC[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[N@H+]1C[C@H](C)O ZINC000252466330 1433863304 /nfs/dbraw/zinc/86/33/04/1433863304.db2.gz YFZTXUYGIRPKEJ-GXTWGEPZSA-N 1 1 376.863 3.180 20 30 GGEDMO CC[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC[N@H+]1C[C@H](C)O ZINC000252466331 1433863346 /nfs/dbraw/zinc/86/33/46/1433863346.db2.gz YFZTXUYGIRPKEJ-JSGCOSHPSA-N 1 1 376.863 3.180 20 30 GGEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000253542690 1433868513 /nfs/dbraw/zinc/86/85/13/1433868513.db2.gz JBZHPGQAJBFCPO-APWZRJJASA-N 1 1 398.551 3.321 20 30 GGEDMO C[C@H](O[NH+]=Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000255712222 1433888302 /nfs/dbraw/zinc/88/83/02/1433888302.db2.gz WJDDLXQURHQKOY-AWEZNQCLSA-N 1 1 389.402 3.179 20 30 GGEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000255958807 1433892870 /nfs/dbraw/zinc/89/28/70/1433892870.db2.gz QMLATNNJCBGEHK-HOTGVXAUSA-N 1 1 381.442 3.477 20 30 GGEDMO COc1ccc(NC(=[NH2+])NCC2(N3CCSCC3)CCCC2)cc1Cl ZINC000261990926 1433919718 /nfs/dbraw/zinc/91/97/18/1433919718.db2.gz LYDVWADCHVMQTR-UHFFFAOYSA-N 1 1 382.961 3.437 20 30 GGEDMO CC[NH+]=C(NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262336889 1433935686 /nfs/dbraw/zinc/93/56/86/1433935686.db2.gz BZCJXUQLWFPOQP-YTFSRNRJSA-N 1 1 396.579 3.374 20 30 GGEDMO C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262774785 1433955302 /nfs/dbraw/zinc/95/53/02/1433955302.db2.gz KMSCVGOGVBVYAY-UYAOXDASSA-N 1 1 390.535 3.143 20 30 GGEDMO C[NH+]=C(NCC1(c2cccc(OC)c2)CCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262783458 1433956037 /nfs/dbraw/zinc/95/60/37/1433956037.db2.gz LYNVNFHAEPWIAN-FQEVSTJZSA-N 1 1 382.552 3.029 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1C ZINC000263663597 1434017169 /nfs/dbraw/zinc/01/71/69/1434017169.db2.gz BFXMBUBLYFXZHH-FQEVSTJZSA-N 1 1 398.551 3.034 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1C ZINC000263663597 1434017171 /nfs/dbraw/zinc/01/71/71/1434017171.db2.gz BFXMBUBLYFXZHH-FQEVSTJZSA-N 1 1 398.551 3.034 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000263698496 1434022461 /nfs/dbraw/zinc/02/24/61/1434022461.db2.gz IEEWLTDCYUDOLT-QZTJIDSGSA-N 1 1 391.581 3.280 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000263766970 1434031196 /nfs/dbraw/zinc/03/11/96/1434031196.db2.gz SBTUZKIKYABJDH-FQEVSTJZSA-N 1 1 398.551 3.178 20 30 GGEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000263766970 1434031199 /nfs/dbraw/zinc/03/11/99/1434031199.db2.gz SBTUZKIKYABJDH-FQEVSTJZSA-N 1 1 398.551 3.178 20 30 GGEDMO C[C@@H](NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000263797778 1434035301 /nfs/dbraw/zinc/03/53/01/1434035301.db2.gz ZUDPUZJMYAHLOC-FGTMMUONSA-N 1 1 384.524 3.150 20 30 GGEDMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCN(CC#N)CC2)n1 ZINC000264078675 1434069906 /nfs/dbraw/zinc/06/99/06/1434069906.db2.gz HMEGECSFLFGWID-UHFFFAOYSA-N 1 1 392.532 3.065 20 30 GGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264186280 1434079472 /nfs/dbraw/zinc/07/94/72/1434079472.db2.gz AFRDENORZAMAAA-RXVVDRJESA-N 1 1 377.488 3.006 20 30 GGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264186270 1434079500 /nfs/dbraw/zinc/07/95/00/1434079500.db2.gz AFRDENORZAMAAA-NQIIRXRSSA-N 1 1 377.488 3.006 20 30 GGEDMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000264201025 1434081447 /nfs/dbraw/zinc/08/14/47/1434081447.db2.gz IZRLWBARNNZVAN-INIZCTEOSA-N 1 1 394.475 3.368 20 30 GGEDMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000264201025 1434081449 /nfs/dbraw/zinc/08/14/49/1434081449.db2.gz IZRLWBARNNZVAN-INIZCTEOSA-N 1 1 394.475 3.368 20 30 GGEDMO CC(C)c1nc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)no1 ZINC000264242688 1434086606 /nfs/dbraw/zinc/08/66/06/1434086606.db2.gz VKVUGTKAIHLKQN-GOSISDBHSA-N 1 1 379.464 3.050 20 30 GGEDMO C[C@@H](c1cccc(NCC(=O)Nc2ccc(CC#N)cc2)c1)[NH+]1CCOCC1 ZINC000264362182 1434102359 /nfs/dbraw/zinc/10/23/59/1434102359.db2.gz IYUGDGHMJBRLMT-KRWDZBQOSA-N 1 1 378.476 3.196 20 30 GGEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000264396812 1434107190 /nfs/dbraw/zinc/10/71/90/1434107190.db2.gz YJMKWQCZKQMRPH-KRWDZBQOSA-N 1 1 393.491 3.108 20 30 GGEDMO C[C@H](c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1)[NH+]1CCOCC1 ZINC000264460240 1434115793 /nfs/dbraw/zinc/11/57/93/1434115793.db2.gz PNCOLEYWTWSLIU-SJORKVTESA-N 1 1 379.460 3.357 20 30 GGEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000264528619 1434124331 /nfs/dbraw/zinc/12/43/31/1434124331.db2.gz JZGJGBIOSYYICW-QFIPXVFZSA-N 1 1 397.906 3.273 20 30 GGEDMO N#CCOc1ccc(CN2CCC[N@@H+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000264590588 1434131799 /nfs/dbraw/zinc/13/17/99/1434131799.db2.gz YYSHPXQSXFHVMH-UHFFFAOYSA-N 1 1 390.487 3.199 20 30 GGEDMO N#Cc1ccc(OCc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000264614810 1434135083 /nfs/dbraw/zinc/13/50/83/1434135083.db2.gz PDJHCAXKCSNNSD-UHFFFAOYSA-N 1 1 376.416 3.019 20 30 GGEDMO N#Cc1ccccc1OCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000264619989 1434135702 /nfs/dbraw/zinc/13/57/02/1434135702.db2.gz QJVDMQIEKHXCDX-UHFFFAOYSA-N 1 1 376.416 3.019 20 30 GGEDMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000264932890 1434165649 /nfs/dbraw/zinc/16/56/49/1434165649.db2.gz BREGEQVGXSRLEH-ZDUSSCGKSA-N 1 1 385.283 3.118 20 30 GGEDMO COC(=O)CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000265142197 1434190148 /nfs/dbraw/zinc/19/01/48/1434190148.db2.gz MCZXTFOUYKUTHZ-OAHLLOKOSA-N 1 1 377.510 3.293 20 30 GGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265170752 1434193494 /nfs/dbraw/zinc/19/34/94/1434193494.db2.gz BJGJGRMLIRMLGA-SZVBFZGTSA-N 1 1 386.455 3.390 20 30 GGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265170752 1434193500 /nfs/dbraw/zinc/19/35/00/1434193500.db2.gz BJGJGRMLIRMLGA-SZVBFZGTSA-N 1 1 386.455 3.390 20 30 GGEDMO C=CCCCN(C)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000265520038 1434241908 /nfs/dbraw/zinc/24/19/08/1434241908.db2.gz HTHRRZPVDPIFKM-UHFFFAOYSA-N 1 1 389.540 3.284 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC=C(c4c[nH]c5ncccc45)CC3)C2=O)cc1 ZINC000265674402 1434255497 /nfs/dbraw/zinc/25/54/97/1434255497.db2.gz YPMNAGVTARSXHW-OAQYLSRUSA-N 1 1 383.455 3.329 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC=C(c4c[nH]c5ncccc45)CC3)C2=O)cc1 ZINC000265674402 1434255499 /nfs/dbraw/zinc/25/54/99/1434255499.db2.gz YPMNAGVTARSXHW-OAQYLSRUSA-N 1 1 383.455 3.329 20 30 GGEDMO COC[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000265779517 1434264690 /nfs/dbraw/zinc/26/46/90/1434264690.db2.gz KBIHAXVUZLYORL-MRXNPFEDSA-N 1 1 384.455 3.012 20 30 GGEDMO COC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000265779517 1434264691 /nfs/dbraw/zinc/26/46/91/1434264691.db2.gz KBIHAXVUZLYORL-MRXNPFEDSA-N 1 1 384.455 3.012 20 30 GGEDMO N#Cc1nnc2ccccc2c1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000265830723 1434269630 /nfs/dbraw/zinc/26/96/30/1434269630.db2.gz ZATATYBNXYQTNI-UHFFFAOYSA-N 1 1 386.459 3.016 20 30 GGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265841827 1434271519 /nfs/dbraw/zinc/27/15/19/1434271519.db2.gz NZUOSVKQOOQGAW-DOTOQJQBSA-N 1 1 386.496 3.122 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000265866745 1434274971 /nfs/dbraw/zinc/27/49/71/1434274971.db2.gz UIVKHBIIYUYCFZ-UHFFFAOYSA-N 1 1 393.487 3.182 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCCOC(C)C)c1C#N ZINC000265874443 1434276313 /nfs/dbraw/zinc/27/63/13/1434276313.db2.gz NENZYSLBGYNDRB-UHFFFAOYSA-N 1 1 386.496 3.303 20 30 GGEDMO N#C[C@H](C(=O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000265982388 1434291978 /nfs/dbraw/zinc/29/19/78/1434291978.db2.gz FWWAISUZOVITED-PKOBYXMFSA-N 1 1 386.455 3.076 20 30 GGEDMO N#C[C@H](C(=O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000265982388 1434291979 /nfs/dbraw/zinc/29/19/79/1434291979.db2.gz FWWAISUZOVITED-PKOBYXMFSA-N 1 1 386.455 3.076 20 30 GGEDMO Cc1nc(C)c(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000266531144 1434346989 /nfs/dbraw/zinc/34/69/89/1434346989.db2.gz JEYWMUDCLNKGKS-UHFFFAOYSA-N 1 1 383.521 3.049 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC3(C2)CCOCC3)c1C#N ZINC000266634211 1434356874 /nfs/dbraw/zinc/35/68/74/1434356874.db2.gz QVSPAPKJJVGCJX-UHFFFAOYSA-N 1 1 396.491 3.059 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000266725496 1434367939 /nfs/dbraw/zinc/36/79/39/1434367939.db2.gz IWAKPHIRAHDQHJ-RHSMWYFYSA-N 1 1 397.479 3.343 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000266725496 1434367940 /nfs/dbraw/zinc/36/79/40/1434367940.db2.gz IWAKPHIRAHDQHJ-RHSMWYFYSA-N 1 1 397.479 3.343 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC(C(=O)NC4CCCCC4)CC3)o2)cc1 ZINC000266746521 1434370618 /nfs/dbraw/zinc/37/06/18/1434370618.db2.gz OLYBABOVCMBKBT-UHFFFAOYSA-N 1 1 393.491 3.269 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](c3ncc[nH]3)C1)CCCC2 ZINC000266970351 1434394199 /nfs/dbraw/zinc/39/41/99/1434394199.db2.gz ZWBBKNHHWVYGOX-CQSZACIVSA-N 1 1 383.521 3.430 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)NC1CC[NH+](CCOC(C)C)CC1 ZINC000267067356 1434404639 /nfs/dbraw/zinc/40/46/39/1434404639.db2.gz RPWTUHPVJAEEMA-GOSISDBHSA-N 1 1 393.597 3.130 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(OCC#N)cc1 ZINC000267310992 1434421739 /nfs/dbraw/zinc/42/17/39/1434421739.db2.gz IEPYKJPIXVQXPO-GCJKJVERSA-N 1 1 392.503 3.299 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1Cl ZINC000267442305 1434433669 /nfs/dbraw/zinc/43/36/69/1434433669.db2.gz PJDCUGMYHYGYPP-MRXNPFEDSA-N 1 1 385.899 3.498 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1Cl ZINC000267442305 1434433670 /nfs/dbraw/zinc/43/36/70/1434433670.db2.gz PJDCUGMYHYGYPP-MRXNPFEDSA-N 1 1 385.899 3.498 20 30 GGEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000267548885 1434445050 /nfs/dbraw/zinc/44/50/50/1434445050.db2.gz OXHGLJPAUAEGGR-LAUBAEHRSA-N 1 1 376.460 3.022 20 30 GGEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000267548885 1434445054 /nfs/dbraw/zinc/44/50/54/1434445054.db2.gz OXHGLJPAUAEGGR-LAUBAEHRSA-N 1 1 376.460 3.022 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3ccccc3[C@@H]1CO)CCC2 ZINC000268086356 1434493655 /nfs/dbraw/zinc/49/36/55/1434493655.db2.gz HSVMOJVYAGNWPW-SFHVURJKSA-N 1 1 381.501 3.029 20 30 GGEDMO COCCOCC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000268378358 1434517004 /nfs/dbraw/zinc/51/70/04/1434517004.db2.gz XRQUZNDQWUHCGJ-UHFFFAOYSA-N 1 1 381.476 3.052 20 30 GGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269098269 1434591906 /nfs/dbraw/zinc/59/19/06/1434591906.db2.gz NBKJCCWJJUJWLI-UHFFFAOYSA-N 1 1 398.894 3.307 20 30 GGEDMO C[N@H+](CCOc1cccc(CNCc2ccc(C#N)cc2F)c1)C1CCOCC1 ZINC000269431602 1434644551 /nfs/dbraw/zinc/64/45/51/1434644551.db2.gz PWENPZLJWIBEGO-UHFFFAOYSA-N 1 1 397.494 3.477 20 30 GGEDMO C[N@@H+](CCOc1cccc(CNCc2ccc(C#N)cc2F)c1)C1CCOCC1 ZINC000269431602 1434644553 /nfs/dbraw/zinc/64/45/53/1434644553.db2.gz PWENPZLJWIBEGO-UHFFFAOYSA-N 1 1 397.494 3.477 20 30 GGEDMO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000269676348 1434668477 /nfs/dbraw/zinc/66/84/77/1434668477.db2.gz SHGXNIYNVBHGEQ-GJZGRUSLSA-N 1 1 375.494 3.047 20 30 GGEDMO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000269676348 1434668478 /nfs/dbraw/zinc/66/84/78/1434668478.db2.gz SHGXNIYNVBHGEQ-GJZGRUSLSA-N 1 1 375.494 3.047 20 30 GGEDMO CCOCCO[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000269719441 1434672019 /nfs/dbraw/zinc/67/20/19/1434672019.db2.gz UYQLBVPSEFFPBV-SFHVURJKSA-N 1 1 393.915 3.023 20 30 GGEDMO CCOCCO[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000269719441 1434672020 /nfs/dbraw/zinc/67/20/20/1434672020.db2.gz UYQLBVPSEFFPBV-SFHVURJKSA-N 1 1 393.915 3.023 20 30 GGEDMO C#CC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2)c1ccccc1 ZINC000270305237 1434721507 /nfs/dbraw/zinc/72/15/07/1434721507.db2.gz XSTCPZVOKQLZER-FQEVSTJZSA-N 1 1 375.472 3.232 20 30 GGEDMO C#CC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2)c1ccccc1 ZINC000270305237 1434721509 /nfs/dbraw/zinc/72/15/09/1434721509.db2.gz XSTCPZVOKQLZER-FQEVSTJZSA-N 1 1 375.472 3.232 20 30 GGEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000270352540 1434725559 /nfs/dbraw/zinc/72/55/59/1434725559.db2.gz QFAXQWHRQJECSI-INIZCTEOSA-N 1 1 379.489 3.381 20 30 GGEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000270352540 1434725562 /nfs/dbraw/zinc/72/55/62/1434725562.db2.gz QFAXQWHRQJECSI-INIZCTEOSA-N 1 1 379.489 3.381 20 30 GGEDMO C#CC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000270390840 1434729347 /nfs/dbraw/zinc/72/93/47/1434729347.db2.gz HYQBNHSCNLYBMQ-JOCHJYFZSA-N 1 1 377.488 3.083 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)cc1 ZINC000270463118 1434735576 /nfs/dbraw/zinc/73/55/76/1434735576.db2.gz DPCRFLNLSBDECR-QHCPKHFHSA-N 1 1 389.499 3.410 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)cc1 ZINC000270463118 1434735577 /nfs/dbraw/zinc/73/55/77/1434735577.db2.gz DPCRFLNLSBDECR-QHCPKHFHSA-N 1 1 389.499 3.410 20 30 GGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000270972935 1434792124 /nfs/dbraw/zinc/79/21/24/1434792124.db2.gz ROWSAXXGGTXCDX-UHFFFAOYSA-N 1 1 389.565 3.247 20 30 GGEDMO CCCC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000270992061 1434793795 /nfs/dbraw/zinc/79/37/95/1434793795.db2.gz HZEXRCDKZAWXAE-SFHVURJKSA-N 1 1 394.537 3.167 20 30 GGEDMO CCCC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000270992061 1434793799 /nfs/dbraw/zinc/79/37/99/1434793799.db2.gz HZEXRCDKZAWXAE-SFHVURJKSA-N 1 1 394.537 3.167 20 30 GGEDMO C=CCN(C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1CC1 ZINC000271573954 1434836226 /nfs/dbraw/zinc/83/62/26/1434836226.db2.gz QFZDYGWRHRUAQF-UHFFFAOYSA-N 1 1 387.524 3.036 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(C#N)cc1 ZINC000271653550 1434842075 /nfs/dbraw/zinc/84/20/75/1434842075.db2.gz JOLFHEURWHNHHJ-QGZVFWFLSA-N 1 1 394.544 3.396 20 30 GGEDMO COC1(C)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000271684692 1434844036 /nfs/dbraw/zinc/84/40/36/1434844036.db2.gz DEXQONOPTYGEMZ-UHFFFAOYSA-N 1 1 384.480 3.057 20 30 GGEDMO C#CC[C@H]([NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)c1ccccc1 ZINC000271755808 1434848317 /nfs/dbraw/zinc/84/83/17/1434848317.db2.gz YRNNFOYNQPPUJX-AWEZNQCLSA-N 1 1 381.457 3.346 20 30 GGEDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917372 1434859119 /nfs/dbraw/zinc/85/91/19/1434859119.db2.gz ZGQWVRSROSMQKB-QTGUNEKASA-N 1 1 379.504 3.123 20 30 GGEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917372 1434859120 /nfs/dbraw/zinc/85/91/20/1434859120.db2.gz ZGQWVRSROSMQKB-QTGUNEKASA-N 1 1 379.504 3.123 20 30 GGEDMO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938913 1434860566 /nfs/dbraw/zinc/86/05/66/1434860566.db2.gz KZNJNHOTDIINLR-IIBYNOLFSA-N 1 1 394.494 3.245 20 30 GGEDMO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938913 1434860568 /nfs/dbraw/zinc/86/05/68/1434860568.db2.gz KZNJNHOTDIINLR-IIBYNOLFSA-N 1 1 394.494 3.245 20 30 GGEDMO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938905 1434860633 /nfs/dbraw/zinc/86/06/33/1434860633.db2.gz KZNJNHOTDIINLR-HRAATJIYSA-N 1 1 394.494 3.245 20 30 GGEDMO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938905 1434860634 /nfs/dbraw/zinc/86/06/34/1434860634.db2.gz KZNJNHOTDIINLR-HRAATJIYSA-N 1 1 394.494 3.245 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272059976 1434869409 /nfs/dbraw/zinc/86/94/09/1434869409.db2.gz IRQUYGCYODSMQA-FQEVSTJZSA-N 1 1 394.523 3.481 20 30 GGEDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1CCC#N ZINC000272081308 1434870830 /nfs/dbraw/zinc/87/08/30/1434870830.db2.gz LQSJZONZMDNQII-VQIMIIECSA-N 1 1 380.496 3.137 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272090714 1434871665 /nfs/dbraw/zinc/87/16/65/1434871665.db2.gz NBPIKMOLZINHIQ-IBGZPJMESA-N 1 1 395.511 3.019 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C)c2[nH+]cccc21 ZINC000272289203 1434884602 /nfs/dbraw/zinc/88/46/02/1434884602.db2.gz ROPMRANGOYLVHN-OAHLLOKOSA-N 1 1 381.505 3.371 20 30 GGEDMO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000272309331 1434886269 /nfs/dbraw/zinc/88/62/69/1434886269.db2.gz FSASBCHCXXRXPI-UYAOXDASSA-N 1 1 377.529 3.157 20 30 GGEDMO C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272471212 1434898736 /nfs/dbraw/zinc/89/87/36/1434898736.db2.gz TUIUMVBYXWMWGW-WIYYLYMNSA-N 1 1 392.503 3.299 20 30 GGEDMO COCC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000272613719 1434915099 /nfs/dbraw/zinc/91/50/99/1434915099.db2.gz VXKRDJYLJQVNJL-HXUWFJFHSA-N 1 1 396.491 3.146 20 30 GGEDMO Cc1cc(C2CC[NH+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)CC2)n[nH]1 ZINC000272947879 1434943289 /nfs/dbraw/zinc/94/32/89/1434943289.db2.gz MAHGQVDJYPNTJM-UHFFFAOYSA-N 1 1 379.508 3.461 20 30 GGEDMO Cc1cc(C2CC[NH+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)CC2)[nH]n1 ZINC000272947879 1434943291 /nfs/dbraw/zinc/94/32/91/1434943291.db2.gz MAHGQVDJYPNTJM-UHFFFAOYSA-N 1 1 379.508 3.461 20 30 GGEDMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000272983353 1434946610 /nfs/dbraw/zinc/94/66/10/1434946610.db2.gz LJTCPHVPXCLASO-VGSWGCGISA-N 1 1 392.503 3.075 20 30 GGEDMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000272983349 1434946621 /nfs/dbraw/zinc/94/66/21/1434946621.db2.gz LJTCPHVPXCLASO-VGOFRKELSA-N 1 1 392.503 3.075 20 30 GGEDMO C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000272983343 1434946624 /nfs/dbraw/zinc/94/66/24/1434946624.db2.gz LJTCPHVPXCLASO-HTAPYJJXSA-N 1 1 392.503 3.075 20 30 GGEDMO CC(C)[C@@H]1C[C@H](CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000273040042 1434953803 /nfs/dbraw/zinc/95/38/03/1434953803.db2.gz ZIUUJJRTJXTKCF-YADHBBJMSA-N 1 1 383.536 3.434 20 30 GGEDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1C#N ZINC000273060107 1434956308 /nfs/dbraw/zinc/95/63/08/1434956308.db2.gz ZXOCFXFYFBTCFF-MSOLQXFVSA-N 1 1 398.507 3.361 20 30 GGEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273392089 1434985766 /nfs/dbraw/zinc/98/57/66/1434985766.db2.gz FJMYIFGICYZQOK-RTWAWAEBSA-N 1 1 381.451 3.166 20 30 GGEDMO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000273422179 1434987841 /nfs/dbraw/zinc/98/78/41/1434987841.db2.gz JXKLHSIOCWMGAL-SFHVURJKSA-N 1 1 394.494 3.175 20 30 GGEDMO Cc1cc(C#N)ccc1-c1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000273888389 1435025487 /nfs/dbraw/zinc/02/54/87/1435025487.db2.gz OGAQSYWVXAAYFA-LJQANCHMSA-N 1 1 387.443 3.033 20 30 GGEDMO C[N@H+]1CCCN(c2ccc(-c3noc(/C=C/c4ccc(C#N)cc4)n3)cn2)CC1 ZINC000274097343 1435043494 /nfs/dbraw/zinc/04/34/94/1435043494.db2.gz YWVSWDGIIJIHJU-JXMROGBWSA-N 1 1 386.459 3.316 20 30 GGEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000274200716 1435050835 /nfs/dbraw/zinc/05/08/35/1435050835.db2.gz TVURSJQPSNXBHP-SFHVURJKSA-N 1 1 388.475 3.207 20 30 GGEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000274200716 1435050837 /nfs/dbraw/zinc/05/08/37/1435050837.db2.gz TVURSJQPSNXBHP-SFHVURJKSA-N 1 1 388.475 3.207 20 30 GGEDMO C#CC[N@H+](CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)C1CC1 ZINC000274227622 1435053080 /nfs/dbraw/zinc/05/30/80/1435053080.db2.gz WDNQABPILNMSNR-UHFFFAOYSA-N 1 1 391.471 3.374 20 30 GGEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796721 1435093473 /nfs/dbraw/zinc/09/34/73/1435093473.db2.gz DHEJYKRTBLRVFC-WFXMLNOXSA-N 1 1 376.504 3.385 20 30 GGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796721 1435093476 /nfs/dbraw/zinc/09/34/76/1435093476.db2.gz DHEJYKRTBLRVFC-WFXMLNOXSA-N 1 1 376.504 3.385 20 30 GGEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000274803266 1435094040 /nfs/dbraw/zinc/09/40/40/1435094040.db2.gz BDXDKPFDCRNDRY-QGZVFWFLSA-N 1 1 397.479 3.343 20 30 GGEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000274803266 1435094041 /nfs/dbraw/zinc/09/40/41/1435094041.db2.gz BDXDKPFDCRNDRY-QGZVFWFLSA-N 1 1 397.479 3.343 20 30 GGEDMO Cc1cc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)nn1CCC#N ZINC000274869946 1435099526 /nfs/dbraw/zinc/09/95/26/1435099526.db2.gz WYVIPGYEUUYJBI-LJQANCHMSA-N 1 1 380.496 3.137 20 30 GGEDMO Cc1oc(NC(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274881118 1435100658 /nfs/dbraw/zinc/10/06/58/1435100658.db2.gz ZRVCNWLYYCXPNT-YWZLYKJASA-N 1 1 380.492 3.207 20 30 GGEDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000275071708 1435114377 /nfs/dbraw/zinc/11/43/77/1435114377.db2.gz AEYYYIBEDFVWGR-CYBMUJFWSA-N 1 1 378.316 3.057 20 30 GGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)ccc1OC ZINC000275154136 1435119363 /nfs/dbraw/zinc/11/93/63/1435119363.db2.gz UQATZDZZPGGDPB-HNNXBMFYSA-N 1 1 386.414 3.151 20 30 GGEDMO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000275457350 1435140514 /nfs/dbraw/zinc/14/05/14/1435140514.db2.gz MAAYCIYOCRNEPD-ZDUSSCGKSA-N 1 1 383.402 3.270 20 30 GGEDMO Cc1cc(NC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)nn1CCC#N ZINC000275755927 1435166097 /nfs/dbraw/zinc/16/60/97/1435166097.db2.gz OUOYENSOHXXYEK-INIZCTEOSA-N 1 1 382.468 3.142 20 30 GGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](N4CCCC4=O)C3)c2)c1 ZINC000276852090 1435237637 /nfs/dbraw/zinc/23/76/37/1435237637.db2.gz UYYZCVZJJJCIHU-NRFANRHFSA-N 1 1 375.472 3.334 20 30 GGEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000277141652 1435267600 /nfs/dbraw/zinc/26/76/00/1435267600.db2.gz VINFWXOSCKENET-UHFFFAOYSA-N 1 1 388.397 3.388 20 30 GGEDMO CC(=O)Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000277454086 1435305713 /nfs/dbraw/zinc/30/57/13/1435305713.db2.gz OHTAUGBNBCDTIV-UHFFFAOYSA-N 1 1 394.450 3.004 20 30 GGEDMO CC(=O)Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000277454086 1435305716 /nfs/dbraw/zinc/30/57/16/1435305716.db2.gz OHTAUGBNBCDTIV-UHFFFAOYSA-N 1 1 394.450 3.004 20 30 GGEDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2-c2ccccc2C#N)CCCO1 ZINC000277523422 1435310375 /nfs/dbraw/zinc/31/03/75/1435310375.db2.gz LEOVQQZHGCIPFV-GOSISDBHSA-N 1 1 377.488 3.456 20 30 GGEDMO N#CCOc1cccc(NC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000277539726 1435311383 /nfs/dbraw/zinc/31/13/83/1435311383.db2.gz UBVNFXATZBCINJ-LJQANCHMSA-N 1 1 396.516 3.328 20 30 GGEDMO N#CCOc1cccc(NC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000277539726 1435311386 /nfs/dbraw/zinc/31/13/86/1435311386.db2.gz UBVNFXATZBCINJ-LJQANCHMSA-N 1 1 396.516 3.328 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277778832 1435329458 /nfs/dbraw/zinc/32/94/58/1435329458.db2.gz NQGZRIMOHGONGR-GOSISDBHSA-N 1 1 377.488 3.202 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(CC(=O)Nc3c(Cl)cccc3Cl)no2)CC1 ZINC000277833799 1435334519 /nfs/dbraw/zinc/33/45/19/1435334519.db2.gz IDBQIHVZSYCUKD-UHFFFAOYSA-N 1 1 393.274 3.370 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)CC1 ZINC000277886339 1435339353 /nfs/dbraw/zinc/33/93/53/1435339353.db2.gz LATYEMVCHODAIH-UHFFFAOYSA-N 1 1 388.471 3.447 20 30 GGEDMO CC(C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H](O)COc1ccccc1 ZINC000277910644 1435341518 /nfs/dbraw/zinc/34/15/18/1435341518.db2.gz YNDXBULYRYDSHF-IBGZPJMESA-N 1 1 392.459 3.259 20 30 GGEDMO CC(C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H](O)COc1ccccc1 ZINC000277910644 1435341521 /nfs/dbraw/zinc/34/15/21/1435341521.db2.gz YNDXBULYRYDSHF-IBGZPJMESA-N 1 1 392.459 3.259 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278318327 1435379261 /nfs/dbraw/zinc/37/92/61/1435379261.db2.gz NITQBGWAISAVSX-KRWDZBQOSA-N 1 1 396.466 3.399 20 30 GGEDMO CN(CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000278548427 1435399026 /nfs/dbraw/zinc/39/90/26/1435399026.db2.gz BDJBDUVBINHALN-UHFFFAOYSA-N 1 1 388.519 3.470 20 30 GGEDMO C[N@H+](CCCNCc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000278548427 1435399028 /nfs/dbraw/zinc/39/90/28/1435399028.db2.gz BDJBDUVBINHALN-UHFFFAOYSA-N 1 1 388.519 3.470 20 30 GGEDMO C[N@@H+](CCCNCc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000278548427 1435399029 /nfs/dbraw/zinc/39/90/29/1435399029.db2.gz BDJBDUVBINHALN-UHFFFAOYSA-N 1 1 388.519 3.470 20 30 GGEDMO C[NH+](C)[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)C1CCCCC1 ZINC000278583210 1435402516 /nfs/dbraw/zinc/40/25/16/1435402516.db2.gz GAGAVROLIIUAMA-OAQYLSRUSA-N 1 1 380.540 3.459 20 30 GGEDMO C[NH+](C)[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)C1CCCCC1 ZINC000278583207 1435402588 /nfs/dbraw/zinc/40/25/88/1435402588.db2.gz GAGAVROLIIUAMA-NRFANRHFSA-N 1 1 380.540 3.459 20 30 GGEDMO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278629114 1435407360 /nfs/dbraw/zinc/40/73/60/1435407360.db2.gz KTHNKGIZCMKOBS-QGZVFWFLSA-N 1 1 389.565 3.088 20 30 GGEDMO Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000278637440 1435408635 /nfs/dbraw/zinc/40/86/35/1435408635.db2.gz HMYCFYHQZBPJHX-UHFFFAOYSA-N 1 1 391.880 3.147 20 30 GGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278650666 1435410065 /nfs/dbraw/zinc/41/00/65/1435410065.db2.gz MISCVVQZVRBRKP-SFHVURJKSA-N 1 1 380.540 3.459 20 30 GGEDMO C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278650666 1435410067 /nfs/dbraw/zinc/41/00/67/1435410067.db2.gz MISCVVQZVRBRKP-SFHVURJKSA-N 1 1 380.540 3.459 20 30 GGEDMO C=CCc1cc(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc(OC)c1O ZINC000278766980 1435421675 /nfs/dbraw/zinc/42/16/75/1435421675.db2.gz OJPIFYKTIITDOT-AWEZNQCLSA-N 1 1 379.464 3.469 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H](N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000278937905 1435442467 /nfs/dbraw/zinc/44/24/67/1435442467.db2.gz UDZREGPZYDXIMW-SFHVURJKSA-N 1 1 395.532 3.137 20 30 GGEDMO C[C@@H](c1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1)[NH+]1CCOCC1 ZINC000279212883 1435472219 /nfs/dbraw/zinc/47/22/19/1435472219.db2.gz CAOHTAXVELXOTL-UWJYYQICSA-N 1 1 388.471 3.272 20 30 GGEDMO C[C@H](c1ccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1)[NH+]1CCOCC1 ZINC000279212878 1435472306 /nfs/dbraw/zinc/47/23/06/1435472306.db2.gz CAOHTAXVELXOTL-UTKZUKDTSA-N 1 1 388.471 3.272 20 30 GGEDMO N#CCCn1cc(CN2CCC[N@H+](C3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000279377629 1435492843 /nfs/dbraw/zinc/49/28/43/1435492843.db2.gz JUVBRUVOUZQEPR-UHFFFAOYSA-N 1 1 378.524 3.309 20 30 GGEDMO N#CCCn1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000279387604 1435493743 /nfs/dbraw/zinc/49/37/43/1435493743.db2.gz LAFHRNDCWFAXJZ-JOCHJYFZSA-N 1 1 387.487 3.302 20 30 GGEDMO N#CCCn1cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000279387604 1435493744 /nfs/dbraw/zinc/49/37/44/1435493744.db2.gz LAFHRNDCWFAXJZ-JOCHJYFZSA-N 1 1 387.487 3.302 20 30 GGEDMO C#CCn1ccc(CN(CC)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000279404524 1435495522 /nfs/dbraw/zinc/49/55/22/1435495522.db2.gz HJANACBVTINNEG-CTNGQTDRSA-N 1 1 393.535 3.101 20 30 GGEDMO C#CCn1ccc(CN(CC)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000279404531 1435495544 /nfs/dbraw/zinc/49/55/44/1435495544.db2.gz HJANACBVTINNEG-FPOVZHCZSA-N 1 1 393.535 3.101 20 30 GGEDMO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000279409115 1435496032 /nfs/dbraw/zinc/49/60/32/1435496032.db2.gz VSXKWRNVODQLSZ-NRFANRHFSA-N 1 1 384.480 3.057 20 30 GGEDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000279409115 1435496035 /nfs/dbraw/zinc/49/60/35/1435496035.db2.gz VSXKWRNVODQLSZ-NRFANRHFSA-N 1 1 384.480 3.057 20 30 GGEDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)n2C ZINC000279495851 1435505921 /nfs/dbraw/zinc/50/59/21/1435505921.db2.gz YLRXKHVPQOTQEF-UHFFFAOYSA-N 1 1 385.475 3.344 20 30 GGEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](CCO)c1ccccc1 ZINC000279503872 1435506793 /nfs/dbraw/zinc/50/67/93/1435506793.db2.gz ZQGONVWAPYSPJH-NRFANRHFSA-N 1 1 375.476 3.414 20 30 GGEDMO N#CCOc1ccc(/C=C/C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000279678681 1435528230 /nfs/dbraw/zinc/52/82/30/1435528230.db2.gz MOEMYPFVEKSRDI-CFVXRLLBSA-N 1 1 387.483 3.193 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCC[C@H]2C[C@@H](C)O)c1C#N ZINC000279742120 1435537118 /nfs/dbraw/zinc/53/71/18/1435537118.db2.gz KQCZIGCPLHTVFZ-QAPCUYQASA-N 1 1 398.507 3.182 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c1C#N ZINC000279742120 1435537119 /nfs/dbraw/zinc/53/71/19/1435537119.db2.gz KQCZIGCPLHTVFZ-QAPCUYQASA-N 1 1 398.507 3.182 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000279980931 1435572040 /nfs/dbraw/zinc/57/20/40/1435572040.db2.gz JQABXLLZTIMVGY-GOTSBHOMSA-N 1 1 386.499 3.267 20 30 GGEDMO C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280158665 1435601287 /nfs/dbraw/zinc/60/12/87/1435601287.db2.gz RXTCQKPQGSDEQP-TZYHBYERSA-N 1 1 386.499 3.267 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280289369 1435627293 /nfs/dbraw/zinc/62/72/93/1435627293.db2.gz FALLNCXLNRDCSR-YSZBQJHXSA-N 1 1 386.499 3.267 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355865 1435642909 /nfs/dbraw/zinc/64/29/09/1435642909.db2.gz IQGNLQFGSDQXFV-XXBNENTESA-N 1 1 386.499 3.364 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355856 1435643211 /nfs/dbraw/zinc/64/32/11/1435643211.db2.gz IQGNLQFGSDQXFV-AUSIDOKSSA-N 1 1 386.499 3.364 20 30 GGEDMO C[C@@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000280381540 1435649406 /nfs/dbraw/zinc/64/94/06/1435649406.db2.gz MRMZGZAVLVJACA-AUSIDOKSSA-N 1 1 386.499 3.364 20 30 GGEDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](C)O2 ZINC000280462519 1435665060 /nfs/dbraw/zinc/66/50/60/1435665060.db2.gz MJQLJOQLRGGZGK-KGVIQGDOSA-N 1 1 380.492 3.232 20 30 GGEDMO CN(C(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1)c1ccccc1 ZINC000280484513 1435668218 /nfs/dbraw/zinc/66/82/18/1435668218.db2.gz AIIJNHNICFLMQQ-SFHVURJKSA-N 1 1 387.443 3.093 20 30 GGEDMO COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)sc1C ZINC000280544385 1435676898 /nfs/dbraw/zinc/67/68/98/1435676898.db2.gz TWMWKZRDHUIZBB-INIZCTEOSA-N 1 1 398.488 3.276 20 30 GGEDMO COC(=O)c1nc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)sc1C ZINC000280544385 1435676899 /nfs/dbraw/zinc/67/68/99/1435676899.db2.gz TWMWKZRDHUIZBB-INIZCTEOSA-N 1 1 398.488 3.276 20 30 GGEDMO COc1ccc(C[N@H+](CCc2ccccn2)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000280590539 1435684646 /nfs/dbraw/zinc/68/46/46/1435684646.db2.gz UFOFCZWCLRSLIB-QHCPKHFHSA-N 1 1 394.519 3.189 20 30 GGEDMO COc1ccc(C[N@@H+](CCc2ccccn2)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000280590539 1435684647 /nfs/dbraw/zinc/68/46/47/1435684647.db2.gz UFOFCZWCLRSLIB-QHCPKHFHSA-N 1 1 394.519 3.189 20 30 GGEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000280936831 1435744578 /nfs/dbraw/zinc/74/45/78/1435744578.db2.gz WHAJTZFIUGLWNI-NRFANRHFSA-N 1 1 390.462 3.114 20 30 GGEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000280936831 1435744579 /nfs/dbraw/zinc/74/45/79/1435744579.db2.gz WHAJTZFIUGLWNI-NRFANRHFSA-N 1 1 390.462 3.114 20 30 GGEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1Cl ZINC000281081020 1435769944 /nfs/dbraw/zinc/76/99/44/1435769944.db2.gz SXGAJTVJEPCWRP-QGZVFWFLSA-N 1 1 388.899 3.063 20 30 GGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000281111588 1435776445 /nfs/dbraw/zinc/77/64/45/1435776445.db2.gz BGSAILJOOMKOQZ-UHFFFAOYSA-N 1 1 379.508 3.328 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+](CCCO)Cc1ccccn1)CCCC2 ZINC000281116541 1435777921 /nfs/dbraw/zinc/77/79/21/1435777921.db2.gz XEAOEYLEPLMBPW-UHFFFAOYSA-N 1 1 398.532 3.107 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000281164133 1435787518 /nfs/dbraw/zinc/78/75/18/1435787518.db2.gz CPHXJUBFIMOHTQ-HKBOAZHASA-N 1 1 386.540 3.059 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000281352783 1435805101 /nfs/dbraw/zinc/80/51/01/1435805101.db2.gz WWVYTWSBWKGRDO-UNMCSNQZSA-N 1 1 391.515 3.101 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000281352774 1435805110 /nfs/dbraw/zinc/80/51/10/1435805110.db2.gz WWVYTWSBWKGRDO-IRLDBZIGSA-N 1 1 391.515 3.101 20 30 GGEDMO C=CCN1CC[C@H](N(C)C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1=O ZINC000281434228 1435808765 /nfs/dbraw/zinc/80/87/65/1435808765.db2.gz QWOJFHOLSRXBDP-QFIPXVFZSA-N 1 1 391.515 3.178 20 30 GGEDMO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000281693274 1435818591 /nfs/dbraw/zinc/81/85/91/1435818591.db2.gz OMMBCJHMOQUGNL-CYBMUJFWSA-N 1 1 384.867 3.089 20 30 GGEDMO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000281693279 1435818595 /nfs/dbraw/zinc/81/85/95/1435818595.db2.gz OMMBCJHMOQUGNL-ZDUSSCGKSA-N 1 1 384.867 3.089 20 30 GGEDMO C=CC[C@H](CC)NC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000281911949 1435826402 /nfs/dbraw/zinc/82/64/02/1435826402.db2.gz PVXAUYQVIZSKIK-IBGZPJMESA-N 1 1 389.540 3.330 20 30 GGEDMO C=CC[C@@H](CC)NC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000281911951 1435826468 /nfs/dbraw/zinc/82/64/68/1435826468.db2.gz PVXAUYQVIZSKIK-LJQANCHMSA-N 1 1 389.540 3.330 20 30 GGEDMO N#CC1(CCC[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)CCOCC1 ZINC000281938290 1435827612 /nfs/dbraw/zinc/82/76/12/1435827612.db2.gz IOIFRJQFNLTBDC-UHFFFAOYSA-N 1 1 393.890 3.337 20 30 GGEDMO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000282341780 1435843847 /nfs/dbraw/zinc/84/38/47/1435843847.db2.gz RQDJUWKHRJQPRG-INIZCTEOSA-N 1 1 384.484 3.207 20 30 GGEDMO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000282403980 1435846070 /nfs/dbraw/zinc/84/60/70/1435846070.db2.gz WRVPVMBZCGCNMW-MRXNPFEDSA-N 1 1 380.521 3.471 20 30 GGEDMO C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000282539784 1435850760 /nfs/dbraw/zinc/85/07/60/1435850760.db2.gz HYSDCOWXRXIVFR-IBGZPJMESA-N 1 1 383.540 3.254 20 30 GGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccn(CCC#N)n1 ZINC000282545534 1435851043 /nfs/dbraw/zinc/85/10/43/1435851043.db2.gz SYHHBCULBIBVCC-SFHVURJKSA-N 1 1 380.496 3.219 20 30 GGEDMO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000282610702 1435853646 /nfs/dbraw/zinc/85/36/46/1435853646.db2.gz NNWWWSFOISRUIJ-UHFFFAOYSA-N 1 1 384.871 3.095 20 30 GGEDMO C#Cc1cc(F)c(NC(=O)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c(F)c1 ZINC000282796647 1435860673 /nfs/dbraw/zinc/86/06/73/1435860673.db2.gz GPFMBAKLIFKYPL-UHFFFAOYSA-N 1 1 399.441 3.041 20 30 GGEDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000283120179 1435875503 /nfs/dbraw/zinc/87/55/03/1435875503.db2.gz VGPQGDJFDQNKLN-RTWAWAEBSA-N 1 1 399.502 3.413 20 30 GGEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000283398142 1435887960 /nfs/dbraw/zinc/88/79/60/1435887960.db2.gz WKZTUDBVYCWYAU-UYAOXDASSA-N 1 1 378.524 3.369 20 30 GGEDMO C=CCN(CCc1ccccc1)C(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000283857853 1435938397 /nfs/dbraw/zinc/93/83/97/1435938397.db2.gz BISOUOFYKKOJBI-HXUWFJFHSA-N 1 1 385.552 3.015 20 30 GGEDMO CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000284109128 1435991921 /nfs/dbraw/zinc/99/19/21/1435991921.db2.gz GPQSBWSADAVFGW-NHCUHLMSSA-N 1 1 386.515 3.107 20 30 GGEDMO CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000284109124 1435992331 /nfs/dbraw/zinc/99/23/31/1435992331.db2.gz GPQSBWSADAVFGW-LEWJYISDSA-N 1 1 386.515 3.107 20 30 GGEDMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000284495213 1436025842 /nfs/dbraw/zinc/02/58/42/1436025842.db2.gz CEMRUXHXXGQIHN-OAHLLOKOSA-N 1 1 398.438 3.020 20 30 GGEDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000284495208 1436026003 /nfs/dbraw/zinc/02/60/03/1436026003.db2.gz CEMRUXHXXGQIHN-HNNXBMFYSA-N 1 1 398.438 3.020 20 30 GGEDMO C[NH+](CCCC[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736792836 1449120574 /nfs/dbraw/zinc/12/05/74/1449120574.db2.gz RAZPOGZBBFRGCO-UHFFFAOYSA-N 1 1 389.507 3.082 20 30 GGEDMO C[NH+](CCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(C#N)cc1 ZINC000736792836 1449120581 /nfs/dbraw/zinc/12/05/81/1449120581.db2.gz RAZPOGZBBFRGCO-UHFFFAOYSA-N 1 1 389.507 3.082 20 30 GGEDMO C[NH+](CCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(C#N)cc1 ZINC000736792836 1449120584 /nfs/dbraw/zinc/12/05/84/1449120584.db2.gz RAZPOGZBBFRGCO-UHFFFAOYSA-N 1 1 389.507 3.082 20 30 GGEDMO C[NH+](CCCC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736792836 1449120588 /nfs/dbraw/zinc/12/05/88/1449120588.db2.gz RAZPOGZBBFRGCO-UHFFFAOYSA-N 1 1 389.507 3.082 20 30 GGEDMO C[NH+](CCCC[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736792836 1449120591 /nfs/dbraw/zinc/12/05/91/1449120591.db2.gz RAZPOGZBBFRGCO-UHFFFAOYSA-N 1 1 389.507 3.082 20 30 GGEDMO C[NH+](CCCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(C#N)cc1 ZINC000736792836 1449120595 /nfs/dbraw/zinc/12/05/95/1449120595.db2.gz RAZPOGZBBFRGCO-UHFFFAOYSA-N 1 1 389.507 3.082 20 30 GGEDMO C[NH+](CCCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(C#N)cc1 ZINC000736792836 1449120599 /nfs/dbraw/zinc/12/05/99/1449120599.db2.gz RAZPOGZBBFRGCO-UHFFFAOYSA-N 1 1 389.507 3.082 20 30 GGEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164650320 719314991 /nfs/dbraw/zinc/31/49/91/719314991.db2.gz BXZDZHGDWGJKTQ-UHFFFAOYSA-N 1 1 378.524 3.234 20 30 GGEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c(C#N)cn1)CC2 ZINC001164715532 720111906 /nfs/dbraw/zinc/11/19/06/720111906.db2.gz HLWNCSBXXVEMSN-NRFANRHFSA-N 1 1 391.519 3.164 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C3(C#N)CCC3)cn1)C2 ZINC001164813767 720114876 /nfs/dbraw/zinc/11/48/76/720114876.db2.gz QLBKNGXNAQUYCU-NFBKMPQASA-N 1 1 380.536 3.212 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(Cl)cc1C#N)C2 ZINC001164815467 720116706 /nfs/dbraw/zinc/11/67/06/720116706.db2.gz VUVBELMNAJRNDJ-DNVCBOLYSA-N 1 1 395.334 3.445 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C#C[Si](C)(C)C)C2 ZINC001164814980 720139789 /nfs/dbraw/zinc/13/97/89/720139789.db2.gz UXEFYJJZNRRREQ-JTHBVZDNSA-N 1 1 397.639 3.495 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001164819543 720166659 /nfs/dbraw/zinc/16/66/59/720166659.db2.gz XSUOITGAQGSHGH-NFBKMPQASA-N 1 1 380.536 3.017 20 30 GGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722606 720389238 /nfs/dbraw/zinc/38/92/38/720389238.db2.gz DQHJYJMUUHMGAJ-HZPDHXFCSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722606 720389246 /nfs/dbraw/zinc/38/92/46/720389246.db2.gz DQHJYJMUUHMGAJ-HZPDHXFCSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726454 720390686 /nfs/dbraw/zinc/39/06/86/720390686.db2.gz OMWXDTOTTWNQQV-DLBZAZTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726454 720390689 /nfs/dbraw/zinc/39/06/89/720390689.db2.gz OMWXDTOTTWNQQV-DLBZAZTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725362 720391759 /nfs/dbraw/zinc/39/17/59/720391759.db2.gz MYWMIFPZIOKSBZ-CVEARBPZSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164725362 720391769 /nfs/dbraw/zinc/39/17/69/720391769.db2.gz MYWMIFPZIOKSBZ-CVEARBPZSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164734804 720416353 /nfs/dbraw/zinc/41/63/53/720416353.db2.gz UQOVKACVUXUGQB-SJORKVTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164734804 720416354 /nfs/dbraw/zinc/41/63/54/720416354.db2.gz UQOVKACVUXUGQB-SJORKVTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(-c2ccncc2)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726375 720429081 /nfs/dbraw/zinc/42/90/81/720429081.db2.gz BVLKHXLFWJJEMQ-VXKWHMMOSA-N 1 1 382.471 3.263 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C#N)cc(Cl)n3)CC[C@@H]21 ZINC001164832862 720504677 /nfs/dbraw/zinc/50/46/77/720504677.db2.gz BQTXLAZITIKLBA-BZSNNMDCSA-N 1 1 384.915 3.181 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164837247 720512492 /nfs/dbraw/zinc/51/24/92/720512492.db2.gz OQZSFQIPLXEQHF-ZHALLVOQSA-N 1 1 398.942 3.489 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(Cl)c(C#N)n3)CC[C@@H]21 ZINC001164839040 720514204 /nfs/dbraw/zinc/51/42/04/720514204.db2.gz SDYUOGYXAYMGBD-BXWFABGCSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(Cl)c3C#N)CC[C@@H]21 ZINC001164839096 720521749 /nfs/dbraw/zinc/52/17/49/720521749.db2.gz SSGHYSPEZNAPIN-BXWFABGCSA-N 1 1 384.915 3.181 20 30 GGEDMO Cc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164836755 720532326 /nfs/dbraw/zinc/53/23/26/720532326.db2.gz KVGPIXYJNMWJGM-PCCBWWKXSA-N 1 1 378.524 3.144 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3[nH]ccc4ncc(C#N)c3-4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835575 720584975 /nfs/dbraw/zinc/58/49/75/720584975.db2.gz BKNGBCPLCOKHQI-IMFGXOCKSA-N 1 1 389.507 3.009 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH]ccc4ncc(C#N)c3-4)CC[C@@H]21 ZINC001164835577 720586273 /nfs/dbraw/zinc/58/62/73/720586273.db2.gz BKNGBCPLCOKHQI-QRFRQXIXSA-N 1 1 389.507 3.009 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4[nH]c(C#N)cc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835582 720596143 /nfs/dbraw/zinc/59/61/43/720596143.db2.gz BNDGGYSWJAOADO-PLMTUMEDSA-N 1 1 389.507 3.009 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4c(cc3C#N)CCC4)CC[C@@H]21 ZINC001164841559 720604921 /nfs/dbraw/zinc/60/49/21/720604921.db2.gz TWJJHATZLWNVBQ-ONTIZHBOSA-N 1 1 390.535 3.016 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(CC#N)cc3Cl)CC[C@@H]21 ZINC001164837207 720629864 /nfs/dbraw/zinc/62/98/64/720629864.db2.gz HPCOQAANDIMSPM-BJLQDIEVSA-N 1 1 398.942 3.375 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(CC#N)cc3Cl)CC[C@@H]21 ZINC001164837211 720630142 /nfs/dbraw/zinc/63/01/42/720630142.db2.gz HPCOQAANDIMSPM-HBFSDRIKSA-N 1 1 398.942 3.375 20 30 GGEDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)cc1C#N ZINC001164840266 720643247 /nfs/dbraw/zinc/64/32/47/720643247.db2.gz PQPAYVWRBKTTAS-QWFCFKBJSA-N 1 1 398.942 3.489 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164843243 720673537 /nfs/dbraw/zinc/67/35/37/720673537.db2.gz VSWNPBDSUGCEON-QGZVFWFLSA-N 1 1 397.910 3.262 20 30 GGEDMO COc1cc(C#N)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839704 720692785 /nfs/dbraw/zinc/69/27/85/720692785.db2.gz BLDNQRAMFMJHOE-FQEVSTJZSA-N 1 1 392.503 3.222 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(C#N)cc1F)CC2 ZINC001164838259 720703405 /nfs/dbraw/zinc/70/34/05/720703405.db2.gz HPOVMSMRKSFZJD-LJQANCHMSA-N 1 1 380.467 3.352 20 30 GGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)cc1C#N)[C@H]2C ZINC001164853475 720923001 /nfs/dbraw/zinc/92/30/01/720923001.db2.gz AXWQTOLYHVCYTM-LBPRGKRZSA-N 1 1 376.867 3.364 20 30 GGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc3c(c1C#N)CCCC3)[C@H]2C ZINC001164864436 721021731 /nfs/dbraw/zinc/02/17/31/721021731.db2.gz XNTKRQJLBXOGKG-INIZCTEOSA-N 1 1 378.524 3.450 20 30 GGEDMO Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164868160 721050617 /nfs/dbraw/zinc/05/06/17/721050617.db2.gz NJCYJVSTWUPHLB-QZTJIDSGSA-N 1 1 397.910 3.098 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@H]3C2)cn1 ZINC001164771323 721164822 /nfs/dbraw/zinc/16/48/22/721164822.db2.gz SAGJAWAHMVSKFX-NHCUHLMSSA-N 1 1 393.611 3.002 20 30 GGEDMO N#C[C@@H](c1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nn1)c1ccccc1F ZINC001164771307 721292957 /nfs/dbraw/zinc/29/29/57/721292957.db2.gz ZQQHEEQBWNMFNA-GOSISDBHSA-N 1 1 377.467 3.193 20 30 GGEDMO C[Si](C)(C)C#Cc1cccnc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164787408 721417788 /nfs/dbraw/zinc/41/77/88/721417788.db2.gz QNAIQDFSLICXSO-QZTJIDSGSA-N 1 1 382.609 3.335 20 30 GGEDMO N#Cc1ccc(-c2ccncc2)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164782641 721424467 /nfs/dbraw/zinc/42/44/67/721424467.db2.gz HAMHDQQBLDOPPA-QZTJIDSGSA-N 1 1 388.500 3.040 20 30 GGEDMO N#Cc1nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c(Cl)cc1Cl ZINC001164780853 721434136 /nfs/dbraw/zinc/43/41/36/721434136.db2.gz AOBUTPBTSCKKDR-QWRGUYRKSA-N 1 1 380.304 3.285 20 30 GGEDMO COc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(F)cc1C#N ZINC001164795708 721499108 /nfs/dbraw/zinc/49/91/08/721499108.db2.gz JVIDDQDBDSACHB-UHFFFAOYSA-N 1 1 395.482 3.377 20 30 GGEDMO N#Cc1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900516 721510242 /nfs/dbraw/zinc/51/02/42/721510242.db2.gz RRAGQBXDDHJIAB-GOEBONIOSA-N 1 1 390.821 3.227 20 30 GGEDMO Cc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C#N ZINC001164803706 721530176 /nfs/dbraw/zinc/53/01/76/721530176.db2.gz IVPCSCOZNJVVQT-CMKODMSKSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1C#N ZINC001164803706 721530181 /nfs/dbraw/zinc/53/01/81/721530181.db2.gz IVPCSCOZNJVVQT-CMKODMSKSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1cc(Cl)nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C#N ZINC001164803708 721530312 /nfs/dbraw/zinc/53/03/12/721530312.db2.gz IVPCSCOZNJVVQT-HBFSDRIKSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1cc(Cl)nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C#N ZINC001164803708 721530314 /nfs/dbraw/zinc/53/03/14/721530314.db2.gz IVPCSCOZNJVVQT-HBFSDRIKSA-N 1 1 397.910 3.178 20 30 GGEDMO N#Cc1c2c(cnc1N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164911321 721567195 /nfs/dbraw/zinc/56/71/95/721567195.db2.gz YXQAHKWOGRSFOB-AZUAARDMSA-N 1 1 392.478 3.313 20 30 GGEDMO N#Cc1c2c(cnc1N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164911328 721567423 /nfs/dbraw/zinc/56/74/23/721567423.db2.gz YXQAHKWOGRSFOB-UYAOXDASSA-N 1 1 392.478 3.313 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@H]2CCCO[C@H]12 ZINC001164808861 721576636 /nfs/dbraw/zinc/57/66/36/721576636.db2.gz WAZDUQQFZYVQAZ-ZDXQCDESSA-N 1 1 399.498 3.370 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@H]2CCCO[C@@H]12 ZINC001164808859 721576660 /nfs/dbraw/zinc/57/66/60/721576660.db2.gz WAZDUQQFZYVQAZ-WMTXJRDZSA-N 1 1 399.498 3.370 20 30 GGEDMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)cc1C#N ZINC001164807606 721590139 /nfs/dbraw/zinc/59/01/39/721590139.db2.gz OYYABTYVXMPSEN-AABGKKOBSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(Cl)cc1C#N ZINC001164807606 721590141 /nfs/dbraw/zinc/59/01/41/721590141.db2.gz OYYABTYVXMPSEN-AABGKKOBSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)cc1C#N ZINC001164807614 721590434 /nfs/dbraw/zinc/59/04/34/721590434.db2.gz OYYABTYVXMPSEN-UFYCRDLUSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)cc1C#N ZINC001164807614 721590436 /nfs/dbraw/zinc/59/04/36/721590436.db2.gz OYYABTYVXMPSEN-UFYCRDLUSA-N 1 1 397.910 3.178 20 30 GGEDMO Cc1ccc(C#N)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908477 721692979 /nfs/dbraw/zinc/69/29/79/721692979.db2.gz ZJDZAZYWPQENFL-FQEVSTJZSA-N 1 1 383.446 3.394 20 30 GGEDMO Cc1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1C#N ZINC001164907500 721701870 /nfs/dbraw/zinc/70/18/70/721701870.db2.gz UURJFZUTRRIFBO-HXUWFJFHSA-N 1 1 383.446 3.394 20 30 GGEDMO Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1C#N ZINC001164906949 721713630 /nfs/dbraw/zinc/71/36/30/721713630.db2.gz PBSAILQYPYHKCH-HXUWFJFHSA-N 1 1 383.446 3.394 20 30 GGEDMO Cc1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(C=NO)c1 ZINC001164909486 721759112 /nfs/dbraw/zinc/75/91/12/721759112.db2.gz FPFFDKSKPJGBOF-UHFFFAOYSA-N 1 1 391.475 3.381 20 30 GGEDMO Cc1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(C=NO)c1 ZINC001164909486 721759115 /nfs/dbraw/zinc/75/91/15/721759115.db2.gz FPFFDKSKPJGBOF-UHFFFAOYSA-N 1 1 391.475 3.381 20 30 GGEDMO COc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1C#N ZINC001165025405 721800000 /nfs/dbraw/zinc/80/00/00/721800000.db2.gz NYVWUYCEJNHHMY-FFZOFVMBSA-N 1 1 377.492 3.094 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc(Cl)c3C#N)C[C@H]21 ZINC001165024014 721805421 /nfs/dbraw/zinc/80/54/21/721805421.db2.gz KRHSWEOJXSJYPF-BMGDILEWSA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cnc3C#N)C[C@H]21 ZINC001165027717 721805461 /nfs/dbraw/zinc/80/54/61/721805461.db2.gz XMMNCHNVWOZAQB-QGPMSJSTSA-N 1 1 382.899 3.134 20 30 GGEDMO COc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165018695 721808554 /nfs/dbraw/zinc/80/85/54/721808554.db2.gz BYBIBTSOSACUMA-PWIZWCRZSA-N 1 1 377.492 3.094 20 30 GGEDMO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165025117 721813109 /nfs/dbraw/zinc/81/31/09/721813109.db2.gz LKSMCEYYQACZNH-ZYSHUDEJSA-N 1 1 396.926 3.442 20 30 GGEDMO Cc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165025113 721813170 /nfs/dbraw/zinc/81/31/70/721813170.db2.gz LKSMCEYYQACZNH-KFKAGJAMSA-N 1 1 396.926 3.442 20 30 GGEDMO C=CCOc1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025154 721813196 /nfs/dbraw/zinc/81/31/96/721813196.db2.gz LNDQTYYOVOCKPZ-CEWLAPEOSA-N 1 1 393.535 3.482 20 30 GGEDMO COc1cc(C#N)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026076 721813916 /nfs/dbraw/zinc/81/39/16/721813916.db2.gz PAKORTCIZSSFDY-ORYQWCPZSA-N 1 1 377.492 3.094 20 30 GGEDMO COc1cc(C#N)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026074 721814157 /nfs/dbraw/zinc/81/41/57/721814157.db2.gz PAKORTCIZSSFDY-NDXORKPFSA-N 1 1 377.492 3.094 20 30 GGEDMO COc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(F)cc1C#N ZINC001165023113 721822077 /nfs/dbraw/zinc/82/20/77/721822077.db2.gz HLZKZYAKKJGTQT-CVAIRZPRSA-N 1 1 395.482 3.233 20 30 GGEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)c12 ZINC001164935705 721890808 /nfs/dbraw/zinc/89/08/08/721890808.db2.gz WTJZYWDFJMYLBI-ROUUACIJSA-N 1 1 383.927 3.283 20 30 GGEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c12 ZINC001164935705 721890810 /nfs/dbraw/zinc/89/08/10/721890810.db2.gz WTJZYWDFJMYLBI-ROUUACIJSA-N 1 1 383.927 3.283 20 30 GGEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001165043457 721925121 /nfs/dbraw/zinc/92/51/21/721925121.db2.gz KHYGAKNSJDXUFY-KRWDZBQOSA-N 1 1 399.882 3.095 20 30 GGEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)c(C#N)cn4)CC3)C2)cc1 ZINC001164938963 721925452 /nfs/dbraw/zinc/92/54/52/721925452.db2.gz DPPMJLCACKFKTO-UHFFFAOYSA-N 1 1 376.504 3.442 20 30 GGEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C)c(C#N)n4)CC3)C2)cc1 ZINC001164939298 721926007 /nfs/dbraw/zinc/92/60/07/721926007.db2.gz GXZBLAFNEQKJFA-UHFFFAOYSA-N 1 1 376.504 3.442 20 30 GGEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C#N)c(C)n4)CC3)C2)cc1 ZINC001164939670 721928800 /nfs/dbraw/zinc/92/88/00/721928800.db2.gz NYDSMJYAJGZBPK-UHFFFAOYSA-N 1 1 376.504 3.442 20 30 GGEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C#N)cc(C)n4)CC3)C2)cc1 ZINC001164940221 721932780 /nfs/dbraw/zinc/93/27/80/721932780.db2.gz SOYBFCDZNWAXND-UHFFFAOYSA-N 1 1 376.504 3.442 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164979903 722101994 /nfs/dbraw/zinc/10/19/94/722101994.db2.gz IFZBYZGVKNUABA-PKOBYXMFSA-N 1 1 397.910 3.037 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983914 722103420 /nfs/dbraw/zinc/10/34/20/722103420.db2.gz QYJWZCKFVCBVLP-UNMCSNQZSA-N 1 1 391.519 3.199 20 30 GGEDMO N#Cc1ccc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973863 722111088 /nfs/dbraw/zinc/11/10/88/722111088.db2.gz HNLFECKAVAJTMM-JTHBVZDNSA-N 1 1 399.498 3.229 20 30 GGEDMO Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)cc1C#N ZINC001164971106 722155385 /nfs/dbraw/zinc/15/53/85/722155385.db2.gz AQTVUQRVBQOHEE-FXAWDEMLSA-N 1 1 397.910 3.037 20 30 GGEDMO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]c(C)ccc4CC#N)CC[C@@H]32)cs1 ZINC001164988634 722185473 /nfs/dbraw/zinc/18/54/73/722185473.db2.gz NCSJASATNYGGCC-VQTJNVASSA-N 1 1 397.548 3.091 20 30 GGEDMO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]c(C)ccc4CC#N)CC[C@H]32)cs1 ZINC001164988635 722185525 /nfs/dbraw/zinc/18/55/25/722185525.db2.gz NCSJASATNYGGCC-WOJBJXKFSA-N 1 1 397.548 3.091 20 30 GGEDMO N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995793 722197633 /nfs/dbraw/zinc/19/76/33/722197633.db2.gz YAWLKJJFEXWQRV-HXUWFJFHSA-N 1 1 381.411 3.245 20 30 GGEDMO N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993925 722198857 /nfs/dbraw/zinc/19/88/57/722198857.db2.gz JKSPFANRJJQOND-HXUWFJFHSA-N 1 1 381.411 3.245 20 30 GGEDMO N#Cc1nc(Cl)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1C#N ZINC001164996250 722199817 /nfs/dbraw/zinc/19/98/17/722199817.db2.gz SEYNEJTWMPBVEE-HXUWFJFHSA-N 1 1 396.857 3.257 20 30 GGEDMO N#Cc1nc(Cl)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C#N ZINC001164996250 722199818 /nfs/dbraw/zinc/19/98/18/722199818.db2.gz SEYNEJTWMPBVEE-HXUWFJFHSA-N 1 1 396.857 3.257 20 30 GGEDMO C=CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819744139 945278979 /nfs/dbraw/zinc/27/89/79/945278979.db2.gz XRLFRPVSJMPMTN-UHFFFAOYSA-N 1 1 398.417 3.162 20 30 GGEDMO C#CC[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001573283501 946716508 /nfs/dbraw/zinc/71/65/08/946716508.db2.gz SMDFERSOGQNGFJ-IBGZPJMESA-N 1 1 388.431 3.288 20 30 GGEDMO C#CC[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001573283501 946716516 /nfs/dbraw/zinc/71/65/16/946716516.db2.gz SMDFERSOGQNGFJ-IBGZPJMESA-N 1 1 388.431 3.288 20 30 GGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC001573340959 947525170 /nfs/dbraw/zinc/52/51/70/947525170.db2.gz FMWDZQWSOJZTPV-INIZCTEOSA-N 1 1 386.525 3.102 20 30 GGEDMO CC(C)[C@H]1CN(c2c(C#N)cccc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC001574099473 949173434 /nfs/dbraw/zinc/17/34/34/949173434.db2.gz KXSZAWGEJXUPEV-HXUWFJFHSA-N 1 1 387.491 3.085 20 30 GGEDMO CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cs1 ZINC000737280735 978393918 /nfs/dbraw/zinc/39/39/18/978393918.db2.gz URFGIJAOXWORSI-HXUWFJFHSA-N 1 1 398.532 3.205 20 30 GGEDMO C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598472921 992056066 /nfs/dbraw/zinc/05/60/66/992056066.db2.gz XFTYRGBQRULFLB-UHFFFAOYSA-N 1 1 378.476 3.390 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000115844432 564199593 /nfs/dbraw/zinc/19/95/93/564199593.db2.gz JPPBHHNZCLFSMT-IJEWVQPXSA-N 1 1 381.929 3.238 20 30 GGEDMO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117350692 564226375 /nfs/dbraw/zinc/22/63/75/564226375.db2.gz AKVHKMMRKMUSIO-NSHDSACASA-N 1 1 375.284 3.382 20 30 GGEDMO O[C@H](COc1ccc(F)cc1)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117350692 564226379 /nfs/dbraw/zinc/22/63/79/564226379.db2.gz AKVHKMMRKMUSIO-NSHDSACASA-N 1 1 375.284 3.382 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867270 564341733 /nfs/dbraw/zinc/34/17/33/564341733.db2.gz FXGCNPCUHXEJKR-GOSISDBHSA-N 1 1 389.293 3.387 20 30 GGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000026328329 564346140 /nfs/dbraw/zinc/34/61/40/564346140.db2.gz SRGPSQVQDNAAGS-QGZVFWFLSA-N 1 1 375.266 3.192 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000122308291 564409201 /nfs/dbraw/zinc/40/92/01/564409201.db2.gz UBBISLOJEBAKKF-INIZCTEOSA-N 1 1 385.961 3.456 20 30 GGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000125667999 564522368 /nfs/dbraw/zinc/52/23/68/564522368.db2.gz XVGUSNONGGGBMG-KRWDZBQOSA-N 1 1 375.266 3.495 20 30 GGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000125667999 564522372 /nfs/dbraw/zinc/52/23/72/564522372.db2.gz XVGUSNONGGGBMG-KRWDZBQOSA-N 1 1 375.266 3.495 20 30 GGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125668294 564522457 /nfs/dbraw/zinc/52/24/57/564522457.db2.gz XVGUSNONGGGBMG-QGZVFWFLSA-N 1 1 375.266 3.495 20 30 GGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125668294 564522462 /nfs/dbraw/zinc/52/24/62/564522462.db2.gz XVGUSNONGGGBMG-QGZVFWFLSA-N 1 1 375.266 3.495 20 30 GGEDMO C[N@H+](Cc1cc(Br)cs1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000047751730 564526074 /nfs/dbraw/zinc/52/60/74/564526074.db2.gz KEDULOCSFSXMRH-AWEZNQCLSA-N 1 1 381.295 3.254 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH+]2CCC3(CC2)OCCO3)cc1OC ZINC000126105003 564536664 /nfs/dbraw/zinc/53/66/64/564536664.db2.gz SWYUSGAFYNXKAX-UHFFFAOYSA-N 1 1 398.297 3.361 20 30 GGEDMO C[N@@H+](Cc1ccccc1Br)C[C@H](O)COc1ccc(C#N)cc1 ZINC000068047189 564807605 /nfs/dbraw/zinc/80/76/05/564807605.db2.gz DACUGNGKRFHCEV-INIZCTEOSA-N 1 1 375.266 3.192 20 30 GGEDMO C[N@H+](Cc1ccccc1Br)C[C@H](O)COc1ccc(C#N)cc1 ZINC000068047189 564807608 /nfs/dbraw/zinc/80/76/08/564807608.db2.gz DACUGNGKRFHCEV-INIZCTEOSA-N 1 1 375.266 3.192 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000106861638 564990329 /nfs/dbraw/zinc/99/03/29/564990329.db2.gz RFOJNZQTZFFLOJ-KBXCAEBGSA-N 1 1 380.330 3.366 20 30 GGEDMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Br)cc1C#N ZINC000154122891 565027073 /nfs/dbraw/zinc/02/70/73/565027073.db2.gz CUJHLBZHWNQMGB-KRWDZBQOSA-N 1 1 375.266 3.192 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1OCC ZINC000154998442 565059249 /nfs/dbraw/zinc/05/92/49/565059249.db2.gz LAMXBEWTDJSIKB-AWEZNQCLSA-N 1 1 397.313 3.110 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1OCC ZINC000154998442 565059251 /nfs/dbraw/zinc/05/92/51/565059251.db2.gz LAMXBEWTDJSIKB-AWEZNQCLSA-N 1 1 397.313 3.110 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000369595674 565102192 /nfs/dbraw/zinc/10/21/92/565102192.db2.gz FAWUPNFJBFFHAP-IBGZPJMESA-N 1 1 382.261 3.417 20 30 GGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157722004 565142568 /nfs/dbraw/zinc/14/25/68/565142568.db2.gz YEFGMJISNRTYEB-ZDUSSCGKSA-N 1 1 379.302 3.434 20 30 GGEDMO C[C@H](C#N)CN(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000268612914 565160469 /nfs/dbraw/zinc/16/04/69/565160469.db2.gz WPHZNVCBBRLGPN-CQSZACIVSA-N 1 1 393.329 3.215 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(C(N)=O)CC2)cc1OCC ZINC000158593171 565174704 /nfs/dbraw/zinc/17/47/04/565174704.db2.gz NQUWDVRMENHSED-UHFFFAOYSA-N 1 1 397.313 3.110 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cc1OC ZINC000371137269 565178232 /nfs/dbraw/zinc/17/82/32/565178232.db2.gz AOCSRVALIPVING-AWEZNQCLSA-N 1 1 392.297 3.393 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000371543367 565200109 /nfs/dbraw/zinc/20/01/09/565200109.db2.gz NVYPYDKPAAWDSS-OAHLLOKOSA-N 1 1 379.298 3.338 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(CC(N)=O)CC2)cc1OC ZINC000159784508 565218346 /nfs/dbraw/zinc/21/83/46/565218346.db2.gz VUPRVVQBWOPMGR-UHFFFAOYSA-N 1 1 397.313 3.110 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000294795006 565229609 /nfs/dbraw/zinc/22/96/09/565229609.db2.gz BSXAHCARXIVCBN-SCLBCKFNSA-N 1 1 388.309 3.410 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186847967 565290228 /nfs/dbraw/zinc/29/02/28/565290228.db2.gz LKTBOAOCPRLHHH-ZDUSSCGKSA-N 1 1 379.913 3.137 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186847967 565290231 /nfs/dbraw/zinc/29/02/31/565290231.db2.gz LKTBOAOCPRLHHH-ZDUSSCGKSA-N 1 1 379.913 3.137 20 30 GGEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000187420198 565331533 /nfs/dbraw/zinc/33/15/33/565331533.db2.gz RRMGSMLAXAMLFS-CYBMUJFWSA-N 1 1 377.897 3.313 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1OC ZINC000376021366 565419617 /nfs/dbraw/zinc/41/96/17/565419617.db2.gz LLYGXYVUMUUGTD-CQSZACIVSA-N 1 1 382.298 3.491 20 30 GGEDMO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)cn1 ZINC000298595021 565421687 /nfs/dbraw/zinc/42/16/87/565421687.db2.gz RZNQJHYLANXTSN-PXAZEXFGSA-N 1 1 385.265 3.172 20 30 GGEDMO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cn1 ZINC000298698183 565426359 /nfs/dbraw/zinc/42/63/59/565426359.db2.gz ZSEUHDWFLKHTON-YGRLFVJLSA-N 1 1 391.294 3.233 20 30 GGEDMO C[N@H+]1CCN(CCCNc2snc(Cl)c2C#N)[C@@H](c2ccccc2)C1 ZINC000301129336 565466305 /nfs/dbraw/zinc/46/63/05/565466305.db2.gz ZGFDSPYAUDHXFH-MRXNPFEDSA-N 1 1 375.929 3.459 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000172659232 565496928 /nfs/dbraw/zinc/49/69/28/565496928.db2.gz HBQZWFVUCGPZBB-UHFFFAOYSA-N 1 1 382.835 3.288 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000189983742 565500386 /nfs/dbraw/zinc/50/03/86/565500386.db2.gz AAMKIVWPJXLVPH-AWEZNQCLSA-N 1 1 375.519 3.353 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277628693 565510985 /nfs/dbraw/zinc/51/09/85/565510985.db2.gz BBJJYKPKBUWRGD-RISCZKNCSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000277628693 565510992 /nfs/dbraw/zinc/51/09/92/565510992.db2.gz BBJJYKPKBUWRGD-RISCZKNCSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1ccc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(Br)c1 ZINC000301884201 565516238 /nfs/dbraw/zinc/51/62/38/565516238.db2.gz YSBBJRKFTQNZPQ-IRXDYDNUSA-N 1 1 386.293 3.368 20 30 GGEDMO N#Cc1ccc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(Br)c1 ZINC000301884201 565516240 /nfs/dbraw/zinc/51/62/40/565516240.db2.gz YSBBJRKFTQNZPQ-IRXDYDNUSA-N 1 1 386.293 3.368 20 30 GGEDMO N#Cc1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Br)c1 ZINC000302046961 565527100 /nfs/dbraw/zinc/52/71/00/565527100.db2.gz LJIBJOIGXIJYDJ-KRWDZBQOSA-N 1 1 386.293 3.499 20 30 GGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000311049260 565579297 /nfs/dbraw/zinc/57/92/97/565579297.db2.gz UMTWAWGFYFONSV-CQSZACIVSA-N 1 1 377.897 3.010 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000408155255 565597075 /nfs/dbraw/zinc/59/70/75/565597075.db2.gz QCDJPIAHHVCWRX-IJEWVQPXSA-N 1 1 381.929 3.238 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000321565508 565605731 /nfs/dbraw/zinc/60/57/31/565605731.db2.gz NFNWXGZSVSPNDM-QGZVFWFLSA-N 1 1 375.266 3.192 20 30 GGEDMO C#CCn1ccc(C[N@H+](CC)CCC(=O)Nc2ccccc2Br)n1 ZINC000279685883 565627239 /nfs/dbraw/zinc/62/72/39/565627239.db2.gz HBROUGOEGIRCSV-UHFFFAOYSA-N 1 1 389.297 3.130 20 30 GGEDMO C#CCn1ccc(C[N@@H+](CC)CCC(=O)Nc2ccccc2Br)n1 ZINC000279685883 565627244 /nfs/dbraw/zinc/62/72/44/565627244.db2.gz HBROUGOEGIRCSV-UHFFFAOYSA-N 1 1 389.297 3.130 20 30 GGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C[C@@H](C)O1 ZINC000191778205 565630038 /nfs/dbraw/zinc/63/00/38/565630038.db2.gz AABMHZOSZVVSCU-RKVPGOIHSA-N 1 1 392.341 3.394 20 30 GGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)C[C@@H](C)O1 ZINC000191778205 565630044 /nfs/dbraw/zinc/63/00/44/565630044.db2.gz AABMHZOSZVVSCU-RKVPGOIHSA-N 1 1 392.341 3.394 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000191787722 565631653 /nfs/dbraw/zinc/63/16/53/565631653.db2.gz OVAXTJNTUKFZNF-AWEZNQCLSA-N 1 1 386.297 3.238 20 30 GGEDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(C#N)ccc1Br)CC2 ZINC000191794369 565632649 /nfs/dbraw/zinc/63/26/49/565632649.db2.gz IKFQIESVCVDBCI-SJORKVTESA-N 1 1 379.298 3.073 20 30 GGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000328670534 565637971 /nfs/dbraw/zinc/63/79/71/565637971.db2.gz MSQRCCSTOJIOEI-TURNYIBQSA-N 1 1 398.276 3.008 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000328757320 565640924 /nfs/dbraw/zinc/64/09/24/565640924.db2.gz UYOMDHYECNMZNR-CVEARBPZSA-N 1 1 394.313 3.243 20 30 GGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000329282046 565661663 /nfs/dbraw/zinc/66/16/63/565661663.db2.gz MTFLJYCCEJDGLX-GFCCVEGCSA-N 1 1 380.290 3.441 20 30 GGEDMO O=C(NC1CC1)N[C@@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000329549987 565670216 /nfs/dbraw/zinc/67/02/16/565670216.db2.gz FIXSHXHHBBLDPE-CYBMUJFWSA-N 1 1 375.270 3.242 20 30 GGEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3sccc3Br)C2=O)cc1 ZINC000192243623 565673880 /nfs/dbraw/zinc/67/38/80/565673880.db2.gz CUGKOPUEHUNGSC-OAHLLOKOSA-N 1 1 390.306 3.273 20 30 GGEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3sccc3Br)C2=O)cc1 ZINC000192243618 565674098 /nfs/dbraw/zinc/67/40/98/565674098.db2.gz CUGKOPUEHUNGSC-HNNXBMFYSA-N 1 1 390.306 3.273 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000329709047 565676597 /nfs/dbraw/zinc/67/65/97/565676597.db2.gz LINNFXDWCUOOBI-WQVCFCJDSA-N 1 1 381.929 3.294 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)cc3c2OCC3)C[N@H+]1C1CC1 ZINC000329731564 565677875 /nfs/dbraw/zinc/67/78/75/565677875.db2.gz IHEPPDDYFKQNQB-IAQYHMDHSA-N 1 1 394.313 3.013 20 30 GGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000329779951 565680265 /nfs/dbraw/zinc/68/02/65/565680265.db2.gz RKUWBUFAAINERV-RLCCDNCMSA-N 1 1 394.313 3.259 20 30 GGEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000329811619 565680668 /nfs/dbraw/zinc/68/06/68/565680668.db2.gz BXHMJDLNWGPUGT-INIZCTEOSA-N 1 1 396.329 3.189 20 30 GGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000329810479 565680943 /nfs/dbraw/zinc/68/09/43/565680943.db2.gz BNTACYBJTGTGCY-YGRLFVJLSA-N 1 1 381.270 3.008 20 30 GGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000329779950 565681231 /nfs/dbraw/zinc/68/12/31/565681231.db2.gz RKUWBUFAAINERV-LYRGGWFBSA-N 1 1 394.313 3.259 20 30 GGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000329827831 565681823 /nfs/dbraw/zinc/68/18/23/565681823.db2.gz JCTDDLOCFMAQHW-ABAIWWIYSA-N 1 1 395.297 3.202 20 30 GGEDMO [O-]C(N[C@@H]1COc2c1ccc(Cl)c2Cl)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329916022 565685494 /nfs/dbraw/zinc/68/54/94/565685494.db2.gz YRMMQPZHTZDZKQ-GXFFZTMASA-N 1 1 381.263 3.390 20 30 GGEDMO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cn2)c(C#N)c1C ZINC000280633437 565686125 /nfs/dbraw/zinc/68/61/25/565686125.db2.gz XNXGVEZNXBYCPU-JTQLQIEISA-N 1 1 377.242 3.215 20 30 GGEDMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000330097856 565692070 /nfs/dbraw/zinc/69/20/70/565692070.db2.gz BFVQYDRQKJXSNT-YPMHNXCESA-N 1 1 381.274 3.263 20 30 GGEDMO C[N@H+](CCCSCC#N)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280741231 565692180 /nfs/dbraw/zinc/69/21/80/565692180.db2.gz MKPXDSSIBHOKOG-UHFFFAOYSA-N 1 1 380.315 3.108 20 30 GGEDMO C[N@@H+](CCCSCC#N)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280741231 565692184 /nfs/dbraw/zinc/69/21/84/565692184.db2.gz MKPXDSSIBHOKOG-UHFFFAOYSA-N 1 1 380.315 3.108 20 30 GGEDMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000330097854 565692672 /nfs/dbraw/zinc/69/26/72/565692672.db2.gz BFVQYDRQKJXSNT-DGCLKSJQSA-N 1 1 381.274 3.263 20 30 GGEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000330201003 565696655 /nfs/dbraw/zinc/69/66/55/565696655.db2.gz XDXPAZUTRSSZRA-LLVKDONJSA-N 1 1 393.260 3.072 20 30 GGEDMO CCOc1c(Cl)cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000330541361 565711477 /nfs/dbraw/zinc/71/14/77/565711477.db2.gz AFQCDOALAHRZGR-NWDGAFQWSA-N 1 1 390.311 3.325 20 30 GGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)[C@@H](C)C1 ZINC000330556184 565712443 /nfs/dbraw/zinc/71/24/43/565712443.db2.gz GXDLQLBRHFUBAD-QWRGUYRKSA-N 1 1 390.709 3.035 20 30 GGEDMO Cc1nc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000330651916 565716989 /nfs/dbraw/zinc/71/69/89/565716989.db2.gz QQEWBNPSXAMKRV-UWVGGRQHSA-N 1 1 390.347 3.406 20 30 GGEDMO Cc1nc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000330651915 565717146 /nfs/dbraw/zinc/71/71/46/565717146.db2.gz QQEWBNPSXAMKRV-AOOOYVTPSA-N 1 1 390.347 3.406 20 30 GGEDMO Cc1nc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)s1 ZINC000330651915 565717150 /nfs/dbraw/zinc/71/71/50/565717150.db2.gz QQEWBNPSXAMKRV-AOOOYVTPSA-N 1 1 390.347 3.406 20 30 GGEDMO COc1cc(Br)c(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1OC ZINC000330720660 565720480 /nfs/dbraw/zinc/72/04/80/565720480.db2.gz XCIMQAFUPNGZJP-QWRGUYRKSA-N 1 1 386.290 3.036 20 30 GGEDMO COCC[N@@H+]1CCN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C[C@H]1C ZINC000330837786 565725364 /nfs/dbraw/zinc/72/53/64/565725364.db2.gz LAGGINSFLRTOSU-LLVKDONJSA-N 1 1 376.284 3.200 20 30 GGEDMO COCC[N@H+]1CCN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C[C@H]1C ZINC000330837786 565725368 /nfs/dbraw/zinc/72/53/68/565725368.db2.gz LAGGINSFLRTOSU-LLVKDONJSA-N 1 1 376.284 3.200 20 30 GGEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(I)c(O)c1 ZINC000330880740 565727168 /nfs/dbraw/zinc/72/71/68/565727168.db2.gz YOPRTZLNSHJTHB-LBPRGKRZSA-N 1 1 388.249 3.176 20 30 GGEDMO COc1cc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc(OC)c1Br ZINC000330883732 565727198 /nfs/dbraw/zinc/72/71/98/565727198.db2.gz KBDZKUWWYHMTBL-WDEREUQCSA-N 1 1 386.290 3.036 20 30 GGEDMO COc1cc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc(OC)c1Br ZINC000330883729 565727247 /nfs/dbraw/zinc/72/72/47/565727247.db2.gz KBDZKUWWYHMTBL-GHMZBOCLSA-N 1 1 386.290 3.036 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000331167606 565743480 /nfs/dbraw/zinc/74/34/80/565743480.db2.gz IJDBMXDPKIZKNA-WDEREUQCSA-N 1 1 379.810 3.291 20 30 GGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)[C@H](C)C1 ZINC000331183495 565744492 /nfs/dbraw/zinc/74/44/92/565744492.db2.gz NPOJHYULXIHKTH-MNOVXSKESA-N 1 1 390.709 3.035 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2Br)[C@@H](C)C1 ZINC000331199936 565745544 /nfs/dbraw/zinc/74/55/44/565745544.db2.gz WFNLSRLZSFKNLY-WDEREUQCSA-N 1 1 390.709 3.035 20 30 GGEDMO CC[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[N@H+]1C[C@H](C)O ZINC000331278965 565752057 /nfs/dbraw/zinc/75/20/57/565752057.db2.gz DRQRFRDPDDCCQF-QWRGUYRKSA-N 1 1 378.275 3.455 20 30 GGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000281895549 565755128 /nfs/dbraw/zinc/75/51/28/565755128.db2.gz FCNXPLSQQTWDEB-MRXNPFEDSA-N 1 1 394.313 3.008 20 30 GGEDMO Cc1nc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Br)s1 ZINC000331361352 565756726 /nfs/dbraw/zinc/75/67/26/565756726.db2.gz YXUQIOHLAIMAAX-SNVBAGLBSA-N 1 1 389.319 3.156 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c1 ZINC000412053622 565768015 /nfs/dbraw/zinc/76/80/15/565768015.db2.gz FSWQFBQIFKWKTH-INIZCTEOSA-N 1 1 376.298 3.298 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1 ZINC000412053623 565768625 /nfs/dbraw/zinc/76/86/25/565768625.db2.gz FSWQFBQIFKWKTH-MRXNPFEDSA-N 1 1 376.298 3.298 20 30 GGEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)C1 ZINC000331901320 565791978 /nfs/dbraw/zinc/79/19/78/565791978.db2.gz LMWDHOQCWGHHPQ-ZFWWWQNUSA-N 1 1 382.291 3.209 20 30 GGEDMO C=CCOc1c(Br)cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1OCC ZINC000194536272 565821486 /nfs/dbraw/zinc/82/14/86/565821486.db2.gz YNUPFNLBEZZZHK-IYBDPMFKSA-N 1 1 395.341 3.406 20 30 GGEDMO C[C@H]1C[C@]1(C#N)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412972586 565826073 /nfs/dbraw/zinc/82/60/73/565826073.db2.gz XNHCIHVADHBUSW-SCLBCKFNSA-N 1 1 376.298 3.079 20 30 GGEDMO Cc1csc(C2([NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)CCCC2)n1 ZINC000177169937 565833223 /nfs/dbraw/zinc/83/32/23/565833223.db2.gz GLZADBZYCQPSCL-UHFFFAOYSA-N 1 1 375.519 3.156 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000332514968 565841525 /nfs/dbraw/zinc/84/15/25/565841525.db2.gz OEQHZSGMJXTUEO-HNNXBMFYSA-N 1 1 381.567 3.285 20 30 GGEDMO N#Cc1ccncc1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414052207 565891545 /nfs/dbraw/zinc/89/15/45/565891545.db2.gz KUDZXBFQPPZPEX-UHFFFAOYSA-N 1 1 399.292 3.110 20 30 GGEDMO N#CCCCCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000178047620 565892557 /nfs/dbraw/zinc/89/25/57/565892557.db2.gz USWCYACNWDJLSV-UHFFFAOYSA-N 1 1 393.329 3.407 20 30 GGEDMO N#Cc1cn(Cc2cn3cc(Br)ccc3[nH+]2)c2ccccc2c1=O ZINC000179237163 565968011 /nfs/dbraw/zinc/96/80/11/565968011.db2.gz HANOJBWXTSLYPF-UHFFFAOYSA-N 1 1 379.217 3.332 20 30 GGEDMO C[N@H+]1CCC[C@@H]1CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000245708868 566003255 /nfs/dbraw/zinc/00/32/55/566003255.db2.gz MXJWNDOYVKGZKV-RTBURBONSA-N 1 1 391.357 3.116 20 30 GGEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180464427 566064418 /nfs/dbraw/zinc/06/44/18/566064418.db2.gz VHJLTWDHZNXLJX-CYBMUJFWSA-N 1 1 395.297 3.072 20 30 GGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000180470197 566065612 /nfs/dbraw/zinc/06/56/12/566065612.db2.gz SCQQWUWLMBVDLF-ZDUSSCGKSA-N 1 1 397.313 3.296 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(Br)c1 ZINC000181103506 566114992 /nfs/dbraw/zinc/11/49/92/566114992.db2.gz BSWGEBMTTBJRGY-OAHLLOKOSA-N 1 1 386.297 3.238 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000181142531 566119380 /nfs/dbraw/zinc/11/93/80/566119380.db2.gz BYWUXJDECVRBNT-KRWDZBQOSA-N 1 1 379.298 3.481 20 30 GGEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1Br)C(=O)NCC1CCCC1 ZINC000181211438 566125300 /nfs/dbraw/zinc/12/53/00/566125300.db2.gz XQBNGJLGGFBDDS-UHFFFAOYSA-N 1 1 378.314 3.495 20 30 GGEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCOCC2CC2)CC1 ZINC000181437415 566140615 /nfs/dbraw/zinc/14/06/15/566140615.db2.gz UJKNAOWSOGOXOU-GOSISDBHSA-N 1 1 378.314 3.058 20 30 GGEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000181436517 566141155 /nfs/dbraw/zinc/14/11/55/566141155.db2.gz BTUQXBJGYQBMNB-ROUUACIJSA-N 1 1 378.314 3.200 20 30 GGEDMO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000181555998 566148776 /nfs/dbraw/zinc/14/87/76/566148776.db2.gz YZLGBWWGQVNWDI-INIZCTEOSA-N 1 1 394.313 3.357 20 30 GGEDMO COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000181555970 566149320 /nfs/dbraw/zinc/14/93/20/566149320.db2.gz YZLGBWWGQVNWDI-MRXNPFEDSA-N 1 1 394.313 3.357 20 30 GGEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183018439 566234919 /nfs/dbraw/zinc/23/49/19/566234919.db2.gz PZVXBKNVMHZKBY-DZGCQCFKSA-N 1 1 381.929 3.143 20 30 GGEDMO O[C@H](COc1ccccc1F)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000265322620 566235399 /nfs/dbraw/zinc/23/53/99/566235399.db2.gz DOZZXTFOFJMBKM-JTQLQIEISA-N 1 1 375.284 3.382 20 30 GGEDMO O[C@H](COc1ccccc1F)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000265322620 566235402 /nfs/dbraw/zinc/23/54/02/566235402.db2.gz DOZZXTFOFJMBKM-JTQLQIEISA-N 1 1 375.284 3.382 20 30 GGEDMO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183034313 566235940 /nfs/dbraw/zinc/23/59/40/566235940.db2.gz MZFPIQOLYLLCRF-KGLIPLIRSA-N 1 1 381.929 3.143 20 30 GGEDMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183034252 566235976 /nfs/dbraw/zinc/23/59/76/566235976.db2.gz MZFPIQOLYLLCRF-UONOGXRCSA-N 1 1 381.929 3.143 20 30 GGEDMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183034294 566236194 /nfs/dbraw/zinc/23/61/94/566236194.db2.gz MZFPIQOLYLLCRF-KBPBESRZSA-N 1 1 381.929 3.143 20 30 GGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000419714862 566242535 /nfs/dbraw/zinc/24/25/35/566242535.db2.gz UPXSDBADAYZWSS-OLZOCXBDSA-N 1 1 376.092 3.430 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(Cl)c1 ZINC000183405159 566246244 /nfs/dbraw/zinc/24/62/44/566246244.db2.gz ZSRJZGWUEZMMFW-OAHLLOKOSA-N 1 1 395.937 3.389 20 30 GGEDMO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H](O)COc1ccccc1C#N ZINC000599388769 566260078 /nfs/dbraw/zinc/26/00/78/566260078.db2.gz OTNCVBYXHDEERQ-OAHLLOKOSA-N 1 1 393.256 3.332 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599416136 566264550 /nfs/dbraw/zinc/26/45/50/566264550.db2.gz SZBFBGUNFXFRGD-HNNXBMFYSA-N 1 1 377.535 3.092 20 30 GGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526736 566271931 /nfs/dbraw/zinc/27/19/31/566271931.db2.gz QXMNNCWMECBPAP-MRXNPFEDSA-N 1 1 396.354 3.378 20 30 GGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526735 566272676 /nfs/dbraw/zinc/27/26/76/566272676.db2.gz QXMNNCWMECBPAP-INIZCTEOSA-N 1 1 396.354 3.378 20 30 GGEDMO CCC[N@@H+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000575457178 566273493 /nfs/dbraw/zinc/27/34/93/566273493.db2.gz IZGCDPPIMGIADN-MRXNPFEDSA-N 1 1 381.885 3.166 20 30 GGEDMO C[C@@H]([NH2+][C@H](C)c1cc(F)c(Br)cc1F)C(=O)NC1(C#N)CCC1 ZINC000599540898 566273568 /nfs/dbraw/zinc/27/35/68/566273568.db2.gz DCGKRBRJDYUUMQ-NXEZZACHSA-N 1 1 386.240 3.329 20 30 GGEDMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000575457177 566273741 /nfs/dbraw/zinc/27/37/41/566273741.db2.gz IZGCDPPIMGIADN-INIZCTEOSA-N 1 1 381.885 3.166 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000420970364 566333909 /nfs/dbraw/zinc/33/39/09/566333909.db2.gz IKEGCYQLKOYDGX-QFBILLFUSA-N 1 1 390.325 3.264 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000420970364 566333915 /nfs/dbraw/zinc/33/39/15/566333915.db2.gz IKEGCYQLKOYDGX-QFBILLFUSA-N 1 1 390.325 3.264 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(Br)cn1 ZINC000482965768 566346168 /nfs/dbraw/zinc/34/61/68/566346168.db2.gz VACDLIDLNPWINJ-CQSZACIVSA-N 1 1 387.281 3.442 20 30 GGEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625699285 566353107 /nfs/dbraw/zinc/35/31/07/566353107.db2.gz CWINLOHIUPDIGF-JKSUJKDBSA-N 1 1 381.339 3.402 20 30 GGEDMO OC[C@]1(F)CC[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000670273646 566355703 /nfs/dbraw/zinc/35/57/03/566355703.db2.gz NRSBTJPQPCFMEM-OLZOCXBDSA-N 1 1 375.284 3.465 20 30 GGEDMO OC[C@]1(F)CC[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000670273646 566355712 /nfs/dbraw/zinc/35/57/12/566355712.db2.gz NRSBTJPQPCFMEM-OLZOCXBDSA-N 1 1 375.284 3.465 20 30 GGEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483257387 566367639 /nfs/dbraw/zinc/36/76/39/566367639.db2.gz HMZSCGGOLOCBAQ-HNNXBMFYSA-N 1 1 376.806 3.182 20 30 GGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483255396 566367875 /nfs/dbraw/zinc/36/78/75/566367875.db2.gz PVAFBPFFBFVTCI-OAHLLOKOSA-N 1 1 378.822 3.406 20 30 GGEDMO C[N@@H+](CCc1cccc(Br)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000463426824 566411172 /nfs/dbraw/zinc/41/11/72/566411172.db2.gz RDYYPNLKFBRRFZ-SFHVURJKSA-N 1 1 389.293 3.235 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc(Br)c1 ZINC000463428364 566411442 /nfs/dbraw/zinc/41/14/42/566411442.db2.gz KOXCWVYZEDIWDN-KDOFPFPSSA-N 1 1 380.330 3.366 20 30 GGEDMO N#Cc1ccc([C@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)C(N)=O)cc1 ZINC000537349272 566440769 /nfs/dbraw/zinc/44/07/69/566440769.db2.gz KXRDUHUKFMWMAA-KRWDZBQOSA-N 1 1 378.259 3.198 20 30 GGEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCOC2CCC2)CC1 ZINC000558102128 566449010 /nfs/dbraw/zinc/44/90/10/566449010.db2.gz PIUSYGLZXDZEBH-GOSISDBHSA-N 1 1 378.314 3.200 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(Br)c1Cl ZINC000577706166 566458077 /nfs/dbraw/zinc/45/80/77/566458077.db2.gz YYOKAVISTZOFSP-UHFFFAOYSA-N 1 1 382.693 3.174 20 30 GGEDMO CO[C@H](C[NH+]1CCN(c2snc(C)c2C#N)CC1)c1ccc(Cl)cc1 ZINC000558471251 566477076 /nfs/dbraw/zinc/47/70/76/566477076.db2.gz OJTGXOBMMOJBFW-QGZVFWFLSA-N 1 1 376.913 3.486 20 30 GGEDMO N#Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000448609430 566482410 /nfs/dbraw/zinc/48/24/10/566482410.db2.gz YLNLCWJIIKWOMP-MRXNPFEDSA-N 1 1 384.277 3.325 20 30 GGEDMO N#Cc1cccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1Br ZINC000448621637 566483773 /nfs/dbraw/zinc/48/37/73/566483773.db2.gz KLPOOEHJMSFRDA-UHFFFAOYSA-N 1 1 398.304 3.321 20 30 GGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Br)cc1OCCCO ZINC000602675549 566486940 /nfs/dbraw/zinc/48/69/40/566486940.db2.gz KOXIFZFDNIACQH-CYBMUJFWSA-N 1 1 390.281 3.328 20 30 GGEDMO N#CCC1(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000602790822 566494383 /nfs/dbraw/zinc/49/43/83/566494383.db2.gz KSAKXRLGNJBDPX-ZDUSSCGKSA-N 1 1 377.286 3.188 20 30 GGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448788580 566498926 /nfs/dbraw/zinc/49/89/26/566498926.db2.gz XVIOOVASOXRCIG-MJBXVCDLSA-N 1 1 378.314 3.417 20 30 GGEDMO CN(C)c1noc([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)n1 ZINC000558729457 566501140 /nfs/dbraw/zinc/50/11/40/566501140.db2.gz GAAWGINVRWLVKD-ZDUSSCGKSA-N 1 1 390.285 3.149 20 30 GGEDMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)n1 ZINC000558729457 566501146 /nfs/dbraw/zinc/50/11/46/566501146.db2.gz GAAWGINVRWLVKD-ZDUSSCGKSA-N 1 1 390.285 3.149 20 30 GGEDMO CN(C)c1noc([C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)n1 ZINC000558729456 566501645 /nfs/dbraw/zinc/50/16/45/566501645.db2.gz GAAWGINVRWLVKD-CYBMUJFWSA-N 1 1 390.285 3.149 20 30 GGEDMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)n1 ZINC000558729456 566501649 /nfs/dbraw/zinc/50/16/49/566501649.db2.gz GAAWGINVRWLVKD-CYBMUJFWSA-N 1 1 390.285 3.149 20 30 GGEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 ZINC000558775741 566504868 /nfs/dbraw/zinc/50/48/68/566504868.db2.gz XLOCKLXBVVXLNJ-MRXNPFEDSA-N 1 1 398.315 3.446 20 30 GGEDMO CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCOCCC#N)CC1 ZINC000559070767 566523508 /nfs/dbraw/zinc/52/35/08/566523508.db2.gz KGCZBXQFUNZMMD-SFHVURJKSA-N 1 1 380.330 3.448 20 30 GGEDMO C=CCn1cc(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)nn1 ZINC000424290919 566526750 /nfs/dbraw/zinc/52/67/50/566526750.db2.gz CNGCFUGJIVZPFE-SFHVURJKSA-N 1 1 391.313 3.484 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449104359 566528911 /nfs/dbraw/zinc/52/89/11/566528911.db2.gz VLVBHRRKIPGRRF-CQSZACIVSA-N 1 1 394.313 3.080 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449104358 566529735 /nfs/dbraw/zinc/52/97/35/566529735.db2.gz VLVBHRRKIPGRRF-AWEZNQCLSA-N 1 1 394.313 3.080 20 30 GGEDMO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3cc(C#N)cs3)CC2)cs1 ZINC000538812903 566539237 /nfs/dbraw/zinc/53/92/37/566539237.db2.gz OJOVFAURASQGRV-CQSZACIVSA-N 1 1 376.551 3.492 20 30 GGEDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3cc(C#N)cs3)CC2)cs1 ZINC000538812903 566539243 /nfs/dbraw/zinc/53/92/43/566539243.db2.gz OJOVFAURASQGRV-CQSZACIVSA-N 1 1 376.551 3.492 20 30 GGEDMO O[C@@H](COc1ccccc1F)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460627 566594434 /nfs/dbraw/zinc/59/44/34/566594434.db2.gz RGUHJBCNRKGTHO-MXWKQRLJSA-N 1 1 375.284 3.238 20 30 GGEDMO O[C@@H](COc1ccccc1F)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460627 566594438 /nfs/dbraw/zinc/59/44/38/566594438.db2.gz RGUHJBCNRKGTHO-MXWKQRLJSA-N 1 1 375.284 3.238 20 30 GGEDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cn1 ZINC000579542910 566617347 /nfs/dbraw/zinc/61/73/47/566617347.db2.gz ABBILEOEHBXCBW-FZKQIMNGSA-N 1 1 399.292 3.167 20 30 GGEDMO N#Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Br ZINC000450182142 566642624 /nfs/dbraw/zinc/64/26/24/566642624.db2.gz ABBNWFQLRLFJDQ-PBHICJAKSA-N 1 1 388.309 3.410 20 30 GGEDMO COC(=O)[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425513471 566651333 /nfs/dbraw/zinc/65/13/33/566651333.db2.gz RUWKDQKFBNORBX-XOKHGSTOSA-N 1 1 390.281 3.081 20 30 GGEDMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425513471 566651338 /nfs/dbraw/zinc/65/13/38/566651338.db2.gz RUWKDQKFBNORBX-XOKHGSTOSA-N 1 1 390.281 3.081 20 30 GGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(Br)c2)C1=O ZINC000467513861 566652400 /nfs/dbraw/zinc/65/24/00/566652400.db2.gz SNJAEEKVVCWWGI-ZDUSSCGKSA-N 1 1 389.240 3.269 20 30 GGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Br)c2)C1=O ZINC000467513861 566652402 /nfs/dbraw/zinc/65/24/02/566652402.db2.gz SNJAEEKVVCWWGI-ZDUSSCGKSA-N 1 1 389.240 3.269 20 30 GGEDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)c2Br)[C@@H]1c1ccccc1 ZINC000450274001 566652716 /nfs/dbraw/zinc/65/27/16/566652716.db2.gz FIZJGHYIMYDLQJ-AEFFLSMTSA-N 1 1 384.277 3.496 20 30 GGEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000450277749 566653111 /nfs/dbraw/zinc/65/31/11/566653111.db2.gz NGAJDRSOYHNDLB-AWEZNQCLSA-N 1 1 378.314 3.419 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(I)c1)[NH+]1CCC(CC#N)CC1 ZINC000541020240 566688457 /nfs/dbraw/zinc/68/84/57/566688457.db2.gz NDYCCJIDKIEFSK-GFCCVEGCSA-N 1 1 397.260 3.244 20 30 GGEDMO N#Cc1ccccc1OCC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488200395 566714648 /nfs/dbraw/zinc/71/46/48/566714648.db2.gz MVGMVRFKFBUWMN-UHFFFAOYSA-N 1 1 375.266 3.194 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1OC ZINC000426532867 566717313 /nfs/dbraw/zinc/71/73/13/566717313.db2.gz YWKGXGZPHRRQFN-SFHVURJKSA-N 1 1 382.298 3.369 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1OC ZINC000426532867 566717318 /nfs/dbraw/zinc/71/73/18/566717318.db2.gz YWKGXGZPHRRQFN-SFHVURJKSA-N 1 1 382.298 3.369 20 30 GGEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000515559475 566720990 /nfs/dbraw/zinc/72/09/90/566720990.db2.gz QMEWMURDCIUFAD-STQMWFEESA-N 1 1 393.333 3.141 20 30 GGEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1cccs1 ZINC000450982797 566729592 /nfs/dbraw/zinc/72/95/92/566729592.db2.gz VKUIVCWGXZOMMT-AWEZNQCLSA-N 1 1 383.926 3.049 20 30 GGEDMO N#CCCCC[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000580944219 566736561 /nfs/dbraw/zinc/73/65/61/566736561.db2.gz TVBNHBGQTQLYMQ-UHFFFAOYSA-N 1 1 386.359 3.339 20 30 GGEDMO N#CCCCC[N@@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000580944219 566736569 /nfs/dbraw/zinc/73/65/69/566736569.db2.gz TVBNHBGQTQLYMQ-UHFFFAOYSA-N 1 1 386.359 3.339 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2cc(C)ncn2)cc1OC ZINC000677424632 566744669 /nfs/dbraw/zinc/74/46/69/566744669.db2.gz GBMHTNKBCRSLGV-UHFFFAOYSA-N 1 1 378.270 3.411 20 30 GGEDMO N#Cc1cccc(OCC[N@@H+](CCO)Cc2cc(Br)ccc2F)c1 ZINC000609029942 566746772 /nfs/dbraw/zinc/74/67/72/566746772.db2.gz DSTQFSVLAZLXSN-UHFFFAOYSA-N 1 1 393.256 3.333 20 30 GGEDMO N#Cc1cccc(OCC[N@H+](CCO)Cc2cc(Br)ccc2F)c1 ZINC000609029942 566746780 /nfs/dbraw/zinc/74/67/80/566746780.db2.gz DSTQFSVLAZLXSN-UHFFFAOYSA-N 1 1 393.256 3.333 20 30 GGEDMO C=CCOc1ccc(C[N@@H+](C)CCn2cc(Br)cn2)cc1OC ZINC000561987295 566753925 /nfs/dbraw/zinc/75/39/25/566753925.db2.gz HPUDCRDLOWAYNH-UHFFFAOYSA-N 1 1 380.286 3.351 20 30 GGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000541844318 566756051 /nfs/dbraw/zinc/75/60/51/566756051.db2.gz YMHLTXKXYAWBLM-UHFFFAOYSA-N 1 1 388.265 3.281 20 30 GGEDMO CN(CC[N@@H+](C)C1CCCCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451121586 566762487 /nfs/dbraw/zinc/76/24/87/566762487.db2.gz SDBAWCUFJVFYIP-UHFFFAOYSA-N 1 1 383.945 3.291 20 30 GGEDMO CC(C)[C@@H](C#N)N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000609485701 566766539 /nfs/dbraw/zinc/76/65/39/566766539.db2.gz VNKGIFSMMQMROR-MRXNPFEDSA-N 1 1 383.323 3.488 20 30 GGEDMO CC[N@@H+](CCNC(=O)c1cccc(C#N)c1Br)CCC(F)(F)F ZINC000451174021 566770535 /nfs/dbraw/zinc/77/05/35/566770535.db2.gz VDQYRGHFHGLGFM-UHFFFAOYSA-N 1 1 392.219 3.325 20 30 GGEDMO COCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cncs1 ZINC000517009911 566799715 /nfs/dbraw/zinc/79/97/15/566799715.db2.gz FVALQGBJWNEFPK-UHFFFAOYSA-N 1 1 378.885 3.145 20 30 GGEDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451345319 566800828 /nfs/dbraw/zinc/80/08/28/566800828.db2.gz RPAZADXHSZXUJM-MRXNPFEDSA-N 1 1 383.945 3.052 20 30 GGEDMO CC[N@@H+](CCOc1ccc(Br)cc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469598530 566802302 /nfs/dbraw/zinc/80/23/02/566802302.db2.gz IVQGVAADBQOGAA-AWEZNQCLSA-N 1 1 394.313 3.101 20 30 GGEDMO N#Cc1cnn2cc(C[N@H+]3CC[C@@H](c4cccc(Br)c4)C3)cnc12 ZINC000581726968 566802544 /nfs/dbraw/zinc/80/25/44/566802544.db2.gz VEOKYNMPHUMLLD-OAHLLOKOSA-N 1 1 382.265 3.353 20 30 GGEDMO N#Cc1cnn2cc(C[N@@H+]3CC[C@@H](c4cccc(Br)c4)C3)cnc12 ZINC000581726968 566802549 /nfs/dbraw/zinc/80/25/49/566802549.db2.gz VEOKYNMPHUMLLD-OAHLLOKOSA-N 1 1 382.265 3.353 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1C)c1ccsc1 ZINC000610133965 566809027 /nfs/dbraw/zinc/80/90/27/566809027.db2.gz BDQGXFLAQIHNHC-KRWDZBQOSA-N 1 1 377.535 3.290 20 30 GGEDMO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH+]1CCC(CC#N)CC1 ZINC000562653776 566810502 /nfs/dbraw/zinc/81/05/02/566810502.db2.gz WCLJCUIVWNRRDX-ZDUSSCGKSA-N 1 1 394.313 3.088 20 30 GGEDMO CC1CC(C#N)(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000562715489 566814994 /nfs/dbraw/zinc/81/49/94/566814994.db2.gz SKMDXMCEPIJGEV-UHFFFAOYSA-N 1 1 390.325 3.470 20 30 GGEDMO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)NCc1ccc(Cl)s1 ZINC000562893122 566831442 /nfs/dbraw/zinc/83/14/42/566831442.db2.gz ARGJDVJORGYJKE-UHFFFAOYSA-N 1 1 377.897 3.038 20 30 GGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)NCc1ccc(Cl)s1 ZINC000562893122 566831446 /nfs/dbraw/zinc/83/14/46/566831446.db2.gz ARGJDVJORGYJKE-UHFFFAOYSA-N 1 1 377.897 3.038 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470013063 566839418 /nfs/dbraw/zinc/83/94/18/566839418.db2.gz UPTCRBJWZRHXRC-HIFRSBDPSA-N 1 1 384.307 3.455 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470013063 566839425 /nfs/dbraw/zinc/83/94/25/566839425.db2.gz UPTCRBJWZRHXRC-HIFRSBDPSA-N 1 1 384.307 3.455 20 30 GGEDMO COc1ccc(Br)cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428775735 566875416 /nfs/dbraw/zinc/87/54/16/566875416.db2.gz ATMDYAGNKPFJOS-INIZCTEOSA-N 1 1 388.265 3.378 20 30 GGEDMO COc1ccc(Br)cc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428775735 566875424 /nfs/dbraw/zinc/87/54/24/566875424.db2.gz ATMDYAGNKPFJOS-INIZCTEOSA-N 1 1 388.265 3.378 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(Br)c1 ZINC000518598726 566893586 /nfs/dbraw/zinc/89/35/86/566893586.db2.gz TZOCAKGLSPRZMY-SFHVURJKSA-N 1 1 378.314 3.468 20 30 GGEDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000518643181 566896930 /nfs/dbraw/zinc/89/69/30/566896930.db2.gz OANVODZCFZQXEJ-UHFFFAOYSA-N 1 1 377.897 3.142 20 30 GGEDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000582897663 566903291 /nfs/dbraw/zinc/90/32/91/566903291.db2.gz KNLQVHNZJJKEGU-INIZCTEOSA-N 1 1 382.957 3.074 20 30 GGEDMO C=CCOCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000470774502 566903349 /nfs/dbraw/zinc/90/33/49/566903349.db2.gz USEVONBVPABONO-CQSZACIVSA-N 1 1 382.302 3.087 20 30 GGEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2Br)CCC1 ZINC000582898424 566903468 /nfs/dbraw/zinc/90/34/68/566903468.db2.gz JEQZTCDDDQHBBG-HNNXBMFYSA-N 1 1 376.298 3.018 20 30 GGEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)CCC1 ZINC000582898424 566903472 /nfs/dbraw/zinc/90/34/72/566903472.db2.gz JEQZTCDDDQHBBG-HNNXBMFYSA-N 1 1 376.298 3.018 20 30 GGEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)CCC1 ZINC000582898425 566903774 /nfs/dbraw/zinc/90/37/74/566903774.db2.gz JEQZTCDDDQHBBG-OAHLLOKOSA-N 1 1 376.298 3.018 20 30 GGEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)CCC1 ZINC000582898425 566903778 /nfs/dbraw/zinc/90/37/78/566903778.db2.gz JEQZTCDDDQHBBG-OAHLLOKOSA-N 1 1 376.298 3.018 20 30 GGEDMO N#CCCCCS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000518845808 566906669 /nfs/dbraw/zinc/90/66/69/566906669.db2.gz VYPHAPCXTAIGPC-GOSISDBHSA-N 1 1 383.945 3.308 20 30 GGEDMO N#CCCCCS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000518845808 566906675 /nfs/dbraw/zinc/90/66/75/566906675.db2.gz VYPHAPCXTAIGPC-GOSISDBHSA-N 1 1 383.945 3.308 20 30 GGEDMO Cc1cc(I)ccc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000543806581 566911445 /nfs/dbraw/zinc/91/14/45/566911445.db2.gz CMHMRNCLBVOKES-UHFFFAOYSA-N 1 1 397.260 3.164 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000611500426 566921681 /nfs/dbraw/zinc/92/16/81/566921681.db2.gz ZVPOZWDEPNRXCK-KRWDZBQOSA-N 1 1 378.314 3.007 20 30 GGEDMO COc1cc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)ccc1C#N ZINC000492059638 566922840 /nfs/dbraw/zinc/92/28/40/566922840.db2.gz HEAUKWMIQIOCPX-INIZCTEOSA-N 1 1 379.229 3.292 20 30 GGEDMO C[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)CC[N@H+](C2CCC2)C1 ZINC000452327388 566962348 /nfs/dbraw/zinc/96/23/48/566962348.db2.gz OVNIFALIYNCQID-ZDUSSCGKSA-N 1 1 376.298 3.267 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000612330950 566964710 /nfs/dbraw/zinc/96/47/10/566964710.db2.gz BRBGJRBBYROBNH-UHFFFAOYSA-N 1 1 384.977 3.125 20 30 GGEDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000564492483 566979809 /nfs/dbraw/zinc/97/98/09/566979809.db2.gz SRKGKABPRSRFOG-CQSZACIVSA-N 1 1 383.945 3.094 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274804 566980764 /nfs/dbraw/zinc/98/07/64/566980764.db2.gz SXPIDDYUXUQODX-SJKOYZFVSA-N 1 1 384.293 3.463 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274804 566980767 /nfs/dbraw/zinc/98/07/67/566980767.db2.gz SXPIDDYUXUQODX-SJKOYZFVSA-N 1 1 384.293 3.463 20 30 GGEDMO N#CCCC1CC[NH+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000583812286 566985172 /nfs/dbraw/zinc/98/51/72/566985172.db2.gz AWGMQULNNOTOFO-INIZCTEOSA-N 1 1 390.281 3.097 20 30 GGEDMO C=CCN(CC=C)C(=O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000544762134 566989923 /nfs/dbraw/zinc/98/99/23/566989923.db2.gz ZVELETUXTJEBGX-UHFFFAOYSA-N 1 1 393.325 3.493 20 30 GGEDMO COc1c(Br)cccc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430160135 566994490 /nfs/dbraw/zinc/99/44/90/566994490.db2.gz AMRRQKUMSQEFLI-HNNXBMFYSA-N 1 1 388.265 3.378 20 30 GGEDMO COc1c(Br)cccc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430160135 566994497 /nfs/dbraw/zinc/99/44/97/566994497.db2.gz AMRRQKUMSQEFLI-HNNXBMFYSA-N 1 1 388.265 3.378 20 30 GGEDMO C=CCCn1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)nn1 ZINC000657341864 567048908 /nfs/dbraw/zinc/04/89/08/567048908.db2.gz ABDQPVAIIWVTAB-UHFFFAOYSA-N 1 1 392.301 3.044 20 30 GGEDMO C[NH+]1CCN(c2ncc(Br)cc2NCc2ccc(C#N)cc2)CC1 ZINC000453049767 567049093 /nfs/dbraw/zinc/04/90/93/567049093.db2.gz CLEZGINBOHAFLH-UHFFFAOYSA-N 1 1 386.297 3.080 20 30 GGEDMO C=CCCn1cc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)nn1 ZINC000657360987 567052054 /nfs/dbraw/zinc/05/20/54/567052054.db2.gz XIAXASMBRIAIQT-UHFFFAOYSA-N 1 1 392.301 3.044 20 30 GGEDMO C=CCCn1cc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(Br)cc2)nn1 ZINC000657425999 567056488 /nfs/dbraw/zinc/05/64/88/567056488.db2.gz UNHDGHNGAPBNOF-CXAGYDPISA-N 1 1 379.302 3.483 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)C2CCN(OC)CC2)cc1OC ZINC000453605804 567097021 /nfs/dbraw/zinc/09/70/21/567097021.db2.gz PBXPFGZCTLGSQT-UHFFFAOYSA-N 1 1 399.329 3.480 20 30 GGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546589491 567140779 /nfs/dbraw/zinc/14/07/79/567140779.db2.gz WSCKOTKPFKTBNB-AWEZNQCLSA-N 1 1 376.298 3.299 20 30 GGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546589491 567140787 /nfs/dbraw/zinc/14/07/87/567140787.db2.gz WSCKOTKPFKTBNB-AWEZNQCLSA-N 1 1 376.298 3.299 20 30 GGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000566553392 567166595 /nfs/dbraw/zinc/16/65/95/567166595.db2.gz SEVCBDRWJSXDPD-CQSZACIVSA-N 1 1 377.897 3.010 20 30 GGEDMO N#C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccccc1Br ZINC000589838361 567193259 /nfs/dbraw/zinc/19/32/59/567193259.db2.gz FACQPNSEFJNLCM-MRXNPFEDSA-N 1 1 389.253 3.028 20 30 GGEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000567001815 567209467 /nfs/dbraw/zinc/20/94/67/567209467.db2.gz OAOYFLBYYHCMAX-LJQANCHMSA-N 1 1 385.309 3.269 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000433000035 567214225 /nfs/dbraw/zinc/21/42/25/567214225.db2.gz DBRPRYODTVNPNM-CZUORRHYSA-N 1 1 392.297 3.058 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1)C1CC1 ZINC000433295185 567240549 /nfs/dbraw/zinc/24/05/49/567240549.db2.gz CJYGKIBWFYVIKH-HNAYVOBHSA-N 1 1 390.325 3.122 20 30 GGEDMO CC[N@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@](C)(C#N)C(C)C ZINC000525635470 567256599 /nfs/dbraw/zinc/25/65/99/567256599.db2.gz AWKRYZTZCQQAKB-GOSISDBHSA-N 1 1 396.329 3.204 20 30 GGEDMO CC[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N[C@](C)(C#N)C(C)C ZINC000525635470 567256606 /nfs/dbraw/zinc/25/66/06/567256606.db2.gz AWKRYZTZCQQAKB-GOSISDBHSA-N 1 1 396.329 3.204 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1OCC ZINC000475670723 567267058 /nfs/dbraw/zinc/26/70/58/567267058.db2.gz JXWWGNTXWAHRLU-GOSISDBHSA-N 1 1 397.313 3.110 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1OCC ZINC000475670724 567267223 /nfs/dbraw/zinc/26/72/23/567267223.db2.gz JXWWGNTXWAHRLU-SFHVURJKSA-N 1 1 397.313 3.110 20 30 GGEDMO N#CC1(CCC[N@H+](CCO)Cc2cccc(Br)c2)CCOCC1 ZINC000499736508 567270023 /nfs/dbraw/zinc/27/00/23/567270023.db2.gz WGBKNTBQKYHMSI-UHFFFAOYSA-N 1 1 381.314 3.344 20 30 GGEDMO C[N@H+](CCOc1ccc(Cl)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434306517 567304067 /nfs/dbraw/zinc/30/40/67/567304067.db2.gz IACSUTNMSISBJM-INIZCTEOSA-N 1 1 375.881 3.389 20 30 GGEDMO C[N@@H+](CCOc1ccc(Cl)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434306517 567304072 /nfs/dbraw/zinc/30/40/72/567304072.db2.gz IACSUTNMSISBJM-INIZCTEOSA-N 1 1 375.881 3.389 20 30 GGEDMO C=CCn1c(SC[C@@H](O)C[N@H+](C)C2CC2)nnc1-c1cccc(Cl)c1 ZINC000685910172 567310385 /nfs/dbraw/zinc/31/03/85/567310385.db2.gz OKUZKJISACBSJJ-INIZCTEOSA-N 1 1 378.929 3.332 20 30 GGEDMO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000592149266 567317392 /nfs/dbraw/zinc/31/73/92/567317392.db2.gz LXSQOEPAFKJKEK-AEFFLSMTSA-N 1 1 382.291 3.007 20 30 GGEDMO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000592149266 567317399 /nfs/dbraw/zinc/31/73/99/567317399.db2.gz LXSQOEPAFKJKEK-AEFFLSMTSA-N 1 1 382.291 3.007 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1 ZINC000592156261 567318061 /nfs/dbraw/zinc/31/80/61/567318061.db2.gz WANIJQHGFPVJDV-KRWDZBQOSA-N 1 1 398.304 3.459 20 30 GGEDMO CC(C)COCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501028931 567359539 /nfs/dbraw/zinc/35/95/39/567359539.db2.gz MHALLSMAPGHXMY-GOSISDBHSA-N 1 1 380.330 3.304 20 30 GGEDMO CC(C)(C)OCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501040471 567359707 /nfs/dbraw/zinc/35/97/07/567359707.db2.gz QOGDASBOSDNSCQ-KRWDZBQOSA-N 1 1 380.330 3.446 20 30 GGEDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC(C)(C)C#N ZINC000456370944 567366998 /nfs/dbraw/zinc/36/69/98/567366998.db2.gz MXCSZFLRKAFGKG-CYBMUJFWSA-N 1 1 393.329 3.468 20 30 GGEDMO CC(C)(C)[N@H+]1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000569074131 567376962 /nfs/dbraw/zinc/37/69/62/567376962.db2.gz UZDKBHHNRRLISP-UHFFFAOYSA-N 1 1 394.313 3.032 20 30 GGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000501386724 567385411 /nfs/dbraw/zinc/38/54/11/567385411.db2.gz IQBCDYDBUBTRCH-OAHLLOKOSA-N 1 1 381.314 3.349 20 30 GGEDMO C=CC[N@@H+](CCC(=O)Nc1cc(C)on1)Cc1cc(Br)ccc1F ZINC000502164995 567421548 /nfs/dbraw/zinc/42/15/48/567421548.db2.gz HQXNGHKERMUPFU-UHFFFAOYSA-N 1 1 396.260 3.323 20 30 GGEDMO C=CC[N@H+](CCC(=O)Nc1cc(C)on1)Cc1cc(Br)ccc1F ZINC000502164995 567421553 /nfs/dbraw/zinc/42/15/53/567421553.db2.gz HQXNGHKERMUPFU-UHFFFAOYSA-N 1 1 396.260 3.323 20 30 GGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507147 567432183 /nfs/dbraw/zinc/43/21/83/567432183.db2.gz VWCUPMGLZGYOOS-SZMVWBNQSA-N 1 1 393.325 3.249 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccsc1 ZINC000619476122 567456985 /nfs/dbraw/zinc/45/69/85/567456985.db2.gz GBZHSDZYXBTNGK-GOSISDBHSA-N 1 1 377.535 3.176 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Br ZINC000594103933 567459745 /nfs/dbraw/zinc/45/97/45/567459745.db2.gz OUZZBTNFDRPHTQ-HZPDHXFCSA-N 1 1 377.286 3.459 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccccc1CC#N)c1ccsc1 ZINC000619572544 567466906 /nfs/dbraw/zinc/46/69/06/567466906.db2.gz JDUMEDSDLXBDLJ-KRWDZBQOSA-N 1 1 377.535 3.176 20 30 GGEDMO N#Cc1cc(Cl)c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000619777598 567479908 /nfs/dbraw/zinc/47/99/08/567479908.db2.gz NITWLOKZLPJBSO-CYBMUJFWSA-N 1 1 382.291 3.049 20 30 GGEDMO CN1CCC([N@@H+]2CC[C@H](Nc3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000594555631 567485526 /nfs/dbraw/zinc/48/55/26/567485526.db2.gz AZUNAHGCBMGIOG-ZDUSSCGKSA-N 1 1 381.293 3.040 20 30 GGEDMO CN1CCC([N@H+]2CC[C@H](Nc3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000594555631 567485531 /nfs/dbraw/zinc/48/55/31/567485531.db2.gz AZUNAHGCBMGIOG-ZDUSSCGKSA-N 1 1 381.293 3.040 20 30 GGEDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594752052 567506190 /nfs/dbraw/zinc/50/61/90/567506190.db2.gz IKYFBDQNZJRGHA-HNNXBMFYSA-N 1 1 377.535 3.092 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000594757643 567507920 /nfs/dbraw/zinc/50/79/20/567507920.db2.gz HMTNNIAJJFAHDU-LRDDRELGSA-N 1 1 377.535 3.042 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594753840 567508291 /nfs/dbraw/zinc/50/82/91/567508291.db2.gz FMZPNGZHBWDQRP-UHFFFAOYSA-N 1 1 375.519 3.010 20 30 GGEDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594773175 567510544 /nfs/dbraw/zinc/51/05/44/567510544.db2.gz WOXDHEIYFRDVBC-OAHLLOKOSA-N 1 1 377.535 3.186 20 30 GGEDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594773175 567510550 /nfs/dbraw/zinc/51/05/50/567510550.db2.gz WOXDHEIYFRDVBC-OAHLLOKOSA-N 1 1 377.535 3.186 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCCCC[N@H+](C)C1CC1 ZINC000594782717 567511692 /nfs/dbraw/zinc/51/16/92/567511692.db2.gz LQOFMPJDYLAYCS-UHFFFAOYSA-N 1 1 377.535 3.234 20 30 GGEDMO CC1(C)C[C@@H]([NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CO1 ZINC000595406419 567562620 /nfs/dbraw/zinc/56/26/20/567562620.db2.gz IZDBWDOEESZTEY-SJORKVTESA-N 1 1 378.314 3.199 20 30 GGEDMO Cc1ccc2c(ncc(C#N)c2NCCC[NH+]2CCOCC2)c1Br ZINC000479851441 567564293 /nfs/dbraw/zinc/56/42/93/567564293.db2.gz NQNIYUCLGPTRST-UHFFFAOYSA-N 1 1 389.297 3.312 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000595473077 567566398 /nfs/dbraw/zinc/56/63/98/567566398.db2.gz UEWUBZIRLKFUMO-QGZVFWFLSA-N 1 1 378.314 3.007 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000595473077 567566405 /nfs/dbraw/zinc/56/64/05/567566405.db2.gz UEWUBZIRLKFUMO-QGZVFWFLSA-N 1 1 378.314 3.007 20 30 GGEDMO O[C@H](C[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F)CC(F)(F)F ZINC000644677102 567569583 /nfs/dbraw/zinc/56/95/83/567569583.db2.gz MCZMXUKERMMGGQ-BYPYZUCNSA-N 1 1 384.089 3.408 20 30 GGEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614284 567573658 /nfs/dbraw/zinc/57/36/58/567573658.db2.gz JQFDWSRUBVVLHP-OCCSQVGLSA-N 1 1 387.705 3.468 20 30 GGEDMO N#Cc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000480225370 567590636 /nfs/dbraw/zinc/59/06/36/567590636.db2.gz GLZKUDNSZLEAMT-MRXNPFEDSA-N 1 1 391.290 3.329 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)c(Cl)c1 ZINC000530335244 567593585 /nfs/dbraw/zinc/59/35/85/567593585.db2.gz AZZZQYABCJOMKU-UHFFFAOYSA-N 1 1 382.693 3.174 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000530335772 567594032 /nfs/dbraw/zinc/59/40/32/567594032.db2.gz TVBOFWIIDPTPDU-OCCSQVGLSA-N 1 1 382.291 3.397 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000530335772 567594036 /nfs/dbraw/zinc/59/40/36/567594036.db2.gz TVBOFWIIDPTPDU-OCCSQVGLSA-N 1 1 382.291 3.397 20 30 GGEDMO COc1cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c(Br)cc1O ZINC000571930319 567599063 /nfs/dbraw/zinc/59/90/63/567599063.db2.gz OINLTCDLFKREDJ-UHFFFAOYSA-N 1 1 377.238 3.333 20 30 GGEDMO CC[C@H]1C[N@H+](CCNc2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000440635459 567635859 /nfs/dbraw/zinc/63/58/59/567635859.db2.gz HYUZLMAJUYACSM-AWEZNQCLSA-N 1 1 389.297 3.392 20 30 GGEDMO CC[C@H]1C[N@@H+](CCNc2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000440635459 567635863 /nfs/dbraw/zinc/63/58/63/567635863.db2.gz HYUZLMAJUYACSM-AWEZNQCLSA-N 1 1 389.297 3.392 20 30 GGEDMO N#Cc1ncn(CCNc2cc(C3CC3)[nH+]c3c(Br)cccc23)n1 ZINC000553645648 567673007 /nfs/dbraw/zinc/67/30/07/567673007.db2.gz BPPJHLYSXFQIMX-UHFFFAOYSA-N 1 1 383.253 3.450 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)CCOc1ccc(Br)cc1 ZINC000531841212 567682561 /nfs/dbraw/zinc/68/25/61/567682561.db2.gz WKDPKMGTGCHZIR-OAHLLOKOSA-N 1 1 396.329 3.158 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000531841212 567682568 /nfs/dbraw/zinc/68/25/68/567682568.db2.gz WKDPKMGTGCHZIR-OAHLLOKOSA-N 1 1 396.329 3.158 20 30 GGEDMO COc1cc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)ccc1C#N ZINC000442890247 567716339 /nfs/dbraw/zinc/71/63/39/567716339.db2.gz NZWAELXNFQSDEP-QGZVFWFLSA-N 1 1 375.266 3.495 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](CC)[C@H]2CCNC2=O)cc1OCC ZINC000442960497 567720221 /nfs/dbraw/zinc/72/02/21/567720221.db2.gz BLZRBZVETLYWMM-HNNXBMFYSA-N 1 1 397.313 3.123 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)[C@H]2CCNC2=O)cc1OCC ZINC000442960497 567720224 /nfs/dbraw/zinc/72/02/24/567720224.db2.gz BLZRBZVETLYWMM-HNNXBMFYSA-N 1 1 397.313 3.123 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000443041757 567727880 /nfs/dbraw/zinc/72/78/80/567727880.db2.gz XZNFJRNHICBOKF-OAHLLOKOSA-N 1 1 381.885 3.166 20 30 GGEDMO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)[N@@H+](C)Cc1ccccc1 ZINC000443075603 567728724 /nfs/dbraw/zinc/72/87/24/567728724.db2.gz BKCLNYVZDGISDA-CQSZACIVSA-N 1 1 377.897 3.010 20 30 GGEDMO C[N@@H+](CCCNS(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000443098217 567731164 /nfs/dbraw/zinc/73/11/64/567731164.db2.gz XAUWCDJVKNSDPY-UHFFFAOYSA-N 1 1 377.897 3.012 20 30 GGEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000443107774 567732813 /nfs/dbraw/zinc/73/28/13/567732813.db2.gz ZJKHTHFMXDBGNZ-OAHLLOKOSA-N 1 1 395.937 3.389 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccsc1 ZINC000443111390 567732947 /nfs/dbraw/zinc/73/29/47/567732947.db2.gz UENNSZXKDSRZMF-INIZCTEOSA-N 1 1 381.498 3.120 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598221940 567750042 /nfs/dbraw/zinc/75/00/42/567750042.db2.gz ZCLRLPWNXIXMJA-OAHLLOKOSA-N 1 1 376.298 3.458 20 30 GGEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000533095829 567752489 /nfs/dbraw/zinc/75/24/89/567752489.db2.gz WZXMMEUIHSKTJA-MRXNPFEDSA-N 1 1 398.315 3.446 20 30 GGEDMO Cc1cccc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1C#N ZINC000554924075 567756312 /nfs/dbraw/zinc/75/63/12/567756312.db2.gz VCCAOKHRZURGPT-QGZVFWFLSA-N 1 1 377.897 3.101 20 30 GGEDMO C[N@H+](CCOc1ccccc1Cl)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000533218768 567759004 /nfs/dbraw/zinc/75/90/04/567759004.db2.gz SOXAHFOOKRILHT-OAHLLOKOSA-N 1 1 375.881 3.389 20 30 GGEDMO C[N@@H+](CCOc1ccccc1Cl)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000533218768 567759009 /nfs/dbraw/zinc/75/90/09/567759009.db2.gz SOXAHFOOKRILHT-OAHLLOKOSA-N 1 1 375.881 3.389 20 30 GGEDMO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000598588289 567777574 /nfs/dbraw/zinc/77/75/74/567777574.db2.gz HQQXRUPGZRXAIG-CQSZACIVSA-N 1 1 384.307 3.052 20 30 GGEDMO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000598587531 567777779 /nfs/dbraw/zinc/77/77/79/567777779.db2.gz SLIGSJDKAAYWPS-INIZCTEOSA-N 1 1 384.307 3.052 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)c(C)c1)c1ccsc1 ZINC000443969187 567783681 /nfs/dbraw/zinc/78/36/81/567783681.db2.gz RUESCTKWBGAAFG-GOSISDBHSA-N 1 1 377.535 3.290 20 30 GGEDMO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ncc1Br ZINC000598972780 567802029 /nfs/dbraw/zinc/80/20/29/567802029.db2.gz XQDMQUISNMIVIL-SFHVURJKSA-N 1 1 399.292 3.309 20 30 GGEDMO Cc1c(O)ccc2c(C[N@H+]3CCCN(c4ccccc4C#N)CC3)cc(=O)oc12 ZINC000048375126 570249201 /nfs/dbraw/zinc/24/92/01/570249201.db2.gz KGWYFECYXJPEIW-UHFFFAOYSA-N 1 1 389.455 3.391 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328811 570315745 /nfs/dbraw/zinc/31/57/45/570315745.db2.gz MHGRJFQCCMDUDZ-AEFFLSMTSA-N 1 1 376.460 3.236 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328811 570315746 /nfs/dbraw/zinc/31/57/46/570315746.db2.gz MHGRJFQCCMDUDZ-AEFFLSMTSA-N 1 1 376.460 3.236 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000053662908 570328093 /nfs/dbraw/zinc/32/80/93/570328093.db2.gz ZZCQDJORFBGBGV-UHFFFAOYSA-N 1 1 383.879 3.325 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000053662908 570328095 /nfs/dbraw/zinc/32/80/95/570328095.db2.gz ZZCQDJORFBGBGV-UHFFFAOYSA-N 1 1 383.879 3.325 20 30 GGEDMO N#Cc1cccc(OCC[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000072293984 570496434 /nfs/dbraw/zinc/49/64/34/570496434.db2.gz AOVRWBCLEWIRLA-NRFANRHFSA-N 1 1 391.471 3.365 20 30 GGEDMO N#Cc1cccc(OCC[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000072293984 570496437 /nfs/dbraw/zinc/49/64/37/570496437.db2.gz AOVRWBCLEWIRLA-NRFANRHFSA-N 1 1 391.471 3.365 20 30 GGEDMO N#Cc1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1Cl ZINC000022933163 570629926 /nfs/dbraw/zinc/62/99/26/570629926.db2.gz SDCVIJFDBGRYRU-UHFFFAOYSA-N 1 1 382.895 3.358 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037213034 570848485 /nfs/dbraw/zinc/84/84/85/570848485.db2.gz JYQUFFCTWVHOBK-WMZOPIPTSA-N 1 1 376.460 3.236 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037213034 570848489 /nfs/dbraw/zinc/84/84/89/570848489.db2.gz JYQUFFCTWVHOBK-WMZOPIPTSA-N 1 1 376.460 3.236 20 30 GGEDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052801197 570908373 /nfs/dbraw/zinc/90/83/73/570908373.db2.gz HKXAKHOQMMVSCX-QGZVFWFLSA-N 1 1 378.476 3.106 20 30 GGEDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052801197 570908377 /nfs/dbraw/zinc/90/83/77/570908377.db2.gz HKXAKHOQMMVSCX-QGZVFWFLSA-N 1 1 378.476 3.106 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801218 570908817 /nfs/dbraw/zinc/90/88/17/570908817.db2.gz LKKCGOJJCSOTQD-HNNXBMFYSA-N 1 1 384.430 3.376 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801218 570908821 /nfs/dbraw/zinc/90/88/21/570908821.db2.gz LKKCGOJJCSOTQD-HNNXBMFYSA-N 1 1 384.430 3.376 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801219 570908881 /nfs/dbraw/zinc/90/88/81/570908881.db2.gz LKKCGOJJCSOTQD-OAHLLOKOSA-N 1 1 384.430 3.376 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801219 570908883 /nfs/dbraw/zinc/90/88/83/570908883.db2.gz LKKCGOJJCSOTQD-OAHLLOKOSA-N 1 1 384.430 3.376 20 30 GGEDMO C#CCC[NH+]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000084667758 571029764 /nfs/dbraw/zinc/02/97/64/571029764.db2.gz RCEFOSBCDQSRME-AWEZNQCLSA-N 1 1 378.398 3.457 20 30 GGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000735408911 598866168 /nfs/dbraw/zinc/86/61/68/598866168.db2.gz VBBATAUYGMAUCN-CYBMUJFWSA-N 1 1 388.541 3.422 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000828455691 601299039 /nfs/dbraw/zinc/29/90/39/601299039.db2.gz FFNLIDRWZWKEGJ-HYFFOGBASA-N 1 1 393.487 3.083 20 30 GGEDMO CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cs1 ZINC000830315589 601305126 /nfs/dbraw/zinc/30/51/26/601305126.db2.gz ZGMSZLBFSRSMBJ-FQEVSTJZSA-N 1 1 398.532 3.205 20 30 GGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819742857 606848349 /nfs/dbraw/zinc/84/83/49/606848349.db2.gz AVXGPDRYDARFHJ-HNNXBMFYSA-N 1 1 375.885 3.303 20 30 GGEDMO CC[N@@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C[C@@H](C)C#N ZINC000825435330 608598627 /nfs/dbraw/zinc/59/86/27/608598627.db2.gz UMOYPOAEQITFTN-INIZCTEOSA-N 1 1 376.464 3.427 20 30 GGEDMO CC[N@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C[C@@H](C)C#N ZINC000825435330 608598630 /nfs/dbraw/zinc/59/86/30/608598630.db2.gz UMOYPOAEQITFTN-INIZCTEOSA-N 1 1 376.464 3.427 20 30 GGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OCC)c(OC)c1 ZINC000823914962 608632197 /nfs/dbraw/zinc/63/21/97/608632197.db2.gz PXJUGLYFRWICIQ-UHFFFAOYSA-N 1 1 379.464 3.462 20 30 GGEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c(Br)c1 ZINC000826384691 609370032 /nfs/dbraw/zinc/37/00/32/609370032.db2.gz FYHFJCIXQHBQCY-UHFFFAOYSA-N 1 1 395.264 3.280 20 30 GGEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(-c4nn[nH]n4)cc3Br)CC2)c1 ZINC000826386861 609370044 /nfs/dbraw/zinc/37/00/44/609370044.db2.gz VRQRHKVQSDJKRO-UHFFFAOYSA-N 1 1 395.264 3.280 20 30 GGEDMO CC(C)c1nc(-c2nn[nH]n2)c(N=NC(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000823961908 609516209 /nfs/dbraw/zinc/51/62/09/609516209.db2.gz CALHAMLBDZSDMW-INIZCTEOSA-N 1 1 394.483 3.288 20 30 GGEDMO CC(C)c1nc(-c2nn[nH]n2)c(N=NC(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000823961908 609516211 /nfs/dbraw/zinc/51/62/11/609516211.db2.gz CALHAMLBDZSDMW-INIZCTEOSA-N 1 1 394.483 3.288 20 30 GGEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993783 1406253073 /nfs/dbraw/zinc/25/30/73/1406253073.db2.gz BZHTWMWYXGVAHO-LBPRGKRZSA-N 1 1 390.871 3.061 20 30 GGEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052993784 1406253124 /nfs/dbraw/zinc/25/31/24/1406253124.db2.gz BZHTWMWYXGVAHO-GFCCVEGCSA-N 1 1 390.871 3.061 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000053099538 1406290967 /nfs/dbraw/zinc/29/09/67/1406290967.db2.gz ZVIRYPATZFWENG-SFHVURJKSA-N 1 1 382.533 3.201 20 30 GGEDMO N#Cc1ccccc1CN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000053150594 1406308346 /nfs/dbraw/zinc/30/83/46/1406308346.db2.gz RFPSUOVABKKLQR-UHFFFAOYSA-N 1 1 393.516 3.420 20 30 GGEDMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000053419982 1406390054 /nfs/dbraw/zinc/39/00/54/1406390054.db2.gz PRCHEDUZUPSHSD-NRFANRHFSA-N 1 1 379.504 3.225 20 30 GGEDMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000053419983 1406390430 /nfs/dbraw/zinc/39/04/30/1406390430.db2.gz PRCHEDUZUPSHSD-OAQYLSRUSA-N 1 1 379.504 3.225 20 30 GGEDMO COC(=O)c1sc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1Cl ZINC000053554445 1406441688 /nfs/dbraw/zinc/44/16/88/1406441688.db2.gz MQMSKLKOQFGIAG-UHFFFAOYSA-N 1 1 390.896 3.167 20 30 GGEDMO Cc1noc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)n1 ZINC000053639717 1406467525 /nfs/dbraw/zinc/46/75/25/1406467525.db2.gz XRVFFRBTJHOZIK-INIZCTEOSA-N 1 1 381.480 3.201 20 30 GGEDMO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000053772481 1406506597 /nfs/dbraw/zinc/50/65/97/1406506597.db2.gz LTHJOXZXPYMSLT-KRWDZBQOSA-N 1 1 378.476 3.106 20 30 GGEDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000053772481 1406506611 /nfs/dbraw/zinc/50/66/11/1406506611.db2.gz LTHJOXZXPYMSLT-KRWDZBQOSA-N 1 1 378.476 3.106 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223813 1406657063 /nfs/dbraw/zinc/65/70/63/1406657063.db2.gz XILCRSYGSBHVFX-GHTZIAJQSA-N 1 1 393.535 3.298 20 30 GGEDMO COC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 ZINC000054256980 1406667530 /nfs/dbraw/zinc/66/75/30/1406667530.db2.gz GGWXZTQDOWXZKT-UHFFFAOYSA-N 1 1 384.455 3.154 20 30 GGEDMO CC[N@@H+](CC(=O)N1CCN(Cc2cccs2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340806 1406696013 /nfs/dbraw/zinc/69/60/13/1406696013.db2.gz DYWHMHLAKBXTPX-GOSISDBHSA-N 1 1 396.560 3.347 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000054454772 1406741610 /nfs/dbraw/zinc/74/16/10/1406741610.db2.gz CDQYIRBGDYCIIJ-UHFFFAOYSA-N 1 1 388.515 3.045 20 30 GGEDMO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000054454773 1406741843 /nfs/dbraw/zinc/74/18/43/1406741843.db2.gz FKLRXYLPTLPOHB-KNKQGSTJSA-N 1 1 382.552 3.007 20 30 GGEDMO C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000054642647 1406792859 /nfs/dbraw/zinc/79/28/59/1406792859.db2.gz RFIWVMOTRKEQBN-IBGZPJMESA-N 1 1 388.515 3.044 20 30 GGEDMO Cc1noc([C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000054677218 1406803341 /nfs/dbraw/zinc/80/33/41/1406803341.db2.gz QNAPJNUEHONEJY-AWEZNQCLSA-N 1 1 399.520 3.398 20 30 GGEDMO N#CCCN(C(=O)CN1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000054992851 1406866873 /nfs/dbraw/zinc/86/68/73/1406866873.db2.gz NUMRLNKADJVYDK-UHFFFAOYSA-N 1 1 376.504 3.141 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055030449 1406873586 /nfs/dbraw/zinc/87/35/86/1406873586.db2.gz FOLRJHLNYAACCG-INIZCTEOSA-N 1 1 391.475 3.171 20 30 GGEDMO N#CCCN(C(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000055106186 1406886451 /nfs/dbraw/zinc/88/64/51/1406886451.db2.gz DQKBTFZVRWVYDF-UHFFFAOYSA-N 1 1 394.494 3.280 20 30 GGEDMO C[C@H](C(=O)NCC1CCCCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172153 1406897520 /nfs/dbraw/zinc/89/75/20/1406897520.db2.gz WLPPSQHQIHPULK-LJQANCHMSA-N 1 1 382.552 3.151 20 30 GGEDMO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172153 1406897526 /nfs/dbraw/zinc/89/75/26/1406897526.db2.gz WLPPSQHQIHPULK-LJQANCHMSA-N 1 1 382.552 3.151 20 30 GGEDMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172153 1406897529 /nfs/dbraw/zinc/89/75/29/1406897529.db2.gz WLPPSQHQIHPULK-LJQANCHMSA-N 1 1 382.552 3.151 20 30 GGEDMO C[C@@H](C(=O)NCC1CCCCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172150 1406897596 /nfs/dbraw/zinc/89/75/96/1406897596.db2.gz WLPPSQHQIHPULK-IBGZPJMESA-N 1 1 382.552 3.151 20 30 GGEDMO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172150 1406897602 /nfs/dbraw/zinc/89/76/02/1406897602.db2.gz WLPPSQHQIHPULK-IBGZPJMESA-N 1 1 382.552 3.151 20 30 GGEDMO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172150 1406897606 /nfs/dbraw/zinc/89/76/06/1406897606.db2.gz WLPPSQHQIHPULK-IBGZPJMESA-N 1 1 382.552 3.151 20 30 GGEDMO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000055277777 1406918739 /nfs/dbraw/zinc/91/87/39/1406918739.db2.gz MDOUQUCJTXLJPS-HXUWFJFHSA-N 1 1 399.516 3.072 20 30 GGEDMO CCc1cccc(OCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000055294155 1406922768 /nfs/dbraw/zinc/92/27/68/1406922768.db2.gz MXASYEIPJVMQRF-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO CCc1cccc(OCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000055294155 1406922777 /nfs/dbraw/zinc/92/27/77/1406922777.db2.gz MXASYEIPJVMQRF-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000055427961 1406960744 /nfs/dbraw/zinc/96/07/44/1406960744.db2.gz OKCYOULBVQOSAG-UHFFFAOYSA-N 1 1 384.483 3.383 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012981789 1399070404 /nfs/dbraw/zinc/07/04/04/1399070404.db2.gz JYQUFFCTWVHOBK-FUHWJXTLSA-N 1 1 376.460 3.236 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012981789 1399070405 /nfs/dbraw/zinc/07/04/05/1399070405.db2.gz JYQUFFCTWVHOBK-FUHWJXTLSA-N 1 1 376.460 3.236 20 30 GGEDMO COc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000015347751 1399156108 /nfs/dbraw/zinc/15/61/08/1399156108.db2.gz DBCZJZBDADJZOP-NRFANRHFSA-N 1 1 399.516 3.072 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000176270833 1428210293 /nfs/dbraw/zinc/21/02/93/1428210293.db2.gz ASLURTRINGTJJX-GOSISDBHSA-N 1 1 386.542 3.446 20 30 GGEDMO COc1ccc([C@H](CNS(=O)(=O)c2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000016084749 1399207976 /nfs/dbraw/zinc/20/79/76/1399207976.db2.gz PLVDATVHRQIQJQ-FQEVSTJZSA-N 1 1 399.516 3.072 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000176270833 1428210307 /nfs/dbraw/zinc/21/03/07/1428210307.db2.gz ASLURTRINGTJJX-GOSISDBHSA-N 1 1 386.542 3.446 20 30 GGEDMO C=CCc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000016202671 1399221640 /nfs/dbraw/zinc/22/16/40/1399221640.db2.gz GVKQVFUTKKLZJL-UHFFFAOYSA-N 1 1 380.488 3.390 20 30 GGEDMO CCN(CC)C(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016396978 1399237532 /nfs/dbraw/zinc/23/75/32/1399237532.db2.gz CMCRWCNMYZQQBS-UHFFFAOYSA-N 1 1 390.553 3.017 20 30 GGEDMO C=CCc1cc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000021062539 1399363140 /nfs/dbraw/zinc/36/31/40/1399363140.db2.gz WTFYTGYUFBXZQY-IYBDPMFKSA-N 1 1 390.524 3.050 20 30 GGEDMO C=CCc1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000021062539 1399363150 /nfs/dbraw/zinc/36/31/50/1399363150.db2.gz WTFYTGYUFBXZQY-IYBDPMFKSA-N 1 1 390.524 3.050 20 30 GGEDMO CCc1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000021404676 1399378177 /nfs/dbraw/zinc/37/81/77/1399378177.db2.gz YIMLGUFMBJJNMO-UHFFFAOYSA-N 1 1 376.504 3.267 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000021405276 1399378589 /nfs/dbraw/zinc/37/85/89/1399378589.db2.gz PYUDMCJTNTZDHK-UHFFFAOYSA-N 1 1 391.450 3.455 20 30 GGEDMO C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406194 1399378782 /nfs/dbraw/zinc/37/87/82/1399378782.db2.gz FRLKNLZWGRHABX-MRXNPFEDSA-N 1 1 398.457 3.371 20 30 GGEDMO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406225 1399378813 /nfs/dbraw/zinc/37/88/13/1399378813.db2.gz FABFCZSZFDKHEF-INIZCTEOSA-N 1 1 398.457 3.371 20 30 GGEDMO C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406177 1399378853 /nfs/dbraw/zinc/37/88/53/1399378853.db2.gz GUPGQJXLDDWTDH-MRXNPFEDSA-N 1 1 397.910 3.142 20 30 GGEDMO COc1ccccc1[C@H](C)NC(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000022184980 1399442304 /nfs/dbraw/zinc/44/23/04/1399442304.db2.gz LUGMNBMROCTRKM-HIGJEIRPSA-N 1 1 385.508 3.378 20 30 GGEDMO Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)n2c3ccccc3nc2c1C#N ZINC000022535118 1399473295 /nfs/dbraw/zinc/47/32/95/1399473295.db2.gz BMQPUEMBFUXARW-UHFFFAOYSA-N 1 1 382.471 3.385 20 30 GGEDMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)c1 ZINC000022773825 1399500329 /nfs/dbraw/zinc/50/03/29/1399500329.db2.gz SICQIMXFXYIUHW-UHFFFAOYSA-N 1 1 394.544 3.367 20 30 GGEDMO N#Cc1ccsc1NC(=O)CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000022844895 1399510208 /nfs/dbraw/zinc/51/02/08/1399510208.db2.gz FXIWLROUXGHWLN-UHFFFAOYSA-N 1 1 388.924 3.420 20 30 GGEDMO N#Cc1ccsc1NC(=O)CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000022844895 1399510219 /nfs/dbraw/zinc/51/02/19/1399510219.db2.gz FXIWLROUXGHWLN-UHFFFAOYSA-N 1 1 388.924 3.420 20 30 GGEDMO N#CCCN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000022835708 1399510479 /nfs/dbraw/zinc/51/04/79/1399510479.db2.gz HOHBAJNEFCCCNH-UHFFFAOYSA-N 1 1 396.922 3.404 20 30 GGEDMO CCN(C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000022850747 1399511091 /nfs/dbraw/zinc/51/10/91/1399511091.db2.gz HCVNJCNBWAXWQV-UHFFFAOYSA-N 1 1 376.504 3.119 20 30 GGEDMO CC(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000023084557 1399531809 /nfs/dbraw/zinc/53/18/09/1399531809.db2.gz VHEOLWKQFQWXDU-UHFFFAOYSA-N 1 1 382.533 3.499 20 30 GGEDMO COCC[NH+]1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)CC1 ZINC000023353286 1399552327 /nfs/dbraw/zinc/55/23/27/1399552327.db2.gz PETRHNZKVDJIGQ-UHFFFAOYSA-N 1 1 399.520 3.143 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023354387 1399552570 /nfs/dbraw/zinc/55/25/70/1399552570.db2.gz MVOGPXXHKKARFL-HXUWFJFHSA-N 1 1 376.504 3.140 20 30 GGEDMO COc1cc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)ccc1OC(F)F ZINC000023408731 1399557354 /nfs/dbraw/zinc/55/73/54/1399557354.db2.gz NAAVRHNPGAXHIK-INIZCTEOSA-N 1 1 392.402 3.040 20 30 GGEDMO CCOc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023450746 1399562113 /nfs/dbraw/zinc/56/21/13/1399562113.db2.gz UVAGULPHWCRGLG-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000023451076 1399562190 /nfs/dbraw/zinc/56/21/90/1399562190.db2.gz WQQHMTIMZMYECD-UHFFFAOYSA-N 1 1 387.487 3.102 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000023753350 1399583475 /nfs/dbraw/zinc/58/34/75/1399583475.db2.gz ZVUVZIIOTUSEML-UHFFFAOYSA-N 1 1 399.441 3.437 20 30 GGEDMO CN(C)c1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023753507 1399583557 /nfs/dbraw/zinc/58/35/57/1399583557.db2.gz HTRWCEQNNYBLAA-UHFFFAOYSA-N 1 1 390.531 3.291 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000024050669 1399599113 /nfs/dbraw/zinc/59/91/13/1399599113.db2.gz OSTZKFOWUHELDJ-UHFFFAOYSA-N 1 1 385.471 3.092 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000024050669 1399599115 /nfs/dbraw/zinc/59/91/15/1399599115.db2.gz OSTZKFOWUHELDJ-UHFFFAOYSA-N 1 1 385.471 3.092 20 30 GGEDMO C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000024663933 1399654096 /nfs/dbraw/zinc/65/40/96/1399654096.db2.gz LKVAZCRJNIMWCL-KRWDZBQOSA-N 1 1 381.451 3.199 20 30 GGEDMO C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000024663933 1399654099 /nfs/dbraw/zinc/65/40/99/1399654099.db2.gz LKVAZCRJNIMWCL-KRWDZBQOSA-N 1 1 381.451 3.199 20 30 GGEDMO Cc1nc(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000024834459 1399677651 /nfs/dbraw/zinc/67/76/51/1399677651.db2.gz DJBQZEYMOVENEX-IBGZPJMESA-N 1 1 394.544 3.361 20 30 GGEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025034212 1399721427 /nfs/dbraw/zinc/72/14/27/1399721427.db2.gz ZTFHOCWRJHWSMZ-UHFFFAOYSA-N 1 1 392.912 3.141 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)Cc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000025117305 1399748775 /nfs/dbraw/zinc/74/87/75/1399748775.db2.gz QQSQFEDEOGFMOU-HDICACEKSA-N 1 1 377.488 3.440 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)Cc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000025117305 1399748791 /nfs/dbraw/zinc/74/87/91/1399748791.db2.gz QQSQFEDEOGFMOU-HDICACEKSA-N 1 1 377.488 3.440 20 30 GGEDMO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000025226666 1399775576 /nfs/dbraw/zinc/77/55/76/1399775576.db2.gz HRNAPTMFDUZXLI-HSZRJFAPSA-N 1 1 393.531 3.041 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000025234411 1399777444 /nfs/dbraw/zinc/77/74/44/1399777444.db2.gz PGLJNGNQTYHVCR-XMSQKQJNSA-N 1 1 392.503 3.429 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025421451 1399807247 /nfs/dbraw/zinc/80/72/47/1399807247.db2.gz VJZOVKBRRFTWLF-IBGZPJMESA-N 1 1 394.494 3.279 20 30 GGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025421172 1399807352 /nfs/dbraw/zinc/80/73/52/1399807352.db2.gz ISTVCZNGAYPMET-MRXNPFEDSA-N 1 1 394.544 3.253 20 30 GGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025421542 1399807806 /nfs/dbraw/zinc/80/78/06/1399807806.db2.gz VSGPSWGOHVUZTO-LRZVDXDASA-N 1 1 382.552 3.124 20 30 GGEDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COc2ccc(C#N)cc2Cl)CC1 ZINC000025801276 1399837424 /nfs/dbraw/zinc/83/74/24/1399837424.db2.gz CVOSJLXEECOIRJ-INIZCTEOSA-N 1 1 383.879 3.496 20 30 GGEDMO C[N@H+](CCOc1ccccc1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026183550 1399867551 /nfs/dbraw/zinc/86/75/51/1399867551.db2.gz MUEGEXFEUQSXNI-UHFFFAOYSA-N 1 1 390.405 3.184 20 30 GGEDMO C[N@@H+](CCOc1ccccc1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000026183550 1399867553 /nfs/dbraw/zinc/86/75/53/1399867553.db2.gz MUEGEXFEUQSXNI-UHFFFAOYSA-N 1 1 390.405 3.184 20 30 GGEDMO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000026207247 1399868841 /nfs/dbraw/zinc/86/88/41/1399868841.db2.gz XQRNPHOGWCTFSN-INIZCTEOSA-N 1 1 387.524 3.363 20 30 GGEDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000026227956 1399871499 /nfs/dbraw/zinc/87/14/99/1399871499.db2.gz CCZLDWJICNHCRF-UHFFFAOYSA-N 1 1 378.476 3.383 20 30 GGEDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000026227956 1399871501 /nfs/dbraw/zinc/87/15/01/1399871501.db2.gz CCZLDWJICNHCRF-UHFFFAOYSA-N 1 1 378.476 3.383 20 30 GGEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000026299000 1399876404 /nfs/dbraw/zinc/87/64/04/1399876404.db2.gz PKAIWDUXNLYKLJ-AWEZNQCLSA-N 1 1 394.866 3.424 20 30 GGEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000026299000 1399876408 /nfs/dbraw/zinc/87/64/08/1399876408.db2.gz PKAIWDUXNLYKLJ-AWEZNQCLSA-N 1 1 394.866 3.424 20 30 GGEDMO COCC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000026448287 1399890820 /nfs/dbraw/zinc/89/08/20/1399890820.db2.gz YTTWRCCAWUDQMQ-UHFFFAOYSA-N 1 1 382.426 3.064 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026463838 1399892330 /nfs/dbraw/zinc/89/23/30/1399892330.db2.gz PNKJZUYIELNQHE-MRXNPFEDSA-N 1 1 382.895 3.356 20 30 GGEDMO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@H]1COc2ccccc2O1 ZINC000026664046 1399916310 /nfs/dbraw/zinc/91/63/10/1399916310.db2.gz DBCSBYJKVXOYGL-SFHVURJKSA-N 1 1 385.508 3.223 20 30 GGEDMO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@H]1COc2ccccc2O1 ZINC000026664046 1399916321 /nfs/dbraw/zinc/91/63/21/1399916321.db2.gz DBCSBYJKVXOYGL-SFHVURJKSA-N 1 1 385.508 3.223 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000027124766 1399987859 /nfs/dbraw/zinc/98/78/59/1399987859.db2.gz RZBDFKLLZVVCMQ-UHFFFAOYSA-N 1 1 382.508 3.001 20 30 GGEDMO C#CCNC(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000027375772 1400027308 /nfs/dbraw/zinc/02/73/08/1400027308.db2.gz HXEINIDDARREII-UHFFFAOYSA-N 1 1 386.499 3.337 20 30 GGEDMO C#CCNC(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000027375772 1400027321 /nfs/dbraw/zinc/02/73/21/1400027321.db2.gz HXEINIDDARREII-UHFFFAOYSA-N 1 1 386.499 3.337 20 30 GGEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)c(C#N)c1C ZINC000027511774 1400049995 /nfs/dbraw/zinc/04/99/95/1400049995.db2.gz IJCCURDXKZPWFI-MRXNPFEDSA-N 1 1 396.491 3.064 20 30 GGEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)c(C#N)c1C ZINC000027511774 1400050001 /nfs/dbraw/zinc/05/00/01/1400050001.db2.gz IJCCURDXKZPWFI-MRXNPFEDSA-N 1 1 396.491 3.064 20 30 GGEDMO CN(C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000027571455 1400059631 /nfs/dbraw/zinc/05/96/31/1400059631.db2.gz CLNZVHNRCLFRSQ-SFHVURJKSA-N 1 1 382.508 3.022 20 30 GGEDMO C=CC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC000027777454 1400091883 /nfs/dbraw/zinc/09/18/83/1400091883.db2.gz YPOSQLZWGKHGGH-UHFFFAOYSA-N 1 1 391.515 3.227 20 30 GGEDMO C=CC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC000027777454 1400091890 /nfs/dbraw/zinc/09/18/90/1400091890.db2.gz YPOSQLZWGKHGGH-UHFFFAOYSA-N 1 1 391.515 3.227 20 30 GGEDMO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000027905404 1400104204 /nfs/dbraw/zinc/10/42/04/1400104204.db2.gz SUGCIEAKMCBRAK-INIZCTEOSA-N 1 1 387.524 3.363 20 30 GGEDMO Cc1cccc(C[NH+]2CCN(C(=O)COc3ccc(C#N)cc3Cl)CC2)c1 ZINC000028141621 1400132776 /nfs/dbraw/zinc/13/27/76/1400132776.db2.gz FSORZYCMRICSDN-UHFFFAOYSA-N 1 1 383.879 3.243 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000028264402 1400144514 /nfs/dbraw/zinc/14/45/14/1400144514.db2.gz OWJNQIKRDDFDPX-OAQYLSRUSA-N 1 1 399.922 3.159 20 30 GGEDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000028322865 1400151192 /nfs/dbraw/zinc/15/11/92/1400151192.db2.gz LSWSDHCQPAWWRU-UHFFFAOYSA-N 1 1 377.488 3.405 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)C2=O)cc1 ZINC000028749677 1400191384 /nfs/dbraw/zinc/19/13/84/1400191384.db2.gz FKOZJFAMTHFYQT-GHTZIAJQSA-N 1 1 388.471 3.014 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 ZINC000028748763 1400191455 /nfs/dbraw/zinc/19/14/55/1400191455.db2.gz SBUFXNKABSWSHC-OAQYLSRUSA-N 1 1 388.471 3.014 20 30 GGEDMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000028918232 1400210853 /nfs/dbraw/zinc/21/08/53/1400210853.db2.gz YESOIINQNHGYMW-INIZCTEOSA-N 1 1 380.366 3.329 20 30 GGEDMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000028918230 1400210912 /nfs/dbraw/zinc/21/09/12/1400210912.db2.gz YESOIINQNHGYMW-MRXNPFEDSA-N 1 1 380.366 3.329 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000028960403 1400216836 /nfs/dbraw/zinc/21/68/36/1400216836.db2.gz DBAJGIMZMPZHLL-UHFFFAOYSA-N 1 1 382.895 3.358 20 30 GGEDMO C=CCOc1ccccc1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000029163685 1400252253 /nfs/dbraw/zinc/25/22/53/1400252253.db2.gz JNCLYJIHFOGULX-UHFFFAOYSA-N 1 1 393.531 3.189 20 30 GGEDMO N#CCOc1ccc(/C=C/C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000029781362 1400351632 /nfs/dbraw/zinc/35/16/32/1400351632.db2.gz ZVNBRUUDGXPFMQ-FMIVXFBMSA-N 1 1 375.472 3.337 20 30 GGEDMO Cc1cc(C)cc(OCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000029983830 1400391722 /nfs/dbraw/zinc/39/17/22/1400391722.db2.gz AUDCPLTWGZLVJK-UHFFFAOYSA-N 1 1 377.488 3.288 20 30 GGEDMO Cc1cc(C)cc(OCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000029983830 1400391730 /nfs/dbraw/zinc/39/17/30/1400391730.db2.gz AUDCPLTWGZLVJK-UHFFFAOYSA-N 1 1 377.488 3.288 20 30 GGEDMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1 ZINC000029985574 1400391892 /nfs/dbraw/zinc/39/18/92/1400391892.db2.gz RSEJASUBPMWDSQ-UHFFFAOYSA-N 1 1 399.498 3.401 20 30 GGEDMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1 ZINC000029985574 1400391902 /nfs/dbraw/zinc/39/19/02/1400391902.db2.gz RSEJASUBPMWDSQ-UHFFFAOYSA-N 1 1 399.498 3.401 20 30 GGEDMO CCc1ccc(OCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029983857 1400391962 /nfs/dbraw/zinc/39/19/62/1400391962.db2.gz YIVMFXGTQOFAPB-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO CCc1ccc(OCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029983857 1400391972 /nfs/dbraw/zinc/39/19/72/1400391972.db2.gz YIVMFXGTQOFAPB-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO CC[N@@H+](C[C@@H](O)COc1ccc(C(=O)OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741797 1400407053 /nfs/dbraw/zinc/40/70/53/1400407053.db2.gz IGTRVSJFIQTCST-OXJNMPFZSA-N 1 1 382.460 3.168 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741689 1400407073 /nfs/dbraw/zinc/40/70/73/1400407073.db2.gz ZSGDLHATSSHVRD-MRXNPFEDSA-N 1 1 378.476 3.282 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741689 1400407076 /nfs/dbraw/zinc/40/70/76/1400407076.db2.gz ZSGDLHATSSHVRD-MRXNPFEDSA-N 1 1 378.476 3.282 20 30 GGEDMO CC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741842 1400407347 /nfs/dbraw/zinc/40/73/47/1400407347.db2.gz QJQFWJLRFIUJKQ-AWEZNQCLSA-N 1 1 394.431 3.018 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCC(=O)NC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000055870034 1407110292 /nfs/dbraw/zinc/11/02/92/1407110292.db2.gz NPTOYSMYTLBAIR-HDICACEKSA-N 1 1 384.524 3.050 20 30 GGEDMO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000055996705 1407165880 /nfs/dbraw/zinc/16/58/80/1407165880.db2.gz CGQHTOKSWHOLGC-FCHUYYIVSA-N 1 1 375.472 3.494 20 30 GGEDMO COc1ccccc1CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043294219 1403742913 /nfs/dbraw/zinc/74/29/13/1403742913.db2.gz ZQLZGQNLHWDGGF-UHFFFAOYSA-N 1 1 392.503 3.027 20 30 GGEDMO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000056553248 1407358887 /nfs/dbraw/zinc/35/88/87/1407358887.db2.gz OBYASAXZRIYRFJ-GOSISDBHSA-N 1 1 382.464 3.390 20 30 GGEDMO COc1cc(F)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000044235577 1403905159 /nfs/dbraw/zinc/90/51/59/1403905159.db2.gz PEBRSWJHAWIEIP-UHFFFAOYSA-N 1 1 382.439 3.446 20 30 GGEDMO COc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000044235577 1403905164 /nfs/dbraw/zinc/90/51/64/1403905164.db2.gz PEBRSWJHAWIEIP-UHFFFAOYSA-N 1 1 382.439 3.446 20 30 GGEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000045004544 1404035310 /nfs/dbraw/zinc/03/53/10/1404035310.db2.gz PNLZIWTZLGGXFU-AZUAARDMSA-N 1 1 382.460 3.152 20 30 GGEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1C(C)(C)C ZINC000045013946 1404037488 /nfs/dbraw/zinc/03/74/88/1404037488.db2.gz DCJUHPONVKLMCF-UHFFFAOYSA-N 1 1 379.508 3.166 20 30 GGEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1C(C)(C)C ZINC000045013946 1404037492 /nfs/dbraw/zinc/03/74/92/1404037492.db2.gz DCJUHPONVKLMCF-UHFFFAOYSA-N 1 1 379.508 3.166 20 30 GGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045378020 1404109801 /nfs/dbraw/zinc/10/98/01/1404109801.db2.gz QAZRPUXDXZHCFA-HDICACEKSA-N 1 1 386.540 3.368 20 30 GGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045378020 1404109806 /nfs/dbraw/zinc/10/98/06/1404109806.db2.gz QAZRPUXDXZHCFA-HDICACEKSA-N 1 1 386.540 3.368 20 30 GGEDMO CCOc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000045883939 1404234892 /nfs/dbraw/zinc/23/48/92/1404234892.db2.gz MNSWCFUPLSEZPL-UHFFFAOYSA-N 1 1 392.503 3.374 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(OCC#N)c3)cc2)C[C@H](C)O1 ZINC000046063874 1404286868 /nfs/dbraw/zinc/28/68/68/1404286868.db2.gz HCLPQMJFFBHTQU-IRXDYDNUSA-N 1 1 379.460 3.450 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(OCC#N)c3)cc2)C[C@@H](C)O1 ZINC000046063877 1404287017 /nfs/dbraw/zinc/28/70/17/1404287017.db2.gz HCLPQMJFFBHTQU-IAGOWNOFSA-N 1 1 379.460 3.450 20 30 GGEDMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086620 1404293298 /nfs/dbraw/zinc/29/32/98/1404293298.db2.gz DNUBZOJMGQPWSH-UHFFFAOYSA-N 1 1 394.494 3.258 20 30 GGEDMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086620 1404293300 /nfs/dbraw/zinc/29/33/00/1404293300.db2.gz DNUBZOJMGQPWSH-UHFFFAOYSA-N 1 1 394.494 3.258 20 30 GGEDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2-c2ccccc2C#N)C[C@H](C)O1 ZINC000046327660 1404365111 /nfs/dbraw/zinc/36/51/11/1404365111.db2.gz QWHHUYRURSZMIM-HDICACEKSA-N 1 1 377.488 3.454 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000046437290 1404414725 /nfs/dbraw/zinc/41/47/25/1404414725.db2.gz CWSJOJAQSGWNAK-HDICACEKSA-N 1 1 377.488 3.440 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000046437290 1404414731 /nfs/dbraw/zinc/41/47/31/1404414731.db2.gz CWSJOJAQSGWNAK-HDICACEKSA-N 1 1 377.488 3.440 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000046437292 1404414952 /nfs/dbraw/zinc/41/49/52/1404414952.db2.gz CWSJOJAQSGWNAK-QZTJIDSGSA-N 1 1 377.488 3.440 20 30 GGEDMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046527708 1404464466 /nfs/dbraw/zinc/46/44/66/1404464466.db2.gz ZNFUUJUCTGRAHL-UHFFFAOYSA-N 1 1 381.476 3.056 20 30 GGEDMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046527708 1404464472 /nfs/dbraw/zinc/46/44/72/1404464472.db2.gz ZNFUUJUCTGRAHL-UHFFFAOYSA-N 1 1 381.476 3.056 20 30 GGEDMO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000046529652 1404465297 /nfs/dbraw/zinc/46/52/97/1404465297.db2.gz ZISKKABKMZBFOL-UHFFFAOYSA-N 1 1 385.389 3.177 20 30 GGEDMO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000046529652 1404465301 /nfs/dbraw/zinc/46/53/01/1404465301.db2.gz ZISKKABKMZBFOL-UHFFFAOYSA-N 1 1 385.389 3.177 20 30 GGEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046530164 1404465610 /nfs/dbraw/zinc/46/56/10/1404465610.db2.gz QNSXIMYZUPUZLD-JKSUJKDBSA-N 1 1 379.460 3.027 20 30 GGEDMO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046530164 1404465617 /nfs/dbraw/zinc/46/56/17/1404465617.db2.gz QNSXIMYZUPUZLD-JKSUJKDBSA-N 1 1 379.460 3.027 20 30 GGEDMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000046530233 1404465702 /nfs/dbraw/zinc/46/57/02/1404465702.db2.gz NDYJSPPYIRENPE-MRXNPFEDSA-N 1 1 381.476 3.054 20 30 GGEDMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000046530233 1404465723 /nfs/dbraw/zinc/46/57/23/1404465723.db2.gz NDYJSPPYIRENPE-MRXNPFEDSA-N 1 1 381.476 3.054 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000046796115 1404592302 /nfs/dbraw/zinc/59/23/02/1404592302.db2.gz ONWPXHJMJAVCBP-FQEVSTJZSA-N 1 1 393.487 3.117 20 30 GGEDMO C=CCN(Cc1ccccc1)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000046866281 1404617912 /nfs/dbraw/zinc/61/79/12/1404617912.db2.gz VGQREQQUENGUQZ-UHFFFAOYSA-N 1 1 396.510 3.346 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000047128632 1404715788 /nfs/dbraw/zinc/71/57/88/1404715788.db2.gz KDEVHMLJTGUQFE-IRXDYDNUSA-N 1 1 378.476 3.489 20 30 GGEDMO N#Cc1cccc(NC(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000047338239 1404810992 /nfs/dbraw/zinc/81/09/92/1404810992.db2.gz KQXKITUIMHICAU-UHFFFAOYSA-N 1 1 391.519 3.278 20 30 GGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000047726350 1404905559 /nfs/dbraw/zinc/90/55/59/1404905559.db2.gz FHDMCYQLSFWINZ-NRFANRHFSA-N 1 1 381.476 3.169 20 30 GGEDMO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000047792717 1404947369 /nfs/dbraw/zinc/94/73/69/1404947369.db2.gz KPCNULSJKPLOIA-INIZCTEOSA-N 1 1 379.382 3.252 20 30 GGEDMO N#Cc1ccccc1CSCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047960256 1405010408 /nfs/dbraw/zinc/01/04/08/1405010408.db2.gz QKYRSJFXMSCUOQ-NRFANRHFSA-N 1 1 394.544 3.365 20 30 GGEDMO COC(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048007951 1405023569 /nfs/dbraw/zinc/02/35/69/1405023569.db2.gz YHKVXHIUTPZDBB-UHFFFAOYSA-N 1 1 392.459 3.085 20 30 GGEDMO COC(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048007951 1405023579 /nfs/dbraw/zinc/02/35/79/1405023579.db2.gz YHKVXHIUTPZDBB-UHFFFAOYSA-N 1 1 392.459 3.085 20 30 GGEDMO COc1ccccc1[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[NH+](C)C ZINC000048087309 1405050060 /nfs/dbraw/zinc/05/00/60/1405050060.db2.gz FPCUOYCXGVZJMT-LJQANCHMSA-N 1 1 383.517 3.219 20 30 GGEDMO CCC(CC)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000048123066 1405064849 /nfs/dbraw/zinc/06/48/49/1405064849.db2.gz MJDHZKGVBAPUIU-HXUWFJFHSA-N 1 1 389.565 3.045 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000048160476 1405078943 /nfs/dbraw/zinc/07/89/43/1405078943.db2.gz VGPVEXGNQNPCON-OAHLLOKOSA-N 1 1 398.532 3.232 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000048160476 1405078954 /nfs/dbraw/zinc/07/89/54/1405078954.db2.gz VGPVEXGNQNPCON-OAHLLOKOSA-N 1 1 398.532 3.232 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000048160474 1405079657 /nfs/dbraw/zinc/07/96/57/1405079657.db2.gz VGPVEXGNQNPCON-HNNXBMFYSA-N 1 1 398.532 3.232 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000048160474 1405079668 /nfs/dbraw/zinc/07/96/68/1405079668.db2.gz VGPVEXGNQNPCON-HNNXBMFYSA-N 1 1 398.532 3.232 20 30 GGEDMO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000048183036 1405089468 /nfs/dbraw/zinc/08/94/68/1405089468.db2.gz DHYAMBAMFTUIGO-QGZVFWFLSA-N 1 1 379.416 3.356 20 30 GGEDMO C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1 ZINC000048184025 1405090063 /nfs/dbraw/zinc/09/00/63/1405090063.db2.gz DOBVPGKPJIXAFG-OAHLLOKOSA-N 1 1 385.558 3.416 20 30 GGEDMO C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000048184025 1405090073 /nfs/dbraw/zinc/09/00/73/1405090073.db2.gz DOBVPGKPJIXAFG-OAHLLOKOSA-N 1 1 385.558 3.416 20 30 GGEDMO C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1 ZINC000048184023 1405090512 /nfs/dbraw/zinc/09/05/12/1405090512.db2.gz DOBVPGKPJIXAFG-HNNXBMFYSA-N 1 1 385.558 3.416 20 30 GGEDMO C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000048184023 1405090522 /nfs/dbraw/zinc/09/05/22/1405090522.db2.gz DOBVPGKPJIXAFG-HNNXBMFYSA-N 1 1 385.558 3.416 20 30 GGEDMO COc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000050089421 1405478303 /nfs/dbraw/zinc/47/83/03/1405478303.db2.gz ZTGZBHUMSQKVOD-INIZCTEOSA-N 1 1 394.475 3.109 20 30 GGEDMO COc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000050089421 1405478318 /nfs/dbraw/zinc/47/83/18/1405478318.db2.gz ZTGZBHUMSQKVOD-INIZCTEOSA-N 1 1 394.475 3.109 20 30 GGEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000051058294 1405715845 /nfs/dbraw/zinc/71/58/45/1405715845.db2.gz PSUQUVCRSSPHKZ-HXUWFJFHSA-N 1 1 398.551 3.178 20 30 GGEDMO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051060836 1405718206 /nfs/dbraw/zinc/71/82/06/1405718206.db2.gz QMFQDJFCSHZPBA-HOCLYGCPSA-N 1 1 390.915 3.167 20 30 GGEDMO CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051060836 1405718212 /nfs/dbraw/zinc/71/82/12/1405718212.db2.gz QMFQDJFCSHZPBA-HOCLYGCPSA-N 1 1 390.915 3.167 20 30 GGEDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000051401124 1405804710 /nfs/dbraw/zinc/80/47/10/1405804710.db2.gz VYNLGNDXSMUOKY-UHFFFAOYSA-N 1 1 390.531 3.033 20 30 GGEDMO N#CCc1cccc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c1 ZINC000051419967 1405807824 /nfs/dbraw/zinc/80/78/24/1405807824.db2.gz YFJZWSPFXDOTOC-UHFFFAOYSA-N 1 1 388.471 3.292 20 30 GGEDMO C=CCc1cc(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc(OC)c1OC ZINC000051778222 1405862492 /nfs/dbraw/zinc/86/24/92/1405862492.db2.gz QGDSKJZJMVTZQL-KRWDZBQOSA-N 1 1 387.480 3.127 20 30 GGEDMO N#Cc1ccsc1C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052050443 1405912230 /nfs/dbraw/zinc/91/22/30/1405912230.db2.gz FOPARJTZPGHCFK-UHFFFAOYSA-N 1 1 388.924 3.215 20 30 GGEDMO Cc1[nH+]ccn1CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000052254110 1406002992 /nfs/dbraw/zinc/00/29/92/1406002992.db2.gz IQWXDSQRCZPNLN-UHFFFAOYSA-N 1 1 388.431 3.137 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)nc1 ZINC000052460352 1406057222 /nfs/dbraw/zinc/05/72/22/1406057222.db2.gz NGRNEBJVBCDIIE-UHFFFAOYSA-N 1 1 376.382 3.217 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1sccc1C ZINC000052661759 1406112380 /nfs/dbraw/zinc/11/23/80/1406112380.db2.gz AIJZKXQPVNLIHJ-UHFFFAOYSA-N 1 1 388.537 3.454 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1sccc1C ZINC000052661759 1406112393 /nfs/dbraw/zinc/11/23/93/1406112393.db2.gz AIJZKXQPVNLIHJ-UHFFFAOYSA-N 1 1 388.537 3.454 20 30 GGEDMO CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052801194 1406173839 /nfs/dbraw/zinc/17/38/39/1406173839.db2.gz CTNWYZZSQPRLAP-GOSISDBHSA-N 1 1 392.503 3.496 20 30 GGEDMO CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052801194 1406173859 /nfs/dbraw/zinc/17/38/59/1406173859.db2.gz CTNWYZZSQPRLAP-GOSISDBHSA-N 1 1 392.503 3.496 20 30 GGEDMO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801188 1406174242 /nfs/dbraw/zinc/17/42/42/1406174242.db2.gz PQAHSJJAIXWGOR-KRWDZBQOSA-N 1 1 396.922 3.429 20 30 GGEDMO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801188 1406174252 /nfs/dbraw/zinc/17/42/52/1406174252.db2.gz PQAHSJJAIXWGOR-KRWDZBQOSA-N 1 1 396.922 3.429 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000052800933 1406174501 /nfs/dbraw/zinc/17/45/01/1406174501.db2.gz FHECLNDAOWJHSZ-UHFFFAOYSA-N 1 1 392.547 3.155 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000052800933 1406174526 /nfs/dbraw/zinc/17/45/26/1406174526.db2.gz FHECLNDAOWJHSZ-UHFFFAOYSA-N 1 1 392.547 3.155 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000052801552 1406175495 /nfs/dbraw/zinc/17/54/95/1406175495.db2.gz FPWJXFIYIXBGLN-UHFFFAOYSA-N 1 1 388.515 3.266 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000052801552 1406175508 /nfs/dbraw/zinc/17/55/08/1406175508.db2.gz FPWJXFIYIXBGLN-UHFFFAOYSA-N 1 1 388.515 3.266 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)cc1 ZINC000052825521 1406186292 /nfs/dbraw/zinc/18/62/92/1406186292.db2.gz FUCJRYXTJMKZQP-UHFFFAOYSA-N 1 1 392.503 3.246 20 30 GGEDMO CCC[N@@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000052825654 1406186753 /nfs/dbraw/zinc/18/67/53/1406186753.db2.gz KOYCLKRYLXKSLT-UHFFFAOYSA-N 1 1 380.448 3.127 20 30 GGEDMO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(C#N)cc1 ZINC000052825592 1406186878 /nfs/dbraw/zinc/18/68/78/1406186878.db2.gz FEYYLIYBYJUWGZ-UHFFFAOYSA-N 1 1 382.420 3.326 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccc(C#N)cc1 ZINC000052825592 1406186897 /nfs/dbraw/zinc/18/68/97/1406186897.db2.gz FEYYLIYBYJUWGZ-UHFFFAOYSA-N 1 1 382.420 3.326 20 30 GGEDMO CCC[N@H+](CC(=O)Nc1cc(OC)c(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000052825598 1406186949 /nfs/dbraw/zinc/18/69/49/1406186949.db2.gz SFQVUYKWMFHHJP-UHFFFAOYSA-N 1 1 397.475 3.435 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1cc(OC)c(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000052825598 1406186972 /nfs/dbraw/zinc/18/69/72/1406186972.db2.gz SFQVUYKWMFHHJP-UHFFFAOYSA-N 1 1 397.475 3.435 20 30 GGEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052830024 1406190814 /nfs/dbraw/zinc/19/08/14/1406190814.db2.gz WGUTYEDNFRSHQJ-INIZCTEOSA-N 1 1 384.867 3.336 20 30 GGEDMO C#CC[N@@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)[C@@H]1CCc2ccccc21 ZINC000052846433 1406197800 /nfs/dbraw/zinc/19/78/00/1406197800.db2.gz SZMQXFWZBOXQLV-OAQYLSRUSA-N 1 1 391.471 3.104 20 30 GGEDMO C#CC[N@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)[C@@H]1CCc2ccccc21 ZINC000052846433 1406197823 /nfs/dbraw/zinc/19/78/23/1406197823.db2.gz SZMQXFWZBOXQLV-OAQYLSRUSA-N 1 1 391.471 3.104 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052930341 1406234214 /nfs/dbraw/zinc/23/42/14/1406234214.db2.gz NYUDOZWBVHNPLU-KRWDZBQOSA-N 1 1 387.549 3.141 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052930341 1406234224 /nfs/dbraw/zinc/23/42/24/1406234224.db2.gz NYUDOZWBVHNPLU-KRWDZBQOSA-N 1 1 387.549 3.141 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000056761597 1407423381 /nfs/dbraw/zinc/42/33/81/1407423381.db2.gz BMMQPIYNCIIMQO-QGZVFWFLSA-N 1 1 378.476 3.316 20 30 GGEDMO C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056769312 1407426886 /nfs/dbraw/zinc/42/68/86/1407426886.db2.gz CMBXSWXRFQGBRP-SFHVURJKSA-N 1 1 392.503 3.112 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000057618225 1407668668 /nfs/dbraw/zinc/66/86/68/1407668668.db2.gz CQXYEAGCBNJUBL-SFHVURJKSA-N 1 1 386.540 3.227 20 30 GGEDMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000176343449 1428258385 /nfs/dbraw/zinc/25/83/85/1428258385.db2.gz VCBRFVCPMVYMSI-GOSISDBHSA-N 1 1 380.492 3.263 20 30 GGEDMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000176343449 1428258403 /nfs/dbraw/zinc/25/84/03/1428258403.db2.gz VCBRFVCPMVYMSI-GOSISDBHSA-N 1 1 380.492 3.263 20 30 GGEDMO C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000057843709 1407736267 /nfs/dbraw/zinc/73/62/67/1407736267.db2.gz AGRZKZWSLPMNNL-UHFFFAOYSA-N 1 1 376.504 3.341 20 30 GGEDMO NC(CCCc1ccccc1)=[NH+]OCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000057858323 1407741170 /nfs/dbraw/zinc/74/11/70/1407741170.db2.gz LDNXAMMPVHOQKZ-UHFFFAOYSA-N 1 1 394.475 3.064 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000058397689 1407822937 /nfs/dbraw/zinc/82/29/37/1407822937.db2.gz CFDJIOOVMDFEIH-ISKFKSNPSA-N 1 1 394.515 3.462 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000058580508 1407847378 /nfs/dbraw/zinc/84/73/78/1407847378.db2.gz ZMTLAVUSKSFMAR-IBGZPJMESA-N 1 1 385.895 3.164 20 30 GGEDMO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1C ZINC000058580520 1407847509 /nfs/dbraw/zinc/84/75/09/1407847509.db2.gz UOELBRMBSTYHKO-JOCHJYFZSA-N 1 1 393.531 3.436 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000058580504 1407847577 /nfs/dbraw/zinc/84/75/77/1407847577.db2.gz IBLKNCZCOIWHEU-JOCHJYFZSA-N 1 1 391.515 3.239 20 30 GGEDMO N#Cc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1Cl ZINC000058860102 1407890952 /nfs/dbraw/zinc/89/09/52/1407890952.db2.gz AEHSPNRRUSSRCE-UHFFFAOYSA-N 1 1 376.888 3.368 20 30 GGEDMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000060090025 1407937062 /nfs/dbraw/zinc/93/70/62/1407937062.db2.gz YLKDFFCSZLQJSM-UHFFFAOYSA-N 1 1 392.887 3.093 20 30 GGEDMO CC[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469327 1407984458 /nfs/dbraw/zinc/98/44/58/1407984458.db2.gz YTSRRKYNMIHGGS-GOSISDBHSA-N 1 1 396.560 3.347 20 30 GGEDMO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477475 1407986496 /nfs/dbraw/zinc/98/64/96/1407986496.db2.gz UJHMFURZBFHEAB-QGZVFWFLSA-N 1 1 392.503 3.258 20 30 GGEDMO CCc1ccccc1NC(=O)CNC(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477475 1407986503 /nfs/dbraw/zinc/98/65/03/1407986503.db2.gz UJHMFURZBFHEAB-QGZVFWFLSA-N 1 1 392.503 3.258 20 30 GGEDMO CCNC(=O)c1cccc(NC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000060477476 1407986647 /nfs/dbraw/zinc/98/66/47/1407986647.db2.gz REXOZUXQVVPSAQ-MRXNPFEDSA-N 1 1 378.476 3.330 20 30 GGEDMO CCNC(=O)c1cccc(NC(=O)C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000060477476 1407986654 /nfs/dbraw/zinc/98/66/54/1407986654.db2.gz REXOZUXQVVPSAQ-MRXNPFEDSA-N 1 1 378.476 3.330 20 30 GGEDMO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)c1ccc(C#N)cc1 ZINC000060477280 1407986696 /nfs/dbraw/zinc/98/66/96/1407986696.db2.gz BWRQSOUDBPBUMI-OAHLLOKOSA-N 1 1 378.432 3.439 20 30 GGEDMO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)c1ccc(C#N)cc1 ZINC000060477280 1407986700 /nfs/dbraw/zinc/98/67/00/1407986700.db2.gz BWRQSOUDBPBUMI-OAHLLOKOSA-N 1 1 378.432 3.439 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1)CC(F)(F)F ZINC000176392646 1428295684 /nfs/dbraw/zinc/29/56/84/1428295684.db2.gz WXBDRUXRXZPVRX-INIZCTEOSA-N 1 1 385.430 3.152 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000176394051 1428298094 /nfs/dbraw/zinc/29/80/94/1428298094.db2.gz GXIBUPPLBPXTBP-MRXNPFEDSA-N 1 1 382.430 3.093 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1)CC(F)(F)F ZINC000176412650 1428309748 /nfs/dbraw/zinc/30/97/48/1428309748.db2.gz KMSFKKXIEAKPAQ-HNNXBMFYSA-N 1 1 382.430 3.093 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000063400203 1408348855 /nfs/dbraw/zinc/34/88/55/1408348855.db2.gz NDVZLGXWFDIYCB-UHFFFAOYSA-N 1 1 396.535 3.291 20 30 GGEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccccc1OC ZINC000063482422 1408361837 /nfs/dbraw/zinc/36/18/37/1408361837.db2.gz RDGUSYGORYKCDD-UHFFFAOYSA-N 1 1 394.475 3.246 20 30 GGEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000063497035 1408364446 /nfs/dbraw/zinc/36/44/46/1408364446.db2.gz UTIODTIAWUVPDO-GOSISDBHSA-N 1 1 379.460 3.439 20 30 GGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000063754511 1408400871 /nfs/dbraw/zinc/40/08/71/1408400871.db2.gz SRFLYAOASUNLDF-UHFFFAOYSA-N 1 1 378.428 3.322 20 30 GGEDMO COc1cccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1OC ZINC000063751063 1408401427 /nfs/dbraw/zinc/40/14/27/1408401427.db2.gz KWIXGSGIVCGHMF-UHFFFAOYSA-N 1 1 395.503 3.444 20 30 GGEDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C#N)cc1 ZINC000063754567 1408403507 /nfs/dbraw/zinc/40/35/07/1408403507.db2.gz RVGHOIFGKGUIQW-UHFFFAOYSA-N 1 1 396.447 3.252 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)CC1 ZINC000064443709 1408555808 /nfs/dbraw/zinc/55/58/08/1408555808.db2.gz ZFNGIKXVPBJDKC-UHFFFAOYSA-N 1 1 393.535 3.153 20 30 GGEDMO N#Cc1ccc(OCC[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000064481002 1408564205 /nfs/dbraw/zinc/56/42/05/1408564205.db2.gz FSXBHAIVSJADBI-UHFFFAOYSA-N 1 1 383.879 3.439 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCC(=O)OC ZINC000064570529 1408579609 /nfs/dbraw/zinc/57/96/09/1408579609.db2.gz IQSRWJIPTKOUNN-UHFFFAOYSA-N 1 1 377.510 3.102 20 30 GGEDMO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000065253691 1408657128 /nfs/dbraw/zinc/65/71/28/1408657128.db2.gz IDOGQWQPQPHASD-SFHVURJKSA-N 1 1 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CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092282725 1410131992 /nfs/dbraw/zinc/13/19/92/1410131992.db2.gz KAGVMHFNXRPGIV-GPJFCIFZSA-N 1 1 399.539 3.207 20 30 GGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000092504337 1410162804 /nfs/dbraw/zinc/16/28/04/1410162804.db2.gz OSBOSGPCUDFQDX-UHFFFAOYSA-N 1 1 399.878 3.273 20 30 GGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000092504337 1410162811 /nfs/dbraw/zinc/16/28/11/1410162811.db2.gz OSBOSGPCUDFQDX-UHFFFAOYSA-N 1 1 399.878 3.273 20 30 GGEDMO C#CCOc1ccc(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cc1 ZINC000092512019 1410164929 /nfs/dbraw/zinc/16/49/29/1410164929.db2.gz BKAOYPJYVMMNPC-UHFFFAOYSA-N 1 1 387.501 3.003 20 30 GGEDMO C#CCOc1ccc(C[N@@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cc1 ZINC000092512019 1410164935 /nfs/dbraw/zinc/16/49/35/1410164935.db2.gz BKAOYPJYVMMNPC-UHFFFAOYSA-N 1 1 387.501 3.003 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000092567941 1410174404 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CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000101691605 1410491681 /nfs/dbraw/zinc/49/16/81/1410491681.db2.gz MCVJTOKFMGDBOH-UHFFFAOYSA-N 1 1 390.531 3.323 20 30 GGEDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000101691605 1410491684 /nfs/dbraw/zinc/49/16/84/1410491684.db2.gz MCVJTOKFMGDBOH-UHFFFAOYSA-N 1 1 390.531 3.323 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC000101909790 1410518498 /nfs/dbraw/zinc/51/84/98/1410518498.db2.gz JVQXZYFSOOCHQB-VQTJNVASSA-N 1 1 398.551 3.114 20 30 GGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000101910644 1410518582 /nfs/dbraw/zinc/51/85/82/1410518582.db2.gz BKXWMDCCJIWSGX-SFHVURJKSA-N 1 1 394.519 3.222 20 30 GGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000101910644 1410518588 /nfs/dbraw/zinc/51/85/88/1410518588.db2.gz BKXWMDCCJIWSGX-SFHVURJKSA-N 1 1 394.519 3.222 20 30 GGEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 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IJLOBFXRYBGQDX-HSZRJFAPSA-N 1 1 395.503 3.437 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)cn1 ZINC000102803004 1410767862 /nfs/dbraw/zinc/76/78/62/1410767862.db2.gz FBJQNDIDXWOFGU-UHFFFAOYSA-N 1 1 398.373 3.371 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000102928718 1410809095 /nfs/dbraw/zinc/80/90/95/1410809095.db2.gz RBOMWGARBBCQEN-JOCHJYFZSA-N 1 1 383.492 3.358 20 30 GGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000102955584 1410811686 /nfs/dbraw/zinc/81/16/86/1410811686.db2.gz UTHBMLYUIZUFFA-UHFFFAOYSA-N 1 1 382.439 3.446 20 30 GGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000103151721 1410832246 /nfs/dbraw/zinc/83/22/46/1410832246.db2.gz UOCMEGIUKSLHEX-XLIONFOSSA-N 1 1 385.464 3.002 20 30 GGEDMO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103185050 1410835552 /nfs/dbraw/zinc/83/55/52/1410835552.db2.gz JDPVMXVDHVWCGM-QFIPXVFZSA-N 1 1 376.504 3.264 20 30 GGEDMO 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C[N@@H+](CCOc1cccc(CNCc2ccc(C#N)s2)c1)C1CCOCC1 ZINC000176962079 1428532109 /nfs/dbraw/zinc/53/21/09/1428532109.db2.gz JBOWNBPVCMYPTH-UHFFFAOYSA-N 1 1 385.533 3.399 20 30 GGEDMO N#Cc1ccc(Oc2cccc(NC(=O)NCCC[NH+]3CCOCC3)c2)cc1 ZINC000105040001 1411019913 /nfs/dbraw/zinc/01/99/13/1411019913.db2.gz YFWXQPWNHMAISO-UHFFFAOYSA-N 1 1 380.448 3.194 20 30 GGEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000105272683 1411047901 /nfs/dbraw/zinc/04/79/01/1411047901.db2.gz FDXXDPSDMWBIML-IBGZPJMESA-N 1 1 384.524 3.231 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1COc2ccccc2O1 ZINC000105420710 1411065198 /nfs/dbraw/zinc/06/51/98/1411065198.db2.gz PKURXMFJAPUZBO-INIZCTEOSA-N 1 1 385.851 3.312 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1COc2ccccc2O1 ZINC000105420707 1411065280 /nfs/dbraw/zinc/06/52/80/1411065280.db2.gz PKURXMFJAPUZBO-MRXNPFEDSA-N 1 1 385.851 3.312 20 30 GGEDMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000105427666 1411066011 /nfs/dbraw/zinc/06/60/11/1411066011.db2.gz IBYRREHKKMLPAL-KRWDZBQOSA-N 1 1 387.487 3.064 20 30 GGEDMO C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)CN1CCN(C)CC1 ZINC000105439883 1411067005 /nfs/dbraw/zinc/06/70/05/1411067005.db2.gz MCVJEXKTKZIJKB-HXUWFJFHSA-N 1 1 392.547 3.110 20 30 GGEDMO N#CCCN(CC1CC1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000176978673 1428538706 /nfs/dbraw/zinc/53/87/06/1428538706.db2.gz NXFGSPZGOCFGPM-UHFFFAOYSA-N 1 1 395.507 3.131 20 30 GGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106183494 1411177844 /nfs/dbraw/zinc/17/78/44/1411177844.db2.gz ZTGORGBFKLTAAT-CQSZACIVSA-N 1 1 383.521 3.044 20 30 GGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000176996976 1428546751 /nfs/dbraw/zinc/54/67/51/1428546751.db2.gz RNRMFJWCBQEUGG-OAQYLSRUSA-N 1 1 381.451 3.119 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177010297 1428552591 /nfs/dbraw/zinc/55/25/91/1428552591.db2.gz RGPBUBJWIAWZKZ-UHFFFAOYSA-N 1 1 377.404 3.320 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177010297 1428552601 /nfs/dbraw/zinc/55/26/01/1428552601.db2.gz RGPBUBJWIAWZKZ-UHFFFAOYSA-N 1 1 377.404 3.320 20 30 GGEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000106946303 1411324994 /nfs/dbraw/zinc/32/49/94/1411324994.db2.gz DUTBVBYAODUDEE-QGZVFWFLSA-N 1 1 393.491 3.108 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(F)cc2C#N)C(C)C)cc1 ZINC000107307535 1411359192 /nfs/dbraw/zinc/35/91/92/1411359192.db2.gz DMMLVHYINAZGRW-OAQYLSRUSA-N 1 1 399.466 3.306 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(F)cc2C#N)C(C)C)cc1 ZINC000107307535 1411359196 /nfs/dbraw/zinc/35/91/96/1411359196.db2.gz DMMLVHYINAZGRW-OAQYLSRUSA-N 1 1 399.466 3.306 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2cc(C#N)ccc2F)C(C)C)cc1 ZINC000107307618 1411360123 /nfs/dbraw/zinc/36/01/23/1411360123.db2.gz VLXRVDZCNLNNOT-HXUWFJFHSA-N 1 1 399.466 3.306 20 30 GGEDMO CCOCC[N@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000107679671 1411397899 /nfs/dbraw/zinc/39/78/99/1411397899.db2.gz XADAZBFNYAYQQT-UHFFFAOYSA-N 1 1 382.508 3.322 20 30 GGEDMO CCOCC[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000107679671 1411397904 /nfs/dbraw/zinc/39/79/04/1411397904.db2.gz XADAZBFNYAYQQT-UHFFFAOYSA-N 1 1 382.508 3.322 20 30 GGEDMO C[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000108358623 1411480390 /nfs/dbraw/zinc/48/03/90/1411480390.db2.gz NFPFEWWAMNNXBB-HXUWFJFHSA-N 1 1 376.485 3.352 20 30 GGEDMO C[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000108358623 1411480398 /nfs/dbraw/zinc/48/03/98/1411480398.db2.gz NFPFEWWAMNNXBB-HXUWFJFHSA-N 1 1 376.485 3.352 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108375355 1411483212 /nfs/dbraw/zinc/48/32/12/1411483212.db2.gz UAHFEHDPHFALLS-OAQYLSRUSA-N 1 1 385.487 3.135 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108388277 1411487081 /nfs/dbraw/zinc/48/70/81/1411487081.db2.gz BURPVNVEZJXOST-QVKFZJNVSA-N 1 1 381.451 3.470 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108388279 1411487198 /nfs/dbraw/zinc/48/71/98/1411487198.db2.gz BURPVNVEZJXOST-BTYIYWSLSA-N 1 1 381.451 3.470 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108388620 1411487341 /nfs/dbraw/zinc/48/73/41/1411487341.db2.gz NFTANARFCHOXMQ-QVKFZJNVSA-N 1 1 381.451 3.470 20 30 GGEDMO N#Cc1cccc(CS(=O)(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000108399777 1411491916 /nfs/dbraw/zinc/49/19/16/1411491916.db2.gz YUYSEGUMOJHNOZ-UHFFFAOYSA-N 1 1 397.544 3.029 20 30 GGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000108466514 1411511474 /nfs/dbraw/zinc/51/14/74/1411511474.db2.gz GQZPNMPAOJKQQM-QHCPKHFHSA-N 1 1 391.515 3.349 20 30 GGEDMO C#CCOc1cccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000108517094 1411526181 /nfs/dbraw/zinc/52/61/81/1411526181.db2.gz LPBWTDZMFLLHHQ-GOSISDBHSA-N 1 1 393.487 3.241 20 30 GGEDMO C#CCOc1cccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000108517094 1411526192 /nfs/dbraw/zinc/52/61/92/1411526192.db2.gz LPBWTDZMFLLHHQ-GOSISDBHSA-N 1 1 393.487 3.241 20 30 GGEDMO C#CCOc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000108520560 1411528481 /nfs/dbraw/zinc/52/84/81/1411528481.db2.gz AXOYDLIZFZTXJT-UHFFFAOYSA-N 1 1 393.487 3.447 20 30 GGEDMO CC(C)[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000108530288 1411531019 /nfs/dbraw/zinc/53/10/19/1411531019.db2.gz YEXHZNFRJLWRFX-WMZOPIPTSA-N 1 1 390.553 3.417 20 30 GGEDMO CC(C)[C@H](CNC(=O)Nc1ccccc1SC[C@H](C)C#N)[NH+]1CCOCC1 ZINC000108530295 1411531407 /nfs/dbraw/zinc/53/14/07/1411531407.db2.gz YEXHZNFRJLWRFX-AEFFLSMTSA-N 1 1 390.553 3.417 20 30 GGEDMO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C1=O ZINC000177064929 1428575287 /nfs/dbraw/zinc/57/52/87/1428575287.db2.gz ZXTFXNCSSIRYEP-GOSISDBHSA-N 1 1 391.500 3.481 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)CCCCOc2ccc(Br)cc2)CC1 ZINC000108792466 1411612488 /nfs/dbraw/zinc/61/24/88/1411612488.db2.gz DWOZHJOPTVQENT-UHFFFAOYSA-N 1 1 393.325 3.166 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C[N@H+]1C1CC1 ZINC000177100047 1428587955 /nfs/dbraw/zinc/58/79/55/1428587955.db2.gz FXJOOQHVEJOPEA-OXQOHEQNSA-N 1 1 375.472 3.492 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C[N@H+]1C1CC1 ZINC000177100034 1428588008 /nfs/dbraw/zinc/58/80/08/1428588008.db2.gz FXJOOQHVEJOPEA-JXFKEZNVSA-N 1 1 375.472 3.492 20 30 GGEDMO C[NH+](C)[C@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000109304106 1411736813 /nfs/dbraw/zinc/73/68/13/1411736813.db2.gz QNDFVWCPDLVCGA-RXVVDRJESA-N 1 1 380.467 3.085 20 30 GGEDMO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000109304103 1411737341 /nfs/dbraw/zinc/73/73/41/1411737341.db2.gz QNDFVWCPDLVCGA-WIYYLYMNSA-N 1 1 380.467 3.085 20 30 GGEDMO CC(C)CC(N)=[NH+]OCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000109317169 1411739329 /nfs/dbraw/zinc/73/93/29/1411739329.db2.gz AMTZDGABCSGCNG-MRXNPFEDSA-N 1 1 396.491 3.451 20 30 GGEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000177115095 1428591724 /nfs/dbraw/zinc/59/17/24/1428591724.db2.gz NWKDQKLKANIZGD-UHFFFAOYSA-N 1 1 398.532 3.399 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000177115095 1428591726 /nfs/dbraw/zinc/59/17/26/1428591726.db2.gz NWKDQKLKANIZGD-UHFFFAOYSA-N 1 1 398.532 3.399 20 30 GGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000109356242 1411747295 /nfs/dbraw/zinc/74/72/95/1411747295.db2.gz MFYXTQUVYHMEQM-UHFFFAOYSA-N 1 1 377.488 3.248 20 30 GGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000109356242 1411747302 /nfs/dbraw/zinc/74/73/02/1411747302.db2.gz MFYXTQUVYHMEQM-UHFFFAOYSA-N 1 1 377.488 3.248 20 30 GGEDMO COC(=O)CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(C)C ZINC000109390011 1411753252 /nfs/dbraw/zinc/75/32/52/1411753252.db2.gz AGYSVJXQAJVXDE-UHFFFAOYSA-N 1 1 391.537 3.348 20 30 GGEDMO CCNC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000109404571 1411755767 /nfs/dbraw/zinc/75/57/67/1411755767.db2.gz HZFLBNOXYZXISF-UHFFFAOYSA-N 1 1 378.476 3.157 20 30 GGEDMO CCNC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000109404571 1411755773 /nfs/dbraw/zinc/75/57/73/1411755773.db2.gz HZFLBNOXYZXISF-UHFFFAOYSA-N 1 1 378.476 3.157 20 30 GGEDMO N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000109470321 1411770637 /nfs/dbraw/zinc/77/06/37/1411770637.db2.gz IFEJFUNLKXAFMD-UHFFFAOYSA-N 1 1 389.908 3.155 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109784629 1411810160 /nfs/dbraw/zinc/81/01/60/1411810160.db2.gz HKHPERJFXHUYTH-KRWDZBQOSA-N 1 1 398.507 3.350 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000109784629 1411810161 /nfs/dbraw/zinc/81/01/61/1411810161.db2.gz HKHPERJFXHUYTH-KRWDZBQOSA-N 1 1 398.507 3.350 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000109796254 1411811182 /nfs/dbraw/zinc/81/11/82/1411811182.db2.gz OWMGRJZJBMVIAA-MRXNPFEDSA-N 1 1 383.521 3.410 20 30 GGEDMO CCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000109873783 1411815857 /nfs/dbraw/zinc/81/58/57/1411815857.db2.gz KLQQEHDUANSKCN-FXAWDEMLSA-N 1 1 381.476 3.037 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000110032595 1411826460 /nfs/dbraw/zinc/82/64/60/1411826460.db2.gz CLZQWIBWHSPCOQ-IBGZPJMESA-N 1 1 396.878 3.278 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000110032592 1411826496 /nfs/dbraw/zinc/82/64/96/1411826496.db2.gz CLZQWIBWHSPCOQ-LJQANCHMSA-N 1 1 396.878 3.278 20 30 GGEDMO COc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000110037205 1411826900 /nfs/dbraw/zinc/82/69/00/1411826900.db2.gz CQCIYASYSOMUDK-INIZCTEOSA-N 1 1 378.476 3.470 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[N@H+]1C1CC1 ZINC000177138422 1428599982 /nfs/dbraw/zinc/59/99/82/1428599982.db2.gz MRPCVSNNBBDUDQ-JXFKEZNVSA-N 1 1 375.472 3.492 20 30 GGEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000110189002 1411836209 /nfs/dbraw/zinc/83/62/09/1411836209.db2.gz OSOHQXJJZNETCC-HDICACEKSA-N 1 1 387.524 3.111 20 30 GGEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000110189002 1411836210 /nfs/dbraw/zinc/83/62/10/1411836210.db2.gz OSOHQXJJZNETCC-HDICACEKSA-N 1 1 387.524 3.111 20 30 GGEDMO CC[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000110207805 1411837615 /nfs/dbraw/zinc/83/76/15/1411837615.db2.gz BKGYGSYSMRWOOB-OAQYLSRUSA-N 1 1 377.488 3.085 20 30 GGEDMO N#CCOc1ccc(CC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000110259636 1411840917 /nfs/dbraw/zinc/84/09/17/1411840917.db2.gz GQAMBNQGYZDTMP-UHFFFAOYSA-N 1 1 381.501 3.319 20 30 GGEDMO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2Cl)CC1 ZINC000110263865 1411841065 /nfs/dbraw/zinc/84/10/65/1411841065.db2.gz 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C[C@@H](CN1CCOCC1)[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000111057461 1411884930 /nfs/dbraw/zinc/88/49/30/1411884930.db2.gz HUCWHQHNPIAKNR-FQEVSTJZSA-N 1 1 379.504 3.160 20 30 GGEDMO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1O ZINC000111235488 1411896954 /nfs/dbraw/zinc/89/69/54/1411896954.db2.gz XHGFJZBJWRELNR-UHFFFAOYSA-N 1 1 376.378 3.011 20 30 GGEDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000111253120 1411897869 /nfs/dbraw/zinc/89/78/69/1411897869.db2.gz LKLAMZIPSFMWHO-IRXDYDNUSA-N 1 1 386.540 3.334 20 30 GGEDMO C=CC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)CC1 ZINC000111259088 1411897987 /nfs/dbraw/zinc/89/79/87/1411897987.db2.gz FHJIFKKJJPZYSG-INIZCTEOSA-N 1 1 381.398 3.191 20 30 GGEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000111253119 1411898013 /nfs/dbraw/zinc/89/80/13/1411898013.db2.gz LKLAMZIPSFMWHO-SJORKVTESA-N 1 1 386.540 3.334 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 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QMDXANKMNHZVBC-RXVVDRJESA-N 1 1 381.476 3.295 20 30 GGEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)C[N@H+](C)Cc2ccccc2)ccc1OC ZINC000113211701 1412276484 /nfs/dbraw/zinc/27/64/84/1412276484.db2.gz WWNJLTFAJNETAV-IBGZPJMESA-N 1 1 381.476 3.124 20 30 GGEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)C[N@@H+](C)Cc2ccccc2)ccc1OC ZINC000113211701 1412276492 /nfs/dbraw/zinc/27/64/92/1412276492.db2.gz WWNJLTFAJNETAV-IBGZPJMESA-N 1 1 381.476 3.124 20 30 GGEDMO C[C@H]([N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1(C)CC1 ZINC000177221166 1428638403 /nfs/dbraw/zinc/63/84/03/1428638403.db2.gz QXWKZERFCKQAFX-IRXDYDNUSA-N 1 1 398.551 3.476 20 30 GGEDMO N#CCOc1cccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000113380490 1412301266 /nfs/dbraw/zinc/30/12/66/1412301266.db2.gz UQNNYENDKUBYDE-HXUWFJFHSA-N 1 1 378.476 3.053 20 30 GGEDMO N#CCOc1cccc(CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000113391584 1412302812 /nfs/dbraw/zinc/30/28/12/1412302812.db2.gz UMOLJHNPHZVBSP-HXUWFJFHSA-N 1 1 384.524 3.433 20 30 GGEDMO CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@H]2CCCC[N@H+]2CC)ccc1OC ZINC000113620866 1412322441 /nfs/dbraw/zinc/32/24/41/1412322441.db2.gz RFJBDQNNLNNFSV-QZTJIDSGSA-N 1 1 388.512 3.050 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000113901354 1412347675 /nfs/dbraw/zinc/34/76/75/1412347675.db2.gz DWHLQVGHMHDRTF-MJGOQNOKSA-N 1 1 385.508 3.059 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113900452 1412347706 /nfs/dbraw/zinc/34/77/06/1412347706.db2.gz BEDNMAXGFCJXTC-GHTZIAJQSA-N 1 1 399.583 3.459 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000113966572 1412360208 /nfs/dbraw/zinc/36/02/08/1412360208.db2.gz KWKNHLTUZNFNDJ-NRFANRHFSA-N 1 1 392.503 3.225 20 30 GGEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000113971870 1412360574 /nfs/dbraw/zinc/36/05/74/1412360574.db2.gz MDZUPUQCVIUPFF-GOSISDBHSA-N 1 1 398.532 3.287 20 30 GGEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000113971870 1412360580 /nfs/dbraw/zinc/36/05/80/1412360580.db2.gz MDZUPUQCVIUPFF-GOSISDBHSA-N 1 1 398.532 3.287 20 30 GGEDMO C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1 ZINC000113976756 1412362294 /nfs/dbraw/zinc/36/22/94/1412362294.db2.gz IJLXWWOOCSCJBX-LJQANCHMSA-N 1 1 392.503 3.243 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCCNc2ccc(C)c[nH+]2)c1 ZINC000113981239 1412363512 /nfs/dbraw/zinc/36/35/12/1412363512.db2.gz HHTIIMIKNAISON-SFHVURJKSA-N 1 1 381.480 3.372 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000113992012 1412364743 /nfs/dbraw/zinc/36/47/43/1412364743.db2.gz ODZMYKMYHNMMIY-UWJYYQICSA-N 1 1 377.488 3.431 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000113992012 1412364747 /nfs/dbraw/zinc/36/47/47/1412364747.db2.gz ODZMYKMYHNMMIY-UWJYYQICSA-N 1 1 377.488 3.431 20 30 GGEDMO C[NH+](C)CCN1CCC(CNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000114142509 1412383456 /nfs/dbraw/zinc/38/34/56/1412383456.db2.gz GBCQDSQKFSCHLF-UHFFFAOYSA-N 1 1 390.531 3.229 20 30 GGEDMO COC(=O)CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000114197287 1412392836 /nfs/dbraw/zinc/39/28/36/1412392836.db2.gz UNMSSZZRFRHVJD-UHFFFAOYSA-N 1 1 377.510 3.101 20 30 GGEDMO COC(=O)CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000114197287 1412392843 /nfs/dbraw/zinc/39/28/43/1412392843.db2.gz UNMSSZZRFRHVJD-UHFFFAOYSA-N 1 1 377.510 3.101 20 30 GGEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCc2ccccc2C1 ZINC000114488842 1412443112 /nfs/dbraw/zinc/44/31/12/1412443112.db2.gz UJIJVVAOKMXIBS-NRFANRHFSA-N 1 1 385.471 3.172 20 30 GGEDMO N#Cc1ccccc1OCc1cccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000114680821 1412495698 /nfs/dbraw/zinc/49/56/98/1412495698.db2.gz YVMHWNLUYAXAKK-GOSISDBHSA-N 1 1 375.472 3.351 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(C#N)ccc1C ZINC000114734799 1412514251 /nfs/dbraw/zinc/51/42/51/1412514251.db2.gz KKCTZIFZLAGFAT-ICSRJNTNSA-N 1 1 381.501 3.172 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000114738584 1412514900 /nfs/dbraw/zinc/51/49/00/1412514900.db2.gz LEFDQTKXDHPRLT-QGZVFWFLSA-N 1 1 389.546 3.119 20 30 GGEDMO CC[NH+](CC)Cc1cccc(CN[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000114748638 1412518110 /nfs/dbraw/zinc/51/81/10/1412518110.db2.gz CUGKPCKBDNTHRP-QFIPXVFZSA-N 1 1 376.504 3.295 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000115271540 1412628927 /nfs/dbraw/zinc/62/89/27/1412628927.db2.gz DOCXQRZOUVRKLK-YLJYHZDGSA-N 1 1 389.565 3.045 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000115323734 1412647269 /nfs/dbraw/zinc/64/72/69/1412647269.db2.gz ZVIQIFBHSIVSTA-HSZRJFAPSA-N 1 1 389.499 3.297 20 30 GGEDMO N#Cc1cccc(OCc2cccc(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)c2)c1 ZINC000115341337 1412653121 /nfs/dbraw/zinc/65/31/21/1412653121.db2.gz FBKOYQNLCJNYAV-IBGZPJMESA-N 1 1 375.472 3.351 20 30 GGEDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177276817 1428667618 /nfs/dbraw/zinc/66/76/18/1428667618.db2.gz XXEXYOSIYHYCJM-AWEZNQCLSA-N 1 1 396.434 3.397 20 30 GGEDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177276817 1428667620 /nfs/dbraw/zinc/66/76/20/1428667620.db2.gz XXEXYOSIYHYCJM-AWEZNQCLSA-N 1 1 396.434 3.397 20 30 GGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000115512924 1412698482 /nfs/dbraw/zinc/69/84/82/1412698482.db2.gz OMULPKXATVQNSI-UWJYYQICSA-N 1 1 388.471 3.158 20 30 GGEDMO C=CCn1c2nn(C[NH+](CC3CC3)CC3CC3)c(=S)n2c2ccccc2c1=O ZINC000115514071 1412698863 /nfs/dbraw/zinc/69/88/63/1412698863.db2.gz LPACXYFYGLPTAI-UHFFFAOYSA-N 1 1 395.532 3.446 20 30 GGEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000115597637 1412724734 /nfs/dbraw/zinc/72/47/34/1412724734.db2.gz ZZTZMVAJOBWSPL-KSFYIVLOSA-N 1 1 386.455 3.409 20 30 GGEDMO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)C(N)=O)cc1 ZINC000115596839 1412725755 /nfs/dbraw/zinc/72/57/55/1412725755.db2.gz IBSVKOJZRGTAHW-XMMPIXPASA-N 1 1 396.494 3.437 20 30 GGEDMO N#Cc1ccc(OCC[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000177291222 1428674249 /nfs/dbraw/zinc/67/42/49/1428674249.db2.gz KRSGIGCCWDWMRG-UHFFFAOYSA-N 1 1 377.488 3.104 20 30 GGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000177311959 1428682408 /nfs/dbraw/zinc/68/24/08/1428682408.db2.gz FWMQOGGLQQOLST-CVEARBPZSA-N 1 1 386.565 3.386 20 30 GGEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000177311959 1428682411 /nfs/dbraw/zinc/68/24/11/1428682411.db2.gz FWMQOGGLQQOLST-CVEARBPZSA-N 1 1 386.565 3.386 20 30 GGEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000177311959 1428682416 /nfs/dbraw/zinc/68/24/16/1428682416.db2.gz FWMQOGGLQQOLST-CVEARBPZSA-N 1 1 386.565 3.386 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000116498758 1412868598 /nfs/dbraw/zinc/86/85/98/1412868598.db2.gz ONNAFJBCUUHPCY-IRXDYDNUSA-N 1 1 392.544 3.097 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000116498758 1412868599 /nfs/dbraw/zinc/86/85/99/1412868599.db2.gz ONNAFJBCUUHPCY-IRXDYDNUSA-N 1 1 392.544 3.097 20 30 GGEDMO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1OCc1cccc(C#N)c1 ZINC000116876867 1412947035 /nfs/dbraw/zinc/94/70/35/1412947035.db2.gz AWTWZMXWACGMAD-FQEVSTJZSA-N 1 1 393.487 3.198 20 30 GGEDMO COc1cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1OCc1cccc(C#N)c1 ZINC000116876867 1412947041 /nfs/dbraw/zinc/94/70/41/1412947041.db2.gz AWTWZMXWACGMAD-FQEVSTJZSA-N 1 1 393.487 3.198 20 30 GGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177322591 1428689698 /nfs/dbraw/zinc/68/96/98/1428689698.db2.gz ANMBNMYNSVGOTQ-KSZLIROESA-N 1 1 386.565 3.435 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000117093674 1412998442 /nfs/dbraw/zinc/99/84/42/1412998442.db2.gz HLYLFXVVIXCDPV-HXUWFJFHSA-N 1 1 380.492 3.164 20 30 GGEDMO N#CCCn1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000117718300 1413071063 /nfs/dbraw/zinc/07/10/63/1413071063.db2.gz UMJSVOGCPDQMEM-GOSISDBHSA-N 1 1 391.397 3.190 20 30 GGEDMO C=CCOc1cccc(NC(=O)C(=O)N2CCC(C[N@H+](C)CCCC)CC2)c1 ZINC000118092962 1413106820 /nfs/dbraw/zinc/10/68/20/1413106820.db2.gz YTDRYDZHSPDEQV-UHFFFAOYSA-N 1 1 387.524 3.160 20 30 GGEDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000118108909 1413111089 /nfs/dbraw/zinc/11/10/89/1413111089.db2.gz OTUBAHHOAOIBIX-SFHVURJKSA-N 1 1 398.894 3.002 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000118131293 1413114833 /nfs/dbraw/zinc/11/48/33/1413114833.db2.gz MRZRHWPHKCUTKF-HNNXBMFYSA-N 1 1 388.537 3.010 20 30 GGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000118391601 1413158315 /nfs/dbraw/zinc/15/83/15/1413158315.db2.gz ZDDAHMNXEVEIAN-MRXNPFEDSA-N 1 1 387.480 3.155 20 30 GGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000118391601 1413158317 /nfs/dbraw/zinc/15/83/17/1413158317.db2.gz ZDDAHMNXEVEIAN-MRXNPFEDSA-N 1 1 387.480 3.155 20 30 GGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000118397821 1413158326 /nfs/dbraw/zinc/15/83/26/1413158326.db2.gz WLEMNPWPNUFTNB-KXBFYZLASA-N 1 1 387.480 3.201 20 30 GGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000118397821 1413158329 /nfs/dbraw/zinc/15/83/29/1413158329.db2.gz WLEMNPWPNUFTNB-KXBFYZLASA-N 1 1 387.480 3.201 20 30 GGEDMO CCc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391135 1413158347 /nfs/dbraw/zinc/15/83/47/1413158347.db2.gz QQNNZWXOOQTWKU-SFHVURJKSA-N 1 1 376.504 3.438 20 30 GGEDMO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391127 1413158569 /nfs/dbraw/zinc/15/85/69/1413158569.db2.gz RNIHBSAIHDBVIB-LJQANCHMSA-N 1 1 376.504 3.492 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cc1cccc(OCC#N)c1 ZINC000119091815 1413332820 /nfs/dbraw/zinc/33/28/20/1413332820.db2.gz RXFVILPDSNFNCS-UNMCSNQZSA-N 1 1 375.472 3.274 20 30 GGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cc1cccc(OCC#N)c1 ZINC000119091941 1413333271 /nfs/dbraw/zinc/33/32/71/1413333271.db2.gz RXFVILPDSNFNCS-IRLDBZIGSA-N 1 1 375.472 3.274 20 30 GGEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000119448167 1413450273 /nfs/dbraw/zinc/45/02/73/1413450273.db2.gz GWAHPIXBOIDPGC-IEBWSBKVSA-N 1 1 379.460 3.287 20 30 GGEDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000119458866 1413454536 /nfs/dbraw/zinc/45/45/36/1413454536.db2.gz PYFYFZYEYVTERM-MRXNPFEDSA-N 1 1 387.505 3.210 20 30 GGEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000119474069 1413459925 /nfs/dbraw/zinc/45/99/25/1413459925.db2.gz SEMIAQWQJIAZHL-OAHLLOKOSA-N 1 1 390.505 3.100 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)Cc1cccc(C#N)c1 ZINC000119609633 1413502871 /nfs/dbraw/zinc/50/28/71/1413502871.db2.gz SPWZJDSVSFGGON-FPOVZHCZSA-N 1 1 381.501 3.004 20 30 GGEDMO C#CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000119867334 1413598444 /nfs/dbraw/zinc/59/84/44/1413598444.db2.gz RPENVTWUUFYCPQ-OAQYLSRUSA-N 1 1 377.488 3.220 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1C ZINC000177446450 1428740693 /nfs/dbraw/zinc/74/06/93/1428740693.db2.gz UONWOWJIQLNBOY-QFIPXVFZSA-N 1 1 399.535 3.210 20 30 GGEDMO O=C1CC[C@@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]2N1C1CC1 ZINC000120050507 1413668388 /nfs/dbraw/zinc/66/83/88/1413668388.db2.gz YARAJPOACPPMPE-VQIMIIECSA-N 1 1 392.421 3.412 20 30 GGEDMO O=C1CC[C@@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]2N1C1CC1 ZINC000120050706 1413668704 /nfs/dbraw/zinc/66/87/04/1413668704.db2.gz YARAJPOACPPMPE-APWZRJJASA-N 1 1 392.421 3.412 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000120093038 1413684292 /nfs/dbraw/zinc/68/42/92/1413684292.db2.gz URNQQBHRMNXPLF-HRAATJIYSA-N 1 1 378.476 3.039 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(C#N)s2)C(C)C)cc1 ZINC000120110560 1413692083 /nfs/dbraw/zinc/69/20/83/1413692083.db2.gz YOIOOKBVOSBUBF-QGZVFWFLSA-N 1 1 387.505 3.228 20 30 GGEDMO CCC[N@@H+](CC(=O)NC)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000120153212 1413709090 /nfs/dbraw/zinc/70/90/90/1413709090.db2.gz YKHXGGGHKNBCHV-UHFFFAOYSA-N 1 1 381.476 3.104 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120216065 1413734767 /nfs/dbraw/zinc/73/47/67/1413734767.db2.gz OLXYAMRKYNYBJZ-HDICACEKSA-N 1 1 384.524 3.144 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120216065 1413734771 /nfs/dbraw/zinc/73/47/71/1413734771.db2.gz OLXYAMRKYNYBJZ-HDICACEKSA-N 1 1 384.524 3.144 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cc(Cl)cn2C)c(OC)c1 ZINC000120245812 1413749415 /nfs/dbraw/zinc/74/94/15/1413749415.db2.gz MOSUNXYQJKZVSD-GOSISDBHSA-N 1 1 378.900 3.287 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(N3CCCCC3=O)CC2)cc1C ZINC000120357027 1413800987 /nfs/dbraw/zinc/80/09/87/1413800987.db2.gz YRLSVETYEKLHQF-UHFFFAOYSA-N 1 1 396.535 3.027 20 30 GGEDMO C=CCC[C@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000120419337 1413813584 /nfs/dbraw/zinc/81/35/84/1413813584.db2.gz LLODGXCJIIOPQN-IBGZPJMESA-N 1 1 389.459 3.338 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)Cc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000120851457 1413926608 /nfs/dbraw/zinc/92/66/08/1413926608.db2.gz PADOIZIZPGGXGI-RXVVDRJESA-N 1 1 377.488 3.301 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(F)c(F)cc(F)c3F)CC2)cc1 ZINC000177493704 1428767964 /nfs/dbraw/zinc/76/79/64/1428767964.db2.gz UDUHQORQWBIBLE-UHFFFAOYSA-N 1 1 391.368 3.463 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(F)c(F)cc(F)c3F)CC2)cc1 ZINC000177493704 1428767967 /nfs/dbraw/zinc/76/79/67/1428767967.db2.gz UDUHQORQWBIBLE-UHFFFAOYSA-N 1 1 391.368 3.463 20 30 GGEDMO N#Cc1ccccc1N1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000120925606 1413950195 /nfs/dbraw/zinc/95/01/95/1413950195.db2.gz UTNUERWARJLMIH-JOCHJYFZSA-N 1 1 377.488 3.438 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000121031148 1413982754 /nfs/dbraw/zinc/98/27/54/1413982754.db2.gz ODKYHTKDOKCHDN-FQEVSTJZSA-N 1 1 392.455 3.493 20 30 GGEDMO CC(C)(C)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc(-c2nc[nH]n2)no1 ZINC000121037036 1413985004 /nfs/dbraw/zinc/98/50/04/1413985004.db2.gz KANGYSFHTSSLLP-MRXNPFEDSA-N 1 1 395.467 3.414 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1 ZINC000121037934 1413985710 /nfs/dbraw/zinc/98/57/10/1413985710.db2.gz JAXCJTIJJMVOPH-WFASDCNBSA-N 1 1 381.440 3.023 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N ZINC000121082669 1414000802 /nfs/dbraw/zinc/00/08/02/1414000802.db2.gz UWNMVQCRMGIEOA-QGZVFWFLSA-N 1 1 395.551 3.301 20 30 GGEDMO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1 ZINC000121107985 1414010462 /nfs/dbraw/zinc/01/04/62/1414010462.db2.gz MZQRWRZJVIIUMC-UHFFFAOYSA-N 1 1 393.487 3.465 20 30 GGEDMO CN(CCC#N)c1ccc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1 ZINC000121140103 1414021561 /nfs/dbraw/zinc/02/15/61/1414021561.db2.gz BSDBEEFUIDHMOF-MRXNPFEDSA-N 1 1 394.483 3.082 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@@H]2CCSC2)c1C#N ZINC000121144888 1414023330 /nfs/dbraw/zinc/02/33/30/1414023330.db2.gz ITKWAIBEAGHAJH-MRXNPFEDSA-N 1 1 386.521 3.384 20 30 GGEDMO C[NH+](C)[C@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000121150163 1414025230 /nfs/dbraw/zinc/02/52/30/1414025230.db2.gz BGUSUFCFBJAWPE-GRERDSQWSA-N 1 1 378.476 3.062 20 30 GGEDMO CC(C)[N@@H+]1C[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000121169631 1414031843 /nfs/dbraw/zinc/03/18/43/1414031843.db2.gz AYSQVGVSLQZPJB-ACAXCVFMSA-N 1 1 384.524 3.276 20 30 GGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000121320647 1414082651 /nfs/dbraw/zinc/08/26/51/1414082651.db2.gz YSOPDJBLRIMJOJ-MRXNPFEDSA-N 1 1 384.867 3.466 20 30 GGEDMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCN(c2cccs2)CC1 ZINC000121458785 1414133357 /nfs/dbraw/zinc/13/33/57/1414133357.db2.gz HUNPOLXACZUBNZ-INIZCTEOSA-N 1 1 389.484 3.107 20 30 GGEDMO CC(C)[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])c1cccnc1 ZINC000177559760 1428793421 /nfs/dbraw/zinc/79/34/21/1428793421.db2.gz DONPFRYOKZLYBQ-QGZVFWFLSA-N 1 1 389.503 3.481 20 30 GGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1Cl ZINC000177583729 1428803144 /nfs/dbraw/zinc/80/31/44/1428803144.db2.gz GZAKECMDXVJCBY-SFHVURJKSA-N 1 1 391.899 3.200 20 30 GGEDMO CN(C)c1ccccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000122181585 1414381976 /nfs/dbraw/zinc/38/19/76/1414381976.db2.gz HQOLGQFZOQFYCS-UHFFFAOYSA-N 1 1 377.448 3.194 20 30 GGEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000122418490 1414453583 /nfs/dbraw/zinc/45/35/83/1414453583.db2.gz RBGWOHNDQJKVIZ-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000122418490 1414453587 /nfs/dbraw/zinc/45/35/87/1414453587.db2.gz RBGWOHNDQJKVIZ-UHFFFAOYSA-N 1 1 378.432 3.123 20 30 GGEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1csc(C2CC2)n1 ZINC000122419328 1414454354 /nfs/dbraw/zinc/45/43/54/1414454354.db2.gz BFGWBDDXDNQUFG-UHFFFAOYSA-N 1 1 396.512 3.451 20 30 GGEDMO CC(C)c1ncc(Cl)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000122460008 1414467478 /nfs/dbraw/zinc/46/74/78/1414467478.db2.gz APKLBKDAVJFJIV-UHFFFAOYSA-N 1 1 397.910 3.473 20 30 GGEDMO CC(C)c1ncc(Cl)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000122460008 1414467486 /nfs/dbraw/zinc/46/74/86/1414467486.db2.gz APKLBKDAVJFJIV-UHFFFAOYSA-N 1 1 397.910 3.473 20 30 GGEDMO N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000122493802 1414481232 /nfs/dbraw/zinc/48/12/32/1414481232.db2.gz WNAHDAPDZRJFFC-RTWAWAEBSA-N 1 1 395.528 3.233 20 30 GGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000122601089 1414513004 /nfs/dbraw/zinc/51/30/04/1414513004.db2.gz ZETLWMBGXKTPHH-HNNXBMFYSA-N 1 1 389.443 3.072 20 30 GGEDMO N#Cc1ccc(CNc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)s1 ZINC000122634438 1414524401 /nfs/dbraw/zinc/52/44/01/1414524401.db2.gz LIHLEZTYVADFHA-UHFFFAOYSA-N 1 1 388.468 3.032 20 30 GGEDMO COCCCOC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000122639735 1414526416 /nfs/dbraw/zinc/52/64/16/1414526416.db2.gz LAVGFPNBKOQMAR-UHFFFAOYSA-N 1 1 383.492 3.255 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000122646388 1414527931 /nfs/dbraw/zinc/52/79/31/1414527931.db2.gz AAGMVEWIMGSXRF-RTWAWAEBSA-N 1 1 378.476 3.268 20 30 GGEDMO COCCCOC1CC[NH+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000122748132 1414555413 /nfs/dbraw/zinc/55/54/13/1414555413.db2.gz ZLPZTYRSHFCHDG-CJLVFECKSA-N 1 1 386.536 3.385 20 30 GGEDMO Cn1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(-c2cccnc2)n1 ZINC000122812092 1414570683 /nfs/dbraw/zinc/57/06/83/1414570683.db2.gz FORPFCIEJGDNCK-UHFFFAOYSA-N 1 1 386.503 3.062 20 30 GGEDMO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2cccnc2)n1 ZINC000122812092 1414570689 /nfs/dbraw/zinc/57/06/89/1414570689.db2.gz FORPFCIEJGDNCK-UHFFFAOYSA-N 1 1 386.503 3.062 20 30 GGEDMO Cn1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2cccnc2)n1 ZINC000122812092 1414570696 /nfs/dbraw/zinc/57/06/96/1414570696.db2.gz FORPFCIEJGDNCK-UHFFFAOYSA-N 1 1 386.503 3.062 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000122816922 1414572320 /nfs/dbraw/zinc/57/23/20/1414572320.db2.gz ZGZFAEGRWPPACP-UHFFFAOYSA-N 1 1 390.531 3.103 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000122816922 1414572325 /nfs/dbraw/zinc/57/23/25/1414572325.db2.gz ZGZFAEGRWPPACP-UHFFFAOYSA-N 1 1 390.531 3.103 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000122816922 1414572331 /nfs/dbraw/zinc/57/23/31/1414572331.db2.gz ZGZFAEGRWPPACP-UHFFFAOYSA-N 1 1 390.531 3.103 20 30 GGEDMO COCCOc1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122836330 1414577178 /nfs/dbraw/zinc/57/71/78/1414577178.db2.gz ASSLKGYGWGAQFV-UHFFFAOYSA-N 1 1 379.504 3.291 20 30 GGEDMO COCCOc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122836330 1414577184 /nfs/dbraw/zinc/57/71/84/1414577184.db2.gz ASSLKGYGWGAQFV-UHFFFAOYSA-N 1 1 379.504 3.291 20 30 GGEDMO COCCOc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000122836330 1414577191 /nfs/dbraw/zinc/57/71/91/1414577191.db2.gz ASSLKGYGWGAQFV-UHFFFAOYSA-N 1 1 379.504 3.291 20 30 GGEDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177654651 1428823594 /nfs/dbraw/zinc/82/35/94/1428823594.db2.gz HIROCEXJQBGVKF-UHFFFAOYSA-N 1 1 397.422 3.334 20 30 GGEDMO C=CCN(Cc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000123187405 1414663361 /nfs/dbraw/zinc/66/33/61/1414663361.db2.gz HCFBWUXXUJAMMF-UHFFFAOYSA-N 1 1 379.504 3.417 20 30 GGEDMO CCCC[N@@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000123427850 1414727206 /nfs/dbraw/zinc/72/72/06/1414727206.db2.gz BICMYBSNQDUMTL-UHFFFAOYSA-N 1 1 382.508 3.058 20 30 GGEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C#N)c(Cl)c3)c2)CCO1 ZINC000123506300 1414755696 /nfs/dbraw/zinc/75/56/96/1414755696.db2.gz RKUNHASLZGQNJC-HNNXBMFYSA-N 1 1 383.879 3.362 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C#N)c(Cl)c3)c2)CCO1 ZINC000123506300 1414755703 /nfs/dbraw/zinc/75/57/03/1414755703.db2.gz RKUNHASLZGQNJC-HNNXBMFYSA-N 1 1 383.879 3.362 20 30 GGEDMO CC(C)C(=O)N1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000123531181 1414764264 /nfs/dbraw/zinc/76/42/64/1414764264.db2.gz YLDAICJXYJJUJN-UHFFFAOYSA-N 1 1 379.508 3.154 20 30 GGEDMO C[N@H+](CCOc1cccc(CNCc2cc(C#N)cs2)c1)C1CCOCC1 ZINC000177695739 1428835316 /nfs/dbraw/zinc/83/53/16/1428835316.db2.gz IMJBOHKIFWLZQT-UHFFFAOYSA-N 1 1 385.533 3.399 20 30 GGEDMO C[N@@H+](CCOc1cccc(CNCc2cc(C#N)cs2)c1)C1CCOCC1 ZINC000177695739 1428835320 /nfs/dbraw/zinc/83/53/20/1428835320.db2.gz IMJBOHKIFWLZQT-UHFFFAOYSA-N 1 1 385.533 3.399 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000123740090 1414818552 /nfs/dbraw/zinc/81/85/52/1414818552.db2.gz XIIJUXAQBNDLOM-WIYYLYMNSA-N 1 1 392.503 3.234 20 30 GGEDMO C[C@H](c1ccccc1)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(N)=O ZINC000123881604 1414841821 /nfs/dbraw/zinc/84/18/21/1414841821.db2.gz XNBHCJLXFMQOHP-CQSZACIVSA-N 1 1 384.867 3.089 20 30 GGEDMO C=CCC(CC=C)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000124135757 1414893043 /nfs/dbraw/zinc/89/30/43/1414893043.db2.gz PWNFHVQBPBPUHY-UHFFFAOYSA-N 1 1 389.471 3.193 20 30 GGEDMO Cc1nc(SCC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(C#N)c(C)c1C ZINC000124335204 1414941991 /nfs/dbraw/zinc/94/19/91/1414941991.db2.gz FFQHTWKJOWSNFA-SFHVURJKSA-N 1 1 388.581 3.455 20 30 GGEDMO C#CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000124582856 1414999045 /nfs/dbraw/zinc/99/90/45/1414999045.db2.gz KNXCLDPJJATGNN-GOTSBHOMSA-N 1 1 397.563 3.108 20 30 GGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000177777668 1428856445 /nfs/dbraw/zinc/85/64/45/1428856445.db2.gz YTMGNEQIEFMUNX-MSOLQXFVSA-N 1 1 379.460 3.429 20 30 GGEDMO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124808166 1415049124 /nfs/dbraw/zinc/04/91/24/1415049124.db2.gz QFEHLWHHPRREAL-VAMGGRTRSA-N 1 1 382.552 3.244 20 30 GGEDMO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000124808166 1415049129 /nfs/dbraw/zinc/04/91/29/1415049129.db2.gz QFEHLWHHPRREAL-VAMGGRTRSA-N 1 1 382.552 3.244 20 30 GGEDMO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000124808166 1415049135 /nfs/dbraw/zinc/04/91/35/1415049135.db2.gz QFEHLWHHPRREAL-VAMGGRTRSA-N 1 1 382.552 3.244 20 30 GGEDMO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124807714 1415049371 /nfs/dbraw/zinc/04/93/71/1415049371.db2.gz QFEHLWHHPRREAL-HSALFYBXSA-N 1 1 382.552 3.244 20 30 GGEDMO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000124807714 1415049379 /nfs/dbraw/zinc/04/93/79/1415049379.db2.gz QFEHLWHHPRREAL-HSALFYBXSA-N 1 1 382.552 3.244 20 30 GGEDMO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000124807714 1415049384 /nfs/dbraw/zinc/04/93/84/1415049384.db2.gz QFEHLWHHPRREAL-HSALFYBXSA-N 1 1 382.552 3.244 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Oc4ccc(F)cc4F)CC3)C2=O)cc1 ZINC000125058700 1415101239 /nfs/dbraw/zinc/10/12/39/1415101239.db2.gz SJYHPCHSPDOPFY-HXUWFJFHSA-N 1 1 397.425 3.485 20 30 GGEDMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000125185710 1415126371 /nfs/dbraw/zinc/12/63/71/1415126371.db2.gz MXRFTNFNFFWBDH-QGZVFWFLSA-N 1 1 379.460 3.240 20 30 GGEDMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000125185710 1415126375 /nfs/dbraw/zinc/12/63/75/1415126375.db2.gz MXRFTNFNFFWBDH-QGZVFWFLSA-N 1 1 379.460 3.240 20 30 GGEDMO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125291004 1415154167 /nfs/dbraw/zinc/15/41/67/1415154167.db2.gz RGMGDMTVHXQMNU-JKSUJKDBSA-N 1 1 381.476 3.273 20 30 GGEDMO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125291004 1415154172 /nfs/dbraw/zinc/15/41/72/1415154172.db2.gz RGMGDMTVHXQMNU-JKSUJKDBSA-N 1 1 381.476 3.273 20 30 GGEDMO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125291681 1415155015 /nfs/dbraw/zinc/15/50/15/1415155015.db2.gz RGMGDMTVHXQMNU-CVEARBPZSA-N 1 1 381.476 3.273 20 30 GGEDMO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125291681 1415155024 /nfs/dbraw/zinc/15/50/24/1415155024.db2.gz RGMGDMTVHXQMNU-CVEARBPZSA-N 1 1 381.476 3.273 20 30 GGEDMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000125487667 1415212873 /nfs/dbraw/zinc/21/28/73/1415212873.db2.gz VVKYNRPWFMMJHT-LSDHHAIUSA-N 1 1 382.512 3.269 20 30 GGEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]1C ZINC000177887755 1428883690 /nfs/dbraw/zinc/88/36/90/1428883690.db2.gz FUOUHHZYVNDXNX-ZACQAIPSSA-N 1 1 384.524 3.086 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125721962 1415262101 /nfs/dbraw/zinc/26/21/01/1415262101.db2.gz NKUBRTIPNLWKOC-LJQANCHMSA-N 1 1 383.536 3.441 20 30 GGEDMO CC[C@@H](NC(=O)NCc1ccc(C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177906747 1428888198 /nfs/dbraw/zinc/88/81/98/1428888198.db2.gz VNRJJDIOMMKRCM-YADHBBJMSA-N 1 1 392.503 3.037 20 30 GGEDMO CC[C@@H](NC(=O)NCc1ccc(C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177906747 1428888203 /nfs/dbraw/zinc/88/82/03/1428888203.db2.gz VNRJJDIOMMKRCM-YADHBBJMSA-N 1 1 392.503 3.037 20 30 GGEDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000125827213 1415291302 /nfs/dbraw/zinc/29/13/02/1415291302.db2.gz JOVWZYGPCMMKKA-BEFAXECRSA-N 1 1 387.480 3.029 20 30 GGEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000125955764 1415321802 /nfs/dbraw/zinc/32/18/02/1415321802.db2.gz PPTUINSXCDURTI-IBGZPJMESA-N 1 1 382.439 3.362 20 30 GGEDMO CN(CCC#N)C(=O)CC[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126114891 1415361330 /nfs/dbraw/zinc/36/13/30/1415361330.db2.gz YMFIUFWIMPKWGI-OAQYLSRUSA-N 1 1 375.476 3.014 20 30 GGEDMO CN(CCC#N)C(=O)CC[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126115092 1415361354 /nfs/dbraw/zinc/36/13/54/1415361354.db2.gz YMFIUFWIMPKWGI-NRFANRHFSA-N 1 1 375.476 3.014 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000126230924 1415389091 /nfs/dbraw/zinc/38/90/91/1415389091.db2.gz JXRWKWFDUXLREN-IBGZPJMESA-N 1 1 377.488 3.254 20 30 GGEDMO Cc1nc(SCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C#N)c(C)c1C ZINC000126645427 1415516210 /nfs/dbraw/zinc/51/62/10/1415516210.db2.gz SVGLNOZZXCSMRI-PXNSSMCTSA-N 1 1 398.576 3.446 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000126750978 1415547614 /nfs/dbraw/zinc/54/76/14/1415547614.db2.gz HDONTAKCYMVAPU-KRWDZBQOSA-N 1 1 375.538 3.223 20 30 GGEDMO N#Cc1ccc(OCCC[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000178031066 1428945573 /nfs/dbraw/zinc/94/55/73/1428945573.db2.gz 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C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000126959906 1415619229 /nfs/dbraw/zinc/61/92/29/1415619229.db2.gz NKNSZPFKSHMMGS-OAHLLOKOSA-N 1 1 383.423 3.322 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000126959906 1415619240 /nfs/dbraw/zinc/61/92/40/1415619240.db2.gz NKNSZPFKSHMMGS-OAHLLOKOSA-N 1 1 383.423 3.322 20 30 GGEDMO C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000126975626 1415622574 /nfs/dbraw/zinc/62/25/74/1415622574.db2.gz XGDWTWPSWCBZNE-YJBOKZPZSA-N 1 1 381.501 3.158 20 30 GGEDMO C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000126975626 1415622578 /nfs/dbraw/zinc/62/25/78/1415622578.db2.gz XGDWTWPSWCBZNE-YJBOKZPZSA-N 1 1 381.501 3.158 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1cccc(OCC#N)c1 ZINC000127021272 1415640151 /nfs/dbraw/zinc/64/01/51/1415640151.db2.gz JKWYQLFWMPCPDM-LJQANCHMSA-N 1 1 392.503 3.395 20 30 GGEDMO C=CCCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000127449169 1415782914 /nfs/dbraw/zinc/78/29/14/1415782914.db2.gz PGVWTEQWEKBEQO-KRWDZBQOSA-N 1 1 385.430 3.172 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1cccc(OCC#N)c1 ZINC000127476894 1415794914 /nfs/dbraw/zinc/79/49/14/1415794914.db2.gz NGIAMLKYPAWNRY-QRQCMCJISA-N 1 1 391.515 3.404 20 30 GGEDMO C#CCOc1ccc(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000127493508 1415800489 /nfs/dbraw/zinc/80/04/89/1415800489.db2.gz RMHUFQKJOJLBBQ-FQEVSTJZSA-N 1 1 377.488 3.008 20 30 GGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1CC(F)(F)F ZINC000127949535 1415881896 /nfs/dbraw/zinc/88/18/96/1415881896.db2.gz FFBVGDIONHZXCV-GFCCVEGCSA-N 1 1 388.821 3.109 20 30 GGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCN1CC(F)(F)F ZINC000127949535 1415881897 /nfs/dbraw/zinc/88/18/97/1415881897.db2.gz FFBVGDIONHZXCV-GFCCVEGCSA-N 1 1 388.821 3.109 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)cc1 ZINC000128233787 1415945024 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MPYPOFORKKZJFG-UHFFFAOYSA-N 1 1 391.928 3.399 20 30 GGEDMO C[C@H]1C[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000129046331 1416133018 /nfs/dbraw/zinc/13/30/18/1416133018.db2.gz XWEKRQCGOYTWJO-VHJHTJHASA-N 1 1 382.508 3.173 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[N@H+]1C1CC1 ZINC000129046812 1416133296 /nfs/dbraw/zinc/13/32/96/1416133296.db2.gz XWEKRQCGOYTWJO-DGZYCVBISA-N 1 1 382.508 3.173 20 30 GGEDMO C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1=S ZINC000129291098 1416186032 /nfs/dbraw/zinc/18/60/32/1416186032.db2.gz ATGCLFCEAJIVSK-MSOLQXFVSA-N 1 1 384.553 3.036 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)COc1ccccc1C#N ZINC000129541601 1416224770 /nfs/dbraw/zinc/22/47/70/1416224770.db2.gz QTCNIKNHQKSGGS-UHFFFAOYSA-N 1 1 389.455 3.478 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)COc1ccccc1C#N ZINC000129541601 1416224775 /nfs/dbraw/zinc/22/47/75/1416224775.db2.gz QTCNIKNHQKSGGS-UHFFFAOYSA-N 1 1 389.455 3.478 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccnc(OC4CCC4)c3)CC2)cc1 ZINC000129587311 1416233107 /nfs/dbraw/zinc/23/31/07/1416233107.db2.gz SEVNHSLELWICMX-UHFFFAOYSA-N 1 1 390.487 3.233 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccnc(OC4CCC4)c3)CC2)cc1 ZINC000129587311 1416233113 /nfs/dbraw/zinc/23/31/13/1416233113.db2.gz SEVNHSLELWICMX-UHFFFAOYSA-N 1 1 390.487 3.233 20 30 GGEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)cn1 ZINC000129770917 1416261368 /nfs/dbraw/zinc/26/13/68/1416261368.db2.gz ZJGIMSNPNREERC-IBGZPJMESA-N 1 1 386.459 3.158 20 30 GGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129809367 1416267121 /nfs/dbraw/zinc/26/71/21/1416267121.db2.gz POHXISBSNLTAJB-KEYYUXOJSA-N 1 1 383.521 3.215 20 30 GGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129809367 1416267125 /nfs/dbraw/zinc/26/71/25/1416267125.db2.gz POHXISBSNLTAJB-KEYYUXOJSA-N 1 1 383.521 3.215 20 30 GGEDMO CC(C)[C@H](CC[N@@H+](C)CC(=O)NC1(C#N)CCCCC1)NC(=O)OC(C)(C)C ZINC000178467724 1429084181 /nfs/dbraw/zinc/08/41/81/1429084181.db2.gz TZJCQKYXMSDVJV-KRWDZBQOSA-N 1 1 394.560 3.200 20 30 GGEDMO CCOC(=O)CC1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000130365986 1416365670 /nfs/dbraw/zinc/36/56/70/1416365670.db2.gz SQWDBBDKZJUMBY-UHFFFAOYSA-N 1 1 385.508 3.215 20 30 GGEDMO C[C@H]1C[C@@H](N(C)C(=O)CNc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000130828650 1416461898 /nfs/dbraw/zinc/46/18/98/1416461898.db2.gz LQEOHVBPCJJZEW-AVRDEDQJSA-N 1 1 376.504 3.482 20 30 GGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000130828785 1416461931 /nfs/dbraw/zinc/46/19/31/1416461931.db2.gz ZMPFBPYREHSSPK-OAQYLSRUSA-N 1 1 376.435 3.101 20 30 GGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000130844077 1416465549 /nfs/dbraw/zinc/46/55/49/1416465549.db2.gz AEAQAAVDTAIQEV-NRFANRHFSA-N 1 1 376.435 3.101 20 30 GGEDMO N#Cc1ccc(OCC[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000130868739 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WGEDSWOQCHETSK-HUUCEWRRSA-N 1 1 397.548 3.124 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131696327 1416598838 /nfs/dbraw/zinc/59/88/38/1416598838.db2.gz PGNLDBVHRGJMBC-UZLBHIALSA-N 1 1 382.439 3.009 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131696327 1416598841 /nfs/dbraw/zinc/59/88/41/1416598841.db2.gz PGNLDBVHRGJMBC-UZLBHIALSA-N 1 1 382.439 3.009 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000131818320 1416628090 /nfs/dbraw/zinc/62/80/90/1416628090.db2.gz WZXUXEGTAAGXDR-SFHVURJKSA-N 1 1 393.487 3.069 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000131827667 1416630537 /nfs/dbraw/zinc/63/05/37/1416630537.db2.gz MPMSVRGZSJMDET-LJQANCHMSA-N 1 1 377.488 3.254 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1C ZINC000131834752 1416631401 /nfs/dbraw/zinc/63/14/01/1416631401.db2.gz LZRIJGWVCRDHTH-HXUWFJFHSA-N 1 1 399.535 3.068 20 30 GGEDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)c(Cl)c3)C2)cc(OC)c1 ZINC000131870605 1416638366 /nfs/dbraw/zinc/63/83/66/1416638366.db2.gz PJKKQUBXXPNIPL-KRWDZBQOSA-N 1 1 399.878 3.233 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)c(Cl)c3)C2)cc(OC)c1 ZINC000131870605 1416638374 /nfs/dbraw/zinc/63/83/74/1416638374.db2.gz PJKKQUBXXPNIPL-KRWDZBQOSA-N 1 1 399.878 3.233 20 30 GGEDMO C[C@@H](Sc1ccccn1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000131906210 1416648026 /nfs/dbraw/zinc/64/80/26/1416648026.db2.gz OBSGYNHFRGWQDM-QGZVFWFLSA-N 1 1 380.517 3.168 20 30 GGEDMO C[C@@H](Sc1ccccn1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000131906210 1416648038 /nfs/dbraw/zinc/64/80/38/1416648038.db2.gz OBSGYNHFRGWQDM-QGZVFWFLSA-N 1 1 380.517 3.168 20 30 GGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178590893 1429115638 /nfs/dbraw/zinc/11/56/38/1429115638.db2.gz OHIXKZPDTZDNCZ-KRWDZBQOSA-N 1 1 384.524 3.254 20 30 GGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178590893 1429115650 /nfs/dbraw/zinc/11/56/50/1429115650.db2.gz OHIXKZPDTZDNCZ-KRWDZBQOSA-N 1 1 384.524 3.254 20 30 GGEDMO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCC1 ZINC000178592408 1429115801 /nfs/dbraw/zinc/11/58/01/1429115801.db2.gz YZBVKFAMFHXAME-QGZVFWFLSA-N 1 1 384.524 3.230 20 30 GGEDMO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCC1 ZINC000178592396 1429115957 /nfs/dbraw/zinc/11/59/57/1429115957.db2.gz YZBVKFAMFHXAME-KRWDZBQOSA-N 1 1 384.524 3.230 20 30 GGEDMO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132227029 1416720075 /nfs/dbraw/zinc/72/00/75/1416720075.db2.gz SBGHXIZBCSMBHQ-RXVVDRJESA-N 1 1 377.488 3.449 20 30 GGEDMO COC(=O)c1ccc(COc2ccc(C[NH+]3CCC(C#N)CC3)cc2OC)o1 ZINC000132257251 1416724784 /nfs/dbraw/zinc/72/47/84/1416724784.db2.gz JHYATOXTXJMBIE-UHFFFAOYSA-N 1 1 384.432 3.389 20 30 GGEDMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178613169 1429122107 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/nfs/dbraw/zinc/21/87/03/1429218703.db2.gz DVSXOPUCVKBCEU-KRWDZBQOSA-N 1 1 380.410 3.175 20 30 GGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000151235766 1417899204 /nfs/dbraw/zinc/89/92/04/1417899204.db2.gz AVOQQKFFCPFPSO-UHFFFAOYSA-N 1 1 392.503 3.435 20 30 GGEDMO NC(=[NH+]OCC(=O)NCc1cccc(COCc2ccco2)c1)C1CCCCC1 ZINC000151305399 1417921244 /nfs/dbraw/zinc/92/12/44/1417921244.db2.gz WZYCZLWALNWLDR-UHFFFAOYSA-N 1 1 399.491 3.482 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000151834937 1418097750 /nfs/dbraw/zinc/09/77/50/1418097750.db2.gz UIHBGJZEYFDANG-NRFANRHFSA-N 1 1 386.540 3.227 20 30 GGEDMO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000152054740 1418131433 /nfs/dbraw/zinc/13/14/33/1418131433.db2.gz RTMHCOZQSPVICH-IBGZPJMESA-N 1 1 382.508 3.048 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1Cl ZINC000152125182 1418151305 /nfs/dbraw/zinc/15/13/05/1418151305.db2.gz IHLQCYFXGQRVEW-OAHLLOKOSA-N 1 1 398.898 3.415 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000152125182 1418151308 /nfs/dbraw/zinc/15/13/08/1418151308.db2.gz IHLQCYFXGQRVEW-OAHLLOKOSA-N 1 1 398.898 3.415 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000152125182 1418151316 /nfs/dbraw/zinc/15/13/16/1418151316.db2.gz IHLQCYFXGQRVEW-OAHLLOKOSA-N 1 1 398.898 3.415 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1Cl ZINC000152125097 1418151542 /nfs/dbraw/zinc/15/15/42/1418151542.db2.gz IHLQCYFXGQRVEW-HNNXBMFYSA-N 1 1 398.898 3.415 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000152125097 1418151546 /nfs/dbraw/zinc/15/15/46/1418151546.db2.gz IHLQCYFXGQRVEW-HNNXBMFYSA-N 1 1 398.898 3.415 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1Cl ZINC000152125097 1418151551 /nfs/dbraw/zinc/15/15/51/1418151551.db2.gz IHLQCYFXGQRVEW-HNNXBMFYSA-N 1 1 398.898 3.415 20 30 GGEDMO CCN(CC)C(=O)c1ccc(NC(=O)CO[NH+]=C(N)C2CCCCCC2)cc1 ZINC000179005085 1429240803 /nfs/dbraw/zinc/24/08/03/1429240803.db2.gz FBXHGPVWSYVRSV-UHFFFAOYSA-N 1 1 388.512 3.366 20 30 GGEDMO CCC[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@H+]1CCOC ZINC000179281215 1429313072 /nfs/dbraw/zinc/31/30/72/1429313072.db2.gz NZZUQSYNPPZDNB-QGZVFWFLSA-N 1 1 375.517 3.079 20 30 GGEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000179382010 1429351896 /nfs/dbraw/zinc/35/18/96/1429351896.db2.gz GMAQMXHTZHKBMS-UHFFFAOYSA-N 1 1 388.515 3.136 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496618 1429395223 /nfs/dbraw/zinc/39/52/23/1429395223.db2.gz MESJCGUKBCIKJA-OALUTQOASA-N 1 1 382.508 3.030 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179496618 1429395228 /nfs/dbraw/zinc/39/52/28/1429395228.db2.gz MESJCGUKBCIKJA-OALUTQOASA-N 1 1 382.508 3.030 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179496618 1429395238 /nfs/dbraw/zinc/39/52/38/1429395238.db2.gz MESJCGUKBCIKJA-OALUTQOASA-N 1 1 382.508 3.030 20 30 GGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179497803 1429395522 /nfs/dbraw/zinc/39/55/22/1429395522.db2.gz MQKHRAMVZJEDFM-REOHEROTSA-N 1 1 398.555 3.181 20 30 GGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179497803 1429395530 /nfs/dbraw/zinc/39/55/30/1429395530.db2.gz MQKHRAMVZJEDFM-REOHEROTSA-N 1 1 398.555 3.181 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000179624774 1429475795 /nfs/dbraw/zinc/47/57/95/1429475795.db2.gz GTAOXZGKCDXBKW-NRFANRHFSA-N 1 1 397.906 3.370 20 30 GGEDMO C[C@H](c1ccncc1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000179666848 1429498596 /nfs/dbraw/zinc/49/85/96/1429498596.db2.gz XGZIZIKIXFOEDC-OAHLLOKOSA-N 1 1 375.394 3.261 20 30 GGEDMO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000179666848 1429498601 /nfs/dbraw/zinc/49/86/01/1429498601.db2.gz XGZIZIKIXFOEDC-OAHLLOKOSA-N 1 1 375.394 3.261 20 30 GGEDMO COCCC[N@@H+](C)CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000152335883 1422075462 /nfs/dbraw/zinc/07/54/62/1422075462.db2.gz ALNVETSILKPFHV-UHFFFAOYSA-N 1 1 383.517 3.408 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1Cl ZINC000152354264 1422081937 /nfs/dbraw/zinc/08/19/37/1422081937.db2.gz KIFKOZBKKIVJIW-QGZVFWFLSA-N 1 1 376.932 3.169 20 30 GGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152399351 1422093087 /nfs/dbraw/zinc/09/30/87/1422093087.db2.gz PQYDWXIWEQFJNR-HZPDHXFCSA-N 1 1 388.581 3.489 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CC2(O)CCCC2)c1C#N ZINC000152445142 1422105796 /nfs/dbraw/zinc/10/57/96/1422105796.db2.gz RMGKSGLYTKWCAC-UHFFFAOYSA-N 1 1 394.519 3.200 20 30 GGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1C#N ZINC000152479343 1422114720 /nfs/dbraw/zinc/11/47/20/1422114720.db2.gz FUWQFIYHZGIDMH-GOSISDBHSA-N 1 1 385.556 3.304 20 30 GGEDMO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152618040 1422169204 /nfs/dbraw/zinc/16/92/04/1422169204.db2.gz IHYQLENUEVTMEO-NRFANRHFSA-N 1 1 394.560 3.152 20 30 GGEDMO COc1ccccc1COC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000179748632 1429535783 /nfs/dbraw/zinc/53/57/83/1429535783.db2.gz BRIDGFSOZLZESI-UHFFFAOYSA-N 1 1 379.460 3.187 20 30 GGEDMO CC[C@H](C)Oc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000179748711 1429536968 /nfs/dbraw/zinc/53/69/68/1429536968.db2.gz DVBPXJMFQTYGQT-SFHVURJKSA-N 1 1 392.503 3.479 20 30 GGEDMO CC[C@H](C)Oc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000179748711 1429536972 /nfs/dbraw/zinc/53/69/72/1429536972.db2.gz DVBPXJMFQTYGQT-SFHVURJKSA-N 1 1 392.503 3.479 20 30 GGEDMO COc1ccccc1COC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000179752032 1429538867 /nfs/dbraw/zinc/53/88/67/1429538867.db2.gz GMRKHIHJBBSLOM-GOSISDBHSA-N 1 1 399.535 3.407 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000152757495 1422238471 /nfs/dbraw/zinc/23/84/71/1422238471.db2.gz DKOLILJPMFDICB-INIZCTEOSA-N 1 1 393.528 3.363 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000152757902 1422239050 /nfs/dbraw/zinc/23/90/50/1422239050.db2.gz WUKYFEYIPIHGGT-KRWDZBQOSA-N 1 1 375.538 3.223 20 30 GGEDMO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1C[C@@H]3CCC[C@@H]3C1)CCCC2 ZINC000152773785 1422243630 /nfs/dbraw/zinc/24/36/30/1422243630.db2.gz IAYDYKDASHXLSH-FGTMMUONSA-N 1 1 396.535 3.088 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccc(C#N)cc1 ZINC000179756901 1429542685 /nfs/dbraw/zinc/54/26/85/1429542685.db2.gz KTYUVGDKVYCHGG-OAQYLSRUSA-N 1 1 377.488 3.319 20 30 GGEDMO Cn1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(-c2cccs2)n1 ZINC000179762440 1429546738 /nfs/dbraw/zinc/54/67/38/1429546738.db2.gz SESLYURHKGLXPU-UHFFFAOYSA-N 1 1 381.480 3.482 20 30 GGEDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000153036732 1422334961 /nfs/dbraw/zinc/33/49/61/1422334961.db2.gz LZAGRSGUXBLVOR-CABCVRRESA-N 1 1 375.538 3.453 20 30 GGEDMO N#Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000153080060 1422349340 /nfs/dbraw/zinc/34/93/40/1422349340.db2.gz QZLDEQGNDWIMCL-IBGZPJMESA-N 1 1 383.879 3.098 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1C#N ZINC000153080545 1422350094 /nfs/dbraw/zinc/35/00/94/1422350094.db2.gz MDSYUUTUZOUNTI-BEFAXECRSA-N 1 1 380.492 3.140 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000153189220 1422387126 /nfs/dbraw/zinc/38/71/26/1422387126.db2.gz HMNXUCWGBMVSHC-QGZVFWFLSA-N 1 1 389.565 3.128 20 30 GGEDMO CC(C)[N@H+](CCC(=O)Nc1sccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000153263213 1422426469 /nfs/dbraw/zinc/42/64/69/1422426469.db2.gz PESRLEASSGITDC-UHFFFAOYSA-N 1 1 395.488 3.095 20 30 GGEDMO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000153263213 1422426472 /nfs/dbraw/zinc/42/64/72/1422426472.db2.gz PESRLEASSGITDC-UHFFFAOYSA-N 1 1 395.488 3.095 20 30 GGEDMO N#Cc1csc(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000179788838 1429564550 /nfs/dbraw/zinc/56/45/50/1429564550.db2.gz MQOKRKMYNOYPOT-UHFFFAOYSA-N 1 1 399.545 3.482 20 30 GGEDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000153586408 1422633971 /nfs/dbraw/zinc/63/39/71/1422633971.db2.gz MGAQVSLDQAKJQX-UHFFFAOYSA-N 1 1 378.432 3.398 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153676735 1422698198 /nfs/dbraw/zinc/69/81/98/1422698198.db2.gz XUMARBZYMNRWGD-QFIPXVFZSA-N 1 1 396.466 3.156 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153676735 1422698210 /nfs/dbraw/zinc/69/82/10/1422698210.db2.gz XUMARBZYMNRWGD-QFIPXVFZSA-N 1 1 396.466 3.156 20 30 GGEDMO C[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C[NH+]1CCOCC1 ZINC000153719264 1422720396 /nfs/dbraw/zinc/72/03/96/1422720396.db2.gz HKRIGHUEMJCWKX-QGZVFWFLSA-N 1 1 394.475 3.440 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153764110 1422744811 /nfs/dbraw/zinc/74/48/11/1422744811.db2.gz QPHNQTJZDMBUIB-JOCHJYFZSA-N 1 1 378.476 3.017 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153764110 1422744821 /nfs/dbraw/zinc/74/48/21/1422744821.db2.gz QPHNQTJZDMBUIB-JOCHJYFZSA-N 1 1 378.476 3.017 20 30 GGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC[C@@H]21 ZINC000153969549 1422818943 /nfs/dbraw/zinc/81/89/43/1422818943.db2.gz JQPWLWWIFGENHG-MJGOQNOKSA-N 1 1 379.460 3.287 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000153973699 1422819307 /nfs/dbraw/zinc/81/93/07/1422819307.db2.gz VEJPCTMPTZXFFF-HZPDHXFCSA-N 1 1 376.526 3.028 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000153973601 1422819392 /nfs/dbraw/zinc/81/93/92/1422819392.db2.gz VEJPCTMPTZXFFF-CVEARBPZSA-N 1 1 376.526 3.028 20 30 GGEDMO Cc1cc(N2CCC[C@H](OC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)nc(C)[nH+]1 ZINC000154015568 1422825997 /nfs/dbraw/zinc/82/59/97/1422825997.db2.gz XHTUJAQLXAPYAH-IBGZPJMESA-N 1 1 394.475 3.335 20 30 GGEDMO Cc1nsc(N2CCC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000154067798 1422835033 /nfs/dbraw/zinc/83/50/33/1422835033.db2.gz COWIXZMHCGXQFX-UHFFFAOYSA-N 1 1 396.438 3.309 20 30 GGEDMO Cc1nsc(N2CCC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000154067798 1422835034 /nfs/dbraw/zinc/83/50/34/1422835034.db2.gz COWIXZMHCGXQFX-UHFFFAOYSA-N 1 1 396.438 3.309 20 30 GGEDMO C=CCc1ccc(OCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000154112915 1422842252 /nfs/dbraw/zinc/84/22/52/1422842252.db2.gz XRKVGPGGXXJYTB-AZUAARDMSA-N 1 1 384.520 3.278 20 30 GGEDMO C=CCc1ccc(OCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000154112848 1422842360 /nfs/dbraw/zinc/84/23/60/1422842360.db2.gz XRKVGPGGXXJYTB-QUCCMNQESA-N 1 1 384.520 3.278 20 30 GGEDMO COCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000154447019 1422889851 /nfs/dbraw/zinc/88/98/51/1422889851.db2.gz RCSTVNWREQEHHT-OAQYLSRUSA-N 1 1 377.488 3.450 20 30 GGEDMO C[N@@H+](CCOCc1ccccc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000154538831 1422911880 /nfs/dbraw/zinc/91/18/80/1422911880.db2.gz XWKHWIQNYRAGDT-LJQANCHMSA-N 1 1 386.455 3.372 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cn1 ZINC000154572224 1422938244 /nfs/dbraw/zinc/93/82/44/1422938244.db2.gz XZQXZJWESOOESR-NRFANRHFSA-N 1 1 389.459 3.167 20 30 GGEDMO Cc1cccc(NC(=O)N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000154590130 1422948086 /nfs/dbraw/zinc/94/80/86/1422948086.db2.gz FFGLOPHHOWNNGR-UHFFFAOYSA-N 1 1 391.475 3.045 20 30 GGEDMO C=CCN(CCCn1cc[nH+]c1C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000154728390 1423013734 /nfs/dbraw/zinc/01/37/34/1423013734.db2.gz JJBVABNLQJXBKS-UHFFFAOYSA-N 1 1 387.427 3.477 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000154735182 1423015846 /nfs/dbraw/zinc/01/58/46/1423015846.db2.gz UXBYPPQLDLWKDN-SFHVURJKSA-N 1 1 384.524 3.438 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000154892480 1423070186 /nfs/dbraw/zinc/07/01/86/1423070186.db2.gz JKJJWLASPPQYDN-UHFFFAOYSA-N 1 1 392.503 3.026 20 30 GGEDMO C#CCCCCNC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000154948869 1423088909 /nfs/dbraw/zinc/08/89/09/1423088909.db2.gz LBTJFZIQSZKTKY-UHFFFAOYSA-N 1 1 386.540 3.116 20 30 GGEDMO C=CCN(C)Cn1nc([C@H](CC)[NH+](C)C)n(-c2ccc(OC)cc2)c1=S ZINC000154978204 1423098068 /nfs/dbraw/zinc/09/80/68/1423098068.db2.gz IRVAQQJTTNHSHA-KRWDZBQOSA-N 1 1 375.542 3.500 20 30 GGEDMO C=CCOc1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1OC ZINC000154987239 1423099797 /nfs/dbraw/zinc/09/97/97/1423099797.db2.gz BKBCYHOIAUDRAS-GOSISDBHSA-N 1 1 375.490 3.136 20 30 GGEDMO CC#CCC[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000155047346 1423134189 /nfs/dbraw/zinc/13/41/89/1423134189.db2.gz OYJYGFMXYTWYIY-UHFFFAOYSA-N 1 1 378.398 3.286 20 30 GGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155114652 1423174770 /nfs/dbraw/zinc/17/47/70/1423174770.db2.gz GTRZQERMEYCDHH-QGZVFWFLSA-N 1 1 375.513 3.005 20 30 GGEDMO COc1cc(N[C@@H]2CCC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)cc(OC)c1 ZINC000155141852 1423193166 /nfs/dbraw/zinc/19/31/66/1423193166.db2.gz BDGWMWJKLKZMOJ-GOSISDBHSA-N 1 1 394.475 3.090 20 30 GGEDMO COc1cc(N[C@@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)cc(OC)c1 ZINC000155141852 1423193169 /nfs/dbraw/zinc/19/31/69/1423193169.db2.gz BDGWMWJKLKZMOJ-GOSISDBHSA-N 1 1 394.475 3.090 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179892415 1429627395 /nfs/dbraw/zinc/62/73/95/1429627395.db2.gz NCTOEMHMZFXSQW-IBGZPJMESA-N 1 1 397.486 3.381 20 30 GGEDMO Cc1sc(NC(=O)C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c(C#N)c1C ZINC000155251791 1423275675 /nfs/dbraw/zinc/27/56/75/1423275675.db2.gz RWQVWDUMPZWFTH-UHFFFAOYSA-N 1 1 390.553 3.240 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000155539719 1423408136 /nfs/dbraw/zinc/40/81/36/1423408136.db2.gz MAANDFFURNZBPY-SFHVURJKSA-N 1 1 387.524 3.064 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc1C ZINC000155558719 1423417386 /nfs/dbraw/zinc/41/73/86/1423417386.db2.gz SCSNOOFDVAQAKZ-UHFFFAOYSA-N 1 1 386.540 3.081 20 30 GGEDMO COc1ccc(C[N@@H+](CC(=O)Nc2sccc2C#N)[C@H](CO)C(C)C)cc1 ZINC000179919867 1429641188 /nfs/dbraw/zinc/64/11/88/1429641188.db2.gz DTSGPLRIPVYBND-GOSISDBHSA-N 1 1 387.505 3.086 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000155642357 1423463844 /nfs/dbraw/zinc/46/38/44/1423463844.db2.gz IGBZAGBUGQLJGF-AWEZNQCLSA-N 1 1 391.397 3.000 20 30 GGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000155642357 1423463848 /nfs/dbraw/zinc/46/38/48/1423463848.db2.gz IGBZAGBUGQLJGF-AWEZNQCLSA-N 1 1 391.397 3.000 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)CC[C@@H]21 ZINC000155774535 1423529153 /nfs/dbraw/zinc/52/91/53/1423529153.db2.gz DEICKYMOZZTESN-PXNSSMCTSA-N 1 1 379.460 3.287 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1Cl ZINC000155898797 1423584347 /nfs/dbraw/zinc/58/43/47/1423584347.db2.gz QIFNNXJPGPOWRP-UHFFFAOYSA-N 1 1 388.821 3.110 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000156022384 1423637655 /nfs/dbraw/zinc/63/76/55/1423637655.db2.gz QWQHUWPIDXRKQW-LAUBAEHRSA-N 1 1 397.519 3.055 20 30 GGEDMO CC[NH+](CC)CCCNC(=O)C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000156181597 1423708806 /nfs/dbraw/zinc/70/88/06/1423708806.db2.gz YRPATCDDJLABMT-UHFFFAOYSA-N 1 1 389.971 3.252 20 30 GGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000156481284 1423816273 /nfs/dbraw/zinc/81/62/73/1423816273.db2.gz VNFFJJMJERJULZ-UHFFFAOYSA-N 1 1 375.469 3.016 20 30 GGEDMO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000156486634 1423816933 /nfs/dbraw/zinc/81/69/33/1423816933.db2.gz YVPUBURLKRHZLK-AVRDEDQJSA-N 1 1 393.487 3.009 20 30 GGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000156654275 1423841719 /nfs/dbraw/zinc/84/17/19/1423841719.db2.gz DUBUFJIXANQMIK-UHFFFAOYSA-N 1 1 378.520 3.361 20 30 GGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000156660780 1423842965 /nfs/dbraw/zinc/84/29/65/1423842965.db2.gz HJQWEHJVYHMZHW-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000156660780 1423842968 /nfs/dbraw/zinc/84/29/68/1423842968.db2.gz HJQWEHJVYHMZHW-UHFFFAOYSA-N 1 1 377.488 3.234 20 30 GGEDMO COc1cccc(OCC[NH+]2CCN(CC#Cc3cccc(Cl)c3)CC2)c1 ZINC000157200441 1423953658 /nfs/dbraw/zinc/95/36/58/1423953658.db2.gz HGSGQLCYKYSFMQ-UHFFFAOYSA-N 1 1 384.907 3.397 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000157339788 1423988953 /nfs/dbraw/zinc/98/89/53/1423988953.db2.gz MNSLWIMTZRWSCM-XLIONFOSSA-N 1 1 382.508 3.083 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000157349825 1423991958 /nfs/dbraw/zinc/99/19/58/1423991958.db2.gz MBLYQSCZQPTQSO-INIZCTEOSA-N 1 1 377.448 3.219 20 30 GGEDMO C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000157442022 1424011808 /nfs/dbraw/zinc/01/18/08/1424011808.db2.gz OTBBFYLKPFWWAN-DNVCBOLYSA-N 1 1 381.501 3.158 20 30 GGEDMO C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000157442022 1424011817 /nfs/dbraw/zinc/01/18/17/1424011817.db2.gz OTBBFYLKPFWWAN-DNVCBOLYSA-N 1 1 381.501 3.158 20 30 GGEDMO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)[nH]1 ZINC000157483260 1424021316 /nfs/dbraw/zinc/02/13/16/1424021316.db2.gz UVNVEZWXOGTIPW-UHFFFAOYSA-N 1 1 399.498 3.456 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000157508687 1424026638 /nfs/dbraw/zinc/02/66/38/1424026638.db2.gz OHBROOROQZCSMZ-URXFXBBRSA-N 1 1 387.483 3.399 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000157508687 1424026646 /nfs/dbraw/zinc/02/66/46/1424026646.db2.gz OHBROOROQZCSMZ-URXFXBBRSA-N 1 1 387.483 3.399 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000157508531 1424026745 /nfs/dbraw/zinc/02/67/45/1424026745.db2.gz OHBROOROQZCSMZ-XUZZJYLKSA-N 1 1 387.483 3.399 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000157508531 1424026750 /nfs/dbraw/zinc/02/67/50/1424026750.db2.gz OHBROOROQZCSMZ-XUZZJYLKSA-N 1 1 387.483 3.399 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000157561109 1424038347 /nfs/dbraw/zinc/03/83/47/1424038347.db2.gz MGQDKDHPJJTNSN-CVEARBPZSA-N 1 1 395.956 3.487 20 30 GGEDMO C#Cc1cccc(NC(=O)C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000157714494 1424072071 /nfs/dbraw/zinc/07/20/71/1424072071.db2.gz MCRGIBCQBOOLDZ-SFHVURJKSA-N 1 1 381.520 3.110 20 30 GGEDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000157835597 1424099401 /nfs/dbraw/zinc/09/94/01/1424099401.db2.gz PERWJDLTNAGNJS-YLJYHZDGSA-N 1 1 383.517 3.232 20 30 GGEDMO CC(C)N(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000157921113 1424119992 /nfs/dbraw/zinc/11/99/92/1424119992.db2.gz IGDNMLYJOVFTHV-QFIPXVFZSA-N 1 1 378.520 3.188 20 30 GGEDMO CC(C)N(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000157921269 1424120068 /nfs/dbraw/zinc/12/00/68/1424120068.db2.gz IGDNMLYJOVFTHV-JOCHJYFZSA-N 1 1 378.520 3.188 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000158051660 1424149563 /nfs/dbraw/zinc/14/95/63/1424149563.db2.gz JNOYTIRYCKTDRE-LJQANCHMSA-N 1 1 382.460 3.332 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000158081947 1424160164 /nfs/dbraw/zinc/16/01/64/1424160164.db2.gz JRUZAUWSCLPGHZ-MGPUTAFESA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000158081947 1424160171 /nfs/dbraw/zinc/16/01/71/1424160171.db2.gz JRUZAUWSCLPGHZ-MGPUTAFESA-N 1 1 380.448 3.191 20 30 GGEDMO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180029786 1429703478 /nfs/dbraw/zinc/70/34/78/1429703478.db2.gz SFHQTGXREXPIAZ-UHFFFAOYSA-N 1 1 380.492 3.488 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180035870 1429706502 /nfs/dbraw/zinc/70/65/02/1429706502.db2.gz RNJNPKMUPMHOPW-FJIDUMEYSA-N 1 1 386.496 3.083 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180035870 1429706507 /nfs/dbraw/zinc/70/65/07/1429706507.db2.gz RNJNPKMUPMHOPW-FJIDUMEYSA-N 1 1 386.496 3.083 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000158398276 1424244947 /nfs/dbraw/zinc/24/49/47/1424244947.db2.gz JFFQJYBCXMXLHH-MGPUTAFESA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000158398276 1424244950 /nfs/dbraw/zinc/24/49/50/1424244950.db2.gz JFFQJYBCXMXLHH-MGPUTAFESA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000158398430 1424245346 /nfs/dbraw/zinc/24/53/46/1424245346.db2.gz JFFQJYBCXMXLHH-FOIQADDNSA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000158398430 1424245352 /nfs/dbraw/zinc/24/53/52/1424245352.db2.gz JFFQJYBCXMXLHH-FOIQADDNSA-N 1 1 380.448 3.191 20 30 GGEDMO C=CCC[C@H]([NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C)c1ccccc1 ZINC000180049279 1429713541 /nfs/dbraw/zinc/71/35/41/1429713541.db2.gz GDGRIGAQSKCBKK-HNNXBMFYSA-N 1 1 379.489 3.440 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000158910652 1424370113 /nfs/dbraw/zinc/37/01/13/1424370113.db2.gz NMMTYHNFCBIKBK-XLIONFOSSA-N 1 1 388.943 3.311 20 30 GGEDMO C[NH+]1CCN([C@@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000159290645 1424475299 /nfs/dbraw/zinc/47/52/99/1424475299.db2.gz BEICBDDMLPGYKQ-WOJBJXKFSA-N 1 1 382.895 3.010 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000159540170 1424511756 /nfs/dbraw/zinc/51/17/56/1424511756.db2.gz OJQVFKHUNNZRTQ-QRWLVFNGSA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000159540170 1424511763 /nfs/dbraw/zinc/51/17/63/1424511763.db2.gz OJQVFKHUNNZRTQ-QRWLVFNGSA-N 1 1 380.448 3.191 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)C[C@H]2CCC[C@@H]2O)c1C#N ZINC000159658950 1424521414 /nfs/dbraw/zinc/52/14/14/1424521414.db2.gz GZNQRGVYTKPAOD-XLIONFOSSA-N 1 1 398.507 3.039 20 30 GGEDMO CCOCC[NH+]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000159727569 1424527960 /nfs/dbraw/zinc/52/79/60/1424527960.db2.gz PSINZWBHLLZFKY-UHFFFAOYSA-N 1 1 378.476 3.096 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000159944480 1424554686 /nfs/dbraw/zinc/55/46/86/1424554686.db2.gz OZQDQUCRLXSXLD-DYESRHJHSA-N 1 1 392.503 3.387 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000159999635 1424561685 /nfs/dbraw/zinc/56/16/85/1424561685.db2.gz SNGHMFRSONTZBG-XLIONFOSSA-N 1 1 383.517 3.232 20 30 GGEDMO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000160006939 1424561947 /nfs/dbraw/zinc/56/19/47/1424561947.db2.gz FJHZTIKGNISUKN-PGRDOPGGSA-N 1 1 397.544 3.373 20 30 GGEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160039515 1424565937 /nfs/dbraw/zinc/56/59/37/1424565937.db2.gz BEWPEAMDPYCULB-IBGZPJMESA-N 1 1 397.567 3.351 20 30 GGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000160049144 1424566916 /nfs/dbraw/zinc/56/69/16/1424566916.db2.gz FKIHWPLROZWMFW-SFHVURJKSA-N 1 1 386.540 3.399 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccs3)CC2)c(OC)c1 ZINC000160313225 1424594262 /nfs/dbraw/zinc/59/42/62/1424594262.db2.gz SXMXQWCHRMXWFS-SFHVURJKSA-N 1 1 388.533 3.047 20 30 GGEDMO C[N@@H+](CCN1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1)Cc1ccccc1 ZINC000160607436 1424618739 /nfs/dbraw/zinc/61/87/39/1424618739.db2.gz LNAGUSIUWMLBNM-UHFFFAOYSA-N 1 1 396.922 3.101 20 30 GGEDMO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[N@H+](C)C[C@@H]2C(C)C)c1=S ZINC000160908233 1424643441 /nfs/dbraw/zinc/64/34/41/1424643441.db2.gz UCFLLIYKMUOPAC-GOSISDBHSA-N 1 1 386.569 3.282 20 30 GGEDMO COc1ccc(CNC(=O)C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)cc1 ZINC000160926295 1424645261 /nfs/dbraw/zinc/64/52/61/1424645261.db2.gz NYJVAGGLOGNSMT-UHFFFAOYSA-N 1 1 381.451 3.234 20 30 GGEDMO COC(=O)c1csc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000161044315 1424654297 /nfs/dbraw/zinc/65/42/97/1424654297.db2.gz SCXZVBWIJZBCKC-UHFFFAOYSA-N 1 1 398.488 3.146 20 30 GGEDMO COC(=O)c1csc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000161044315 1424654302 /nfs/dbraw/zinc/65/43/02/1424654302.db2.gz SCXZVBWIJZBCKC-UHFFFAOYSA-N 1 1 398.488 3.146 20 30 GGEDMO C#CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000161149736 1424662689 /nfs/dbraw/zinc/66/26/89/1424662689.db2.gz KXCNYHBPMVVZRV-UHFFFAOYSA-N 1 1 384.426 3.371 20 30 GGEDMO CC(C)n1cc(C#N)c(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000161190939 1424665496 /nfs/dbraw/zinc/66/54/96/1424665496.db2.gz MNSRXLHSMCMNRR-IYBDPMFKSA-N 1 1 381.480 3.197 20 30 GGEDMO CC(C)n1cc(C#N)c(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000161190939 1424665501 /nfs/dbraw/zinc/66/55/01/1424665501.db2.gz MNSRXLHSMCMNRR-IYBDPMFKSA-N 1 1 381.480 3.197 20 30 GGEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)CNc3cccc(C#N)c3)c2)C[C@@H](C)O1 ZINC000161382032 1424684061 /nfs/dbraw/zinc/68/40/61/1424684061.db2.gz NTIWJQUOOQVIMM-IAGOWNOFSA-N 1 1 378.476 3.218 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CNc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000161381757 1424684133 /nfs/dbraw/zinc/68/41/33/1424684133.db2.gz NTIWJQUOOQVIMM-CALCHBBNSA-N 1 1 378.476 3.218 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CNc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000161381757 1424684146 /nfs/dbraw/zinc/68/41/46/1424684146.db2.gz NTIWJQUOOQVIMM-CALCHBBNSA-N 1 1 378.476 3.218 20 30 GGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000161429128 1424688815 /nfs/dbraw/zinc/68/88/15/1424688815.db2.gz YJSCCMAFGBIOOF-FPOVZHCZSA-N 1 1 396.462 3.226 20 30 GGEDMO C[C@@H]1C[C@H](N(C)C(=O)CNc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000161486408 1424694442 /nfs/dbraw/zinc/69/44/42/1424694442.db2.gz ZJGNDNBDMJJGPO-XMSQKQJNSA-N 1 1 376.504 3.482 20 30 GGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000161881836 1424786928 /nfs/dbraw/zinc/78/69/28/1424786928.db2.gz QASQNVPDVDRQDF-INIZCTEOSA-N 1 1 382.489 3.430 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000162031520 1424810424 /nfs/dbraw/zinc/81/04/24/1424810424.db2.gz OBIRJKODPOXHSM-UWJYYQICSA-N 1 1 392.503 3.244 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000162031401 1424810497 /nfs/dbraw/zinc/81/04/97/1424810497.db2.gz OBIRJKODPOXHSM-UTKZUKDTSA-N 1 1 392.503 3.244 20 30 GGEDMO CC(C)(C)OC1CC[NH+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000162245165 1424830227 /nfs/dbraw/zinc/83/02/27/1424830227.db2.gz UURVAXVGJJMQDO-UHFFFAOYSA-N 1 1 396.453 3.453 20 30 GGEDMO C[C@H]1CCC[C@H](CO)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162339541 1424839507 /nfs/dbraw/zinc/83/95/07/1424839507.db2.gz PONWKNTUTALUHN-LSDHHAIUSA-N 1 1 375.538 3.453 20 30 GGEDMO COc1cc(C)cc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000162679396 1424879244 /nfs/dbraw/zinc/87/92/44/1424879244.db2.gz ILLGXJNVYMFVRY-UHFFFAOYSA-N 1 1 392.503 3.293 20 30 GGEDMO C=CCn1c(-c2cccnc2)nn(CN(C)CCCn2cc[nH+]c2C)c1=S ZINC000162838450 1424895278 /nfs/dbraw/zinc/89/52/78/1424895278.db2.gz WOVAGFRCZJCMOQ-UHFFFAOYSA-N 1 1 383.525 3.147 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000162850019 1424896813 /nfs/dbraw/zinc/89/68/13/1424896813.db2.gz CSWVFLZBMGOIRJ-SFHVURJKSA-N 1 1 384.480 3.147 20 30 GGEDMO C[C@@H](c1cccnc1)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180156010 1429768002 /nfs/dbraw/zinc/76/80/02/1429768002.db2.gz SWXBPQIDULSXKD-SFHVURJKSA-N 1 1 386.503 3.233 20 30 GGEDMO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180156010 1429768036 /nfs/dbraw/zinc/76/80/36/1429768036.db2.gz SWXBPQIDULSXKD-SFHVURJKSA-N 1 1 386.503 3.233 20 30 GGEDMO C=CCc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c(O)c(OC)c1 ZINC000163909756 1425056959 /nfs/dbraw/zinc/05/69/59/1425056959.db2.gz UCHQSLYJERVHBF-UHFFFAOYSA-N 1 1 380.488 3.477 20 30 GGEDMO C[C@H](CCNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@@H+](C)Cc1ccccc1 ZINC000164129853 1425079919 /nfs/dbraw/zinc/07/99/19/1425079919.db2.gz IDHCIZPCFKXUKQ-MRXNPFEDSA-N 1 1 389.496 3.027 20 30 GGEDMO C=CCc1cc(OC)cc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1O ZINC000164392992 1425106920 /nfs/dbraw/zinc/10/69/20/1425106920.db2.gz RXXVKJPKAHCAJC-UHFFFAOYSA-N 1 1 376.394 3.147 20 30 GGEDMO C=C(C)C[NH+]1CCC(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)CC1 ZINC000164418079 1425109099 /nfs/dbraw/zinc/10/90/99/1425109099.db2.gz DYXABAJUTABAJA-UHFFFAOYSA-N 1 1 385.537 3.029 20 30 GGEDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180170709 1429778712 /nfs/dbraw/zinc/77/87/12/1429778712.db2.gz MNUKKLNJYRZDCI-UHFFFAOYSA-N 1 1 377.404 3.165 20 30 GGEDMO C=CCn1c(-c2ccccn2)nn(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1=S ZINC000164666572 1425133521 /nfs/dbraw/zinc/13/35/21/1425133521.db2.gz AFGFAAMUXPUMOO-WMZOPIPTSA-N 1 1 384.553 3.036 20 30 GGEDMO Cc1ccccc1C[N@H+]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000164781875 1425142326 /nfs/dbraw/zinc/14/23/26/1425142326.db2.gz HTZKAVZZTXAWBE-UHFFFAOYSA-N 1 1 376.504 3.403 20 30 GGEDMO Cc1ccccc1CN1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000164781875 1425142336 /nfs/dbraw/zinc/14/23/36/1425142336.db2.gz HTZKAVZZTXAWBE-UHFFFAOYSA-N 1 1 376.504 3.403 20 30 GGEDMO Cc1ccccc1CN1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000164781875 1425142349 /nfs/dbraw/zinc/14/23/49/1425142349.db2.gz HTZKAVZZTXAWBE-UHFFFAOYSA-N 1 1 376.504 3.403 20 30 GGEDMO CCOc1ccc(NC(=O)CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000165549467 1425185058 /nfs/dbraw/zinc/18/50/58/1425185058.db2.gz YVHLUQVYUDDRIY-GOSISDBHSA-N 1 1 392.503 3.274 20 30 GGEDMO CC(C)Oc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000168884603 1425240820 /nfs/dbraw/zinc/24/08/20/1425240820.db2.gz MNMNIIVCKFBXMH-UHFFFAOYSA-N 1 1 378.476 3.089 20 30 GGEDMO CC(C)Oc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000168884603 1425240835 /nfs/dbraw/zinc/24/08/35/1425240835.db2.gz MNMNIIVCKFBXMH-UHFFFAOYSA-N 1 1 378.476 3.089 20 30 GGEDMO N#CCOc1ccccc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000170636471 1425269589 /nfs/dbraw/zinc/26/95/89/1425269589.db2.gz XAXMZSISDKBZCM-UHFFFAOYSA-N 1 1 377.488 3.370 20 30 GGEDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000170652751 1425278916 /nfs/dbraw/zinc/27/89/16/1425278916.db2.gz KFQPBZKNVMZJBU-KRWDZBQOSA-N 1 1 386.496 3.218 20 30 GGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCCC[NH+]1CCOCC1 ZINC000170684941 1425297728 /nfs/dbraw/zinc/29/77/28/1425297728.db2.gz QJDQYWRLLBUTRF-UHFFFAOYSA-N 1 1 394.475 3.495 20 30 GGEDMO C[NH+]1CCN([C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)CC1 ZINC000170856740 1425371056 /nfs/dbraw/zinc/37/10/56/1425371056.db2.gz XHHNSYHEDLTXQN-FQEVSTJZSA-N 1 1 394.544 3.426 20 30 GGEDMO C[NH+]1CCN([C@@H](C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2)CC1 ZINC000170856742 1425371466 /nfs/dbraw/zinc/37/14/66/1425371466.db2.gz XHHNSYHEDLTXQN-HXUWFJFHSA-N 1 1 394.544 3.426 20 30 GGEDMO COc1cccc(C2CC[NH+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000170874170 1425376712 /nfs/dbraw/zinc/37/67/12/1425376712.db2.gz PANQFNYMPXQJRE-OAQYLSRUSA-N 1 1 389.455 3.078 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170918130 1425390478 /nfs/dbraw/zinc/39/04/78/1425390478.db2.gz CMZORNNVJWONFG-HZPDHXFCSA-N 1 1 386.496 3.074 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170918130 1425390484 /nfs/dbraw/zinc/39/04/84/1425390484.db2.gz CMZORNNVJWONFG-HZPDHXFCSA-N 1 1 386.496 3.074 20 30 GGEDMO COCC[N@@H+](C)CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000171128608 1425495894 /nfs/dbraw/zinc/49/58/94/1425495894.db2.gz GLGRGRDSVKSOSZ-UHFFFAOYSA-N 1 1 383.517 3.159 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C)O1 ZINC000171154003 1425511767 /nfs/dbraw/zinc/51/17/67/1425511767.db2.gz CJAZARCYOKEMIM-JZXOWHBKSA-N 1 1 387.528 3.220 20 30 GGEDMO C=C(Br)CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000171195931 1425534054 /nfs/dbraw/zinc/53/40/54/1425534054.db2.gz PWJKKLIPYKRHEJ-UHFFFAOYSA-N 1 1 380.330 3.245 20 30 GGEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@H](C)O1 ZINC000171298786 1425602244 /nfs/dbraw/zinc/60/22/44/1425602244.db2.gz SQWFWRSNGQVBQG-CALCHBBNSA-N 1 1 384.524 3.120 20 30 GGEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C[C@H](C)O1 ZINC000171298786 1425602254 /nfs/dbraw/zinc/60/22/54/1425602254.db2.gz SQWFWRSNGQVBQG-CALCHBBNSA-N 1 1 384.524 3.120 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000171536477 1425721526 /nfs/dbraw/zinc/72/15/26/1425721526.db2.gz SGCBHIKBHIYGMJ-UHFFFAOYSA-N 1 1 380.457 3.227 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000171588486 1425749058 /nfs/dbraw/zinc/74/90/58/1425749058.db2.gz XVJYNGLKYMSILV-OAHLLOKOSA-N 1 1 386.496 3.122 20 30 GGEDMO C=CCn1c(C)nn(CN2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)c1=S ZINC000171607580 1425757263 /nfs/dbraw/zinc/75/72/63/1425757263.db2.gz VHPLYHJUVSMUCH-INIZCTEOSA-N 1 1 387.553 3.253 20 30 GGEDMO COc1cccc([C@H](C)[NH+]2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000171705441 1425795459 /nfs/dbraw/zinc/79/54/59/1425795459.db2.gz PEGTZKOSOYJABR-SFHVURJKSA-N 1 1 392.503 3.274 20 30 GGEDMO COc1cccc([C@H](C)[NH+]2CCN(CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000171705614 1425795529 /nfs/dbraw/zinc/79/55/29/1425795529.db2.gz QSYSFYGHXVIENX-SFHVURJKSA-N 1 1 392.503 3.274 20 30 GGEDMO COc1cccc([C@H](C)N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000171706566 1425796459 /nfs/dbraw/zinc/79/64/59/1425796459.db2.gz JLMDSQJWYWTCTD-INIZCTEOSA-N 1 1 398.532 3.336 20 30 GGEDMO COc1cccc([C@H](C)[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000171706711 1425797611 /nfs/dbraw/zinc/79/76/11/1425797611.db2.gz KLHZVWBQPIAJST-ZWKOTPCHSA-N 1 1 392.503 3.273 20 30 GGEDMO C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000171711009 1425799076 /nfs/dbraw/zinc/79/90/76/1425799076.db2.gz GSKMABIJKGUAQK-FQEVSTJZSA-N 1 1 390.959 3.427 20 30 GGEDMO C[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000171863749 1425838104 /nfs/dbraw/zinc/83/81/04/1425838104.db2.gz BQNMLTNXNBGRDL-IBGZPJMESA-N 1 1 388.515 3.044 20 30 GGEDMO C[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000171863749 1425838105 /nfs/dbraw/zinc/83/81/05/1425838105.db2.gz BQNMLTNXNBGRDL-IBGZPJMESA-N 1 1 388.515 3.044 20 30 GGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)Cn2c[nH+]c(C)c2C)cc1 ZINC000171993894 1425869208 /nfs/dbraw/zinc/86/92/08/1425869208.db2.gz QXJJLDIHCKIWID-UHFFFAOYSA-N 1 1 377.448 3.426 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)C1 ZINC000172054761 1425884069 /nfs/dbraw/zinc/88/40/69/1425884069.db2.gz SSQGDOYMLSVZSA-SJLPKXTDSA-N 1 1 389.544 3.373 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OCC)[C@H](C)C1 ZINC000172112638 1425899425 /nfs/dbraw/zinc/89/94/25/1425899425.db2.gz MWEOGVSFJBRQOM-AEFFLSMTSA-N 1 1 388.512 3.215 20 30 GGEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000172258493 1425971587 /nfs/dbraw/zinc/97/15/87/1425971587.db2.gz FUXVEBXGRVTIPQ-YJBOKZPZSA-N 1 1 399.495 3.017 20 30 GGEDMO CC[C@H](C#N)Oc1cc(CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)ccc1OC ZINC000172258498 1425971760 /nfs/dbraw/zinc/97/17/60/1425971760.db2.gz FUXVEBXGRVTIPQ-MAUKXSAKSA-N 1 1 399.495 3.017 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172417011 1426034401 /nfs/dbraw/zinc/03/44/01/1426034401.db2.gz WYXNKPUDUPPQRU-UHFFFAOYSA-N 1 1 385.508 3.203 20 30 GGEDMO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000172475077 1426053909 /nfs/dbraw/zinc/05/39/09/1426053909.db2.gz SVKGLINLUJTBJH-JFIYKMOQSA-N 1 1 386.496 3.062 20 30 GGEDMO N#Cc1ccccc1CSCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172523062 1426070974 /nfs/dbraw/zinc/07/09/74/1426070974.db2.gz ZEAINNAAXDCEJQ-UHFFFAOYSA-N 1 1 386.565 3.451 20 30 GGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172583672 1426097665 /nfs/dbraw/zinc/09/76/65/1426097665.db2.gz JVACNRGPBXXFJS-HNNXBMFYSA-N 1 1 386.565 3.386 20 30 GGEDMO COc1ccc(N2CCC[N@@H+](CCOc3ccc(C#N)cc3OC)CC2)cc1 ZINC000172651559 1426127971 /nfs/dbraw/zinc/12/79/71/1426127971.db2.gz OUJULBPJCYWKBH-UHFFFAOYSA-N 1 1 381.476 3.167 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000172674265 1426137666 /nfs/dbraw/zinc/13/76/66/1426137666.db2.gz YMBFIZUYKGHJIQ-QGZVFWFLSA-N 1 1 389.546 3.119 20 30 GGEDMO CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000172691686 1426144867 /nfs/dbraw/zinc/14/48/67/1426144867.db2.gz QMRBCKNNPAYGBF-NRFANRHFSA-N 1 1 398.551 3.323 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000172700072 1426150132 /nfs/dbraw/zinc/15/01/32/1426150132.db2.gz NLEAGFMYVKGCKB-LJQANCHMSA-N 1 1 392.503 3.395 20 30 GGEDMO C[C@@H](c1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1)[NH+]1CCOCC1 ZINC000173137500 1426359760 /nfs/dbraw/zinc/35/97/60/1426359760.db2.gz GBZFLGTWBTVYCD-HNNXBMFYSA-N 1 1 382.439 3.412 20 30 GGEDMO Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000173177579 1426379151 /nfs/dbraw/zinc/37/91/51/1426379151.db2.gz AJKKIFSYZWMFLK-HSZRJFAPSA-N 1 1 389.499 3.213 20 30 GGEDMO Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[N@@H+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000173177579 1426379155 /nfs/dbraw/zinc/37/91/55/1426379155.db2.gz AJKKIFSYZWMFLK-HSZRJFAPSA-N 1 1 389.499 3.213 20 30 GGEDMO CCN1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000173210465 1426395832 /nfs/dbraw/zinc/39/58/32/1426395832.db2.gz ZYHKXTDHNDLEKW-UHFFFAOYSA-N 1 1 396.466 3.456 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173262280 1426440729 /nfs/dbraw/zinc/44/07/29/1426440729.db2.gz DZFXZEZNKOLCPE-IBGZPJMESA-N 1 1 385.508 3.107 20 30 GGEDMO N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000173284077 1426462775 /nfs/dbraw/zinc/46/27/75/1426462775.db2.gz MBLQWUAQKNMDQX-HXUWFJFHSA-N 1 1 396.535 3.094 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000173307051 1426489245 /nfs/dbraw/zinc/48/92/45/1426489245.db2.gz JEEXQUQXWRYOKU-UHFFFAOYSA-N 1 1 395.484 3.262 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000173307051 1426489253 /nfs/dbraw/zinc/48/92/53/1426489253.db2.gz JEEXQUQXWRYOKU-UHFFFAOYSA-N 1 1 395.484 3.262 20 30 GGEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccn(CCC#N)n2)C1 ZINC000173333631 1426514953 /nfs/dbraw/zinc/51/49/53/1426514953.db2.gz FAIFNZXYWBHECZ-KRWDZBQOSA-N 1 1 380.496 3.350 20 30 GGEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccn(CCC#N)n2)C1 ZINC000173333615 1426515422 /nfs/dbraw/zinc/51/54/22/1426515422.db2.gz FAIFNZXYWBHECZ-QGZVFWFLSA-N 1 1 380.496 3.350 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000173334894 1426516235 /nfs/dbraw/zinc/51/62/35/1426516235.db2.gz KCVKWGUJIDRTNM-QGZVFWFLSA-N 1 1 380.496 3.493 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(CCC#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000173338036 1426518108 /nfs/dbraw/zinc/51/81/08/1426518108.db2.gz QQGCASMYELEMIS-MJGOQNOKSA-N 1 1 380.496 3.314 20 30 GGEDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(CCC#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000173338053 1426518319 /nfs/dbraw/zinc/51/83/19/1426518319.db2.gz QQGCASMYELEMIS-HKUYNNGSSA-N 1 1 380.496 3.314 20 30 GGEDMO C=CCn1c(-c2cccnc2)nn(CN2CC[C@@H](C[N@H+](C)CCC)C2)c1=S ZINC000173445258 1426625363 /nfs/dbraw/zinc/62/53/63/1426625363.db2.gz XQYUAQMEAGAUSK-KRWDZBQOSA-N 1 1 386.569 3.283 20 30 GGEDMO CCCCCNC(=O)C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173523031 1426696043 /nfs/dbraw/zinc/69/60/43/1426696043.db2.gz CPJARTMRQBFHML-UHFFFAOYSA-N 1 1 381.480 3.127 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)nc1 ZINC000173560101 1426730312 /nfs/dbraw/zinc/73/03/12/1426730312.db2.gz IYLUETZJAKCFHG-UHFFFAOYSA-N 1 1 376.382 3.217 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173699588 1426824751 /nfs/dbraw/zinc/82/47/51/1426824751.db2.gz KJYGWKURWCBGEO-HXUWFJFHSA-N 1 1 393.487 3.069 20 30 GGEDMO CC1(C)CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000173816646 1426859229 /nfs/dbraw/zinc/85/92/29/1426859229.db2.gz KIBLYVMHEBYQIX-INIZCTEOSA-N 1 1 384.524 3.088 20 30 GGEDMO CC1(C)CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000173816646 1426859234 /nfs/dbraw/zinc/85/92/34/1426859234.db2.gz KIBLYVMHEBYQIX-INIZCTEOSA-N 1 1 384.524 3.088 20 30 GGEDMO N#CCSCCC[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000173859769 1426873373 /nfs/dbraw/zinc/87/33/73/1426873373.db2.gz JJSOWUKMVVOHCR-UHFFFAOYSA-N 1 1 391.928 3.154 20 30 GGEDMO CC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000173906102 1426887183 /nfs/dbraw/zinc/88/71/83/1426887183.db2.gz ARLSZSACHBTDFN-HZPDHXFCSA-N 1 1 388.581 3.347 20 30 GGEDMO CC(C)OCC[NH+]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000173919941 1426891958 /nfs/dbraw/zinc/89/19/58/1426891958.db2.gz IAZIYAOXCBHPQA-UHFFFAOYSA-N 1 1 376.863 3.446 20 30 GGEDMO CC[N@H+](CC(=O)Nc1sccc1C#N)CC1CCN(c2ccccn2)CC1 ZINC000173971934 1426916767 /nfs/dbraw/zinc/91/67/67/1426916767.db2.gz FPRRETIFTMOYGJ-UHFFFAOYSA-N 1 1 383.521 3.192 20 30 GGEDMO Cc1oc(NC(=O)CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000173996287 1426933444 /nfs/dbraw/zinc/93/34/44/1426933444.db2.gz BKSUBTXXDUEAJG-INIZCTEOSA-N 1 1 380.492 3.303 20 30 GGEDMO Cc1oc(NC(=O)CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000173996302 1426933669 /nfs/dbraw/zinc/93/36/69/1426933669.db2.gz BKSUBTXXDUEAJG-MRXNPFEDSA-N 1 1 380.492 3.303 20 30 GGEDMO C=CCOc1ccccc1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174045594 1426968153 /nfs/dbraw/zinc/96/81/53/1426968153.db2.gz AWOFBWGRWSCIIC-UHFFFAOYSA-N 1 1 395.503 3.130 20 30 GGEDMO C=CCOc1ccccc1C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000174045594 1426968166 /nfs/dbraw/zinc/96/81/66/1426968166.db2.gz AWOFBWGRWSCIIC-UHFFFAOYSA-N 1 1 395.503 3.130 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@@H]3CCCOC3)sc2C1 ZINC000174148477 1427021257 /nfs/dbraw/zinc/02/12/57/1427021257.db2.gz AWRXBVMVBCFROH-GJZGRUSLSA-N 1 1 375.538 3.432 20 30 GGEDMO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)c2)cc1 ZINC000174191442 1427042015 /nfs/dbraw/zinc/04/20/15/1427042015.db2.gz FHKJXMNOCDQMKO-LJQANCHMSA-N 1 1 391.471 3.145 20 30 GGEDMO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)CC2)c1 ZINC000174191446 1427042165 /nfs/dbraw/zinc/04/21/65/1427042165.db2.gz CCGZAQWZWYIUIM-HXUWFJFHSA-N 1 1 396.535 3.376 20 30 GGEDMO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174194526 1427044075 /nfs/dbraw/zinc/04/40/75/1427044075.db2.gz WASCVKIWCHCPRC-SFHVURJKSA-N 1 1 375.472 3.020 20 30 GGEDMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cc(Br)ccc1O ZINC000174426818 1427151372 /nfs/dbraw/zinc/15/13/72/1427151372.db2.gz UVAXWKXOQYPFAZ-KRWDZBQOSA-N 1 1 382.302 3.031 20 30 GGEDMO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000174445469 1427159308 /nfs/dbraw/zinc/15/93/08/1427159308.db2.gz XLIISFFDCRPDQJ-UHFFFAOYSA-N 1 1 393.468 3.439 20 30 GGEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000174557605 1427222838 /nfs/dbraw/zinc/22/28/38/1427222838.db2.gz UCRSGBPCNPPGSB-RBUKOAKNSA-N 1 1 394.523 3.374 20 30 GGEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000174557605 1427222844 /nfs/dbraw/zinc/22/28/44/1427222844.db2.gz UCRSGBPCNPPGSB-RBUKOAKNSA-N 1 1 394.523 3.374 20 30 GGEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000174578282 1427237108 /nfs/dbraw/zinc/23/71/08/1427237108.db2.gz RUZXLEXJEIXWEE-HSZRJFAPSA-N 1 1 388.515 3.305 20 30 GGEDMO C#CCCOc1ccc(CNc2ccc(OCC[NH+]3CCN(C)CC3)cc2)cc1 ZINC000174653025 1427290017 /nfs/dbraw/zinc/29/00/17/1427290017.db2.gz YRZODTAJTAAJBA-UHFFFAOYSA-N 1 1 393.531 3.327 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)cc1 ZINC000174840594 1427398570 /nfs/dbraw/zinc/39/85/70/1427398570.db2.gz JDEHRWHMJRHUHD-GOSISDBHSA-N 1 1 377.554 3.315 20 30 GGEDMO CCC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000174947711 1427460808 /nfs/dbraw/zinc/46/08/08/1427460808.db2.gz HVYYWJNIDCJGMT-MRXNPFEDSA-N 1 1 388.581 3.491 20 30 GGEDMO C[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C2(CCCCC2)C1 ZINC000175063341 1427526474 /nfs/dbraw/zinc/52/64/74/1427526474.db2.gz IDYSULYUIVMTBS-UHFFFAOYSA-N 1 1 386.565 3.387 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC000175164254 1427576649 /nfs/dbraw/zinc/57/66/49/1427576649.db2.gz NTORVJUOHIFHTN-NRFANRHFSA-N 1 1 390.487 3.171 20 30 GGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000175268848 1427636612 /nfs/dbraw/zinc/63/66/12/1427636612.db2.gz RYKYICCJIPFUHI-AYPBNUJASA-N 1 1 388.471 3.161 20 30 GGEDMO N#Cc1ccc(CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C2CC2)cc1 ZINC000175268489 1427636772 /nfs/dbraw/zinc/63/67/72/1427636772.db2.gz VIXBHPKLOVDEQO-QHCPKHFHSA-N 1 1 389.499 3.340 20 30 GGEDMO N#Cc1ccc(CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C2CC2)cc1 ZINC000175268489 1427636778 /nfs/dbraw/zinc/63/67/78/1427636778.db2.gz VIXBHPKLOVDEQO-QHCPKHFHSA-N 1 1 389.499 3.340 20 30 GGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1C#N ZINC000175270737 1427638564 /nfs/dbraw/zinc/63/85/64/1427638564.db2.gz GJRICLYQJNNEJG-KRWDZBQOSA-N 1 1 399.539 3.008 20 30 GGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1C#N ZINC000175270737 1427638569 /nfs/dbraw/zinc/63/85/69/1427638569.db2.gz GJRICLYQJNNEJG-KRWDZBQOSA-N 1 1 399.539 3.008 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COc1ccccc1C#N ZINC000175286736 1427648634 /nfs/dbraw/zinc/64/86/34/1427648634.db2.gz ATQGPXYFUPBIIY-HXUWFJFHSA-N 1 1 377.488 3.308 20 30 GGEDMO CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000175322353 1427677493 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QKGIOIGMXGNVSR-GHTZIAJQSA-N 1 1 392.503 3.441 20 30 GGEDMO N#CCSCC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175535050 1427806860 /nfs/dbraw/zinc/80/68/60/1427806860.db2.gz SQACNMOSHBMOKL-MRXNPFEDSA-N 1 1 385.455 3.156 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000175576923 1427820250 /nfs/dbraw/zinc/82/02/50/1427820250.db2.gz CETYDDWKIGHWCD-SFHVURJKSA-N 1 1 384.524 3.306 20 30 GGEDMO CCO[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000175667870 1427850534 /nfs/dbraw/zinc/85/05/34/1427850534.db2.gz HTLKVGCDODXLQP-NHCUHLMSSA-N 1 1 396.535 3.123 20 30 GGEDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000175710875 1427867029 /nfs/dbraw/zinc/86/70/29/1427867029.db2.gz QKMDHAKDZULFHF-UHFFFAOYSA-N 1 1 382.464 3.440 20 30 GGEDMO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000175813825 1427905707 /nfs/dbraw/zinc/90/57/07/1427905707.db2.gz CJHXKULZMJCPCH-IRLDBZIGSA-N 1 1 380.536 3.050 20 30 GGEDMO 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SQWHQUWGYXSMKT-KNQAVFIVSA-N 1 1 375.520 3.407 20 30 GGEDMO Cc1ccc(NC(=O)N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000180471340 1429877106 /nfs/dbraw/zinc/87/71/06/1429877106.db2.gz WRLLKZZZEJJWJV-UHFFFAOYSA-N 1 1 378.476 3.485 20 30 GGEDMO C#CCCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000180500805 1429883596 /nfs/dbraw/zinc/88/35/96/1429883596.db2.gz HGDKTIOCJANEMY-UHFFFAOYSA-N 1 1 382.460 3.176 20 30 GGEDMO C#CCCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000180500805 1429883598 /nfs/dbraw/zinc/88/35/98/1429883598.db2.gz HGDKTIOCJANEMY-UHFFFAOYSA-N 1 1 382.460 3.176 20 30 GGEDMO CCOc1ccnc(N2CCC[N@@H+](Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000180605847 1429929556 /nfs/dbraw/zinc/92/95/56/1429929556.db2.gz RFOUHQWDVXFDCQ-UHFFFAOYSA-N 1 1 395.507 3.270 20 30 GGEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000180618556 1429936065 /nfs/dbraw/zinc/93/60/65/1429936065.db2.gz YQBACQZMIAYVDT-QGZVFWFLSA-N 1 1 377.452 3.160 20 30 GGEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000180618556 1429936082 /nfs/dbraw/zinc/93/60/82/1429936082.db2.gz YQBACQZMIAYVDT-QGZVFWFLSA-N 1 1 377.452 3.160 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654934 1429959203 /nfs/dbraw/zinc/95/92/03/1429959203.db2.gz ZHIGBSSURSGBOQ-WIYYLYMNSA-N 1 1 398.507 3.057 20 30 GGEDMO CC(C)(C#N)c1ccccc1CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000180733215 1430006577 /nfs/dbraw/zinc/00/65/77/1430006577.db2.gz GEJAFODEYBNLKG-BGYRXZFFSA-N 1 1 387.483 3.105 20 30 GGEDMO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000180961220 1430137952 /nfs/dbraw/zinc/13/79/52/1430137952.db2.gz JGMJOPUHYIEQBC-BZSNNMDCSA-N 1 1 387.524 3.095 20 30 GGEDMO C[C@@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181412750 1430291528 /nfs/dbraw/zinc/29/15/28/1430291528.db2.gz GLAYJKHVVKVGBP-HXUWFJFHSA-N 1 1 378.520 3.057 20 30 GGEDMO C[C@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181412731 1430291809 /nfs/dbraw/zinc/29/18/09/1430291809.db2.gz GLAYJKHVVKVGBP-FQEVSTJZSA-N 1 1 378.520 3.057 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)CCc2ccncc2)c1C#N ZINC000181469305 1430306311 /nfs/dbraw/zinc/30/63/11/1430306311.db2.gz MAFWGYIVXPYIAX-UHFFFAOYSA-N 1 1 387.487 3.474 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)CCc2ccncc2)c1C#N ZINC000181469305 1430306315 /nfs/dbraw/zinc/30/63/15/1430306315.db2.gz MAFWGYIVXPYIAX-UHFFFAOYSA-N 1 1 387.487 3.474 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181519026 1430314088 /nfs/dbraw/zinc/31/40/88/1430314088.db2.gz YKBLWXHFYSYTAC-PKOBYXMFSA-N 1 1 399.535 3.495 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181519088 1430314144 /nfs/dbraw/zinc/31/41/44/1430314144.db2.gz YKBLWXHFYSYTAC-MJGOQNOKSA-N 1 1 399.535 3.495 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1 ZINC000181535001 1430316800 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1 390.553 3.391 20 30 GGEDMO CC(C)C[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000181943669 1430386463 /nfs/dbraw/zinc/38/64/63/1430386463.db2.gz UUWXFEAUVHSVDQ-CJNGLKHVSA-N 1 1 381.440 3.023 20 30 GGEDMO CC(C)C[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000181943688 1430386713 /nfs/dbraw/zinc/38/67/13/1430386713.db2.gz UUWXFEAUVHSVDQ-CZUORRHYSA-N 1 1 381.440 3.023 20 30 GGEDMO CC(C)C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000181946633 1430386989 /nfs/dbraw/zinc/38/69/89/1430386989.db2.gz OCPPOHLEHYMNKY-KRWDZBQOSA-N 1 1 394.483 3.082 20 30 GGEDMO CC(C)C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000181946650 1430387007 /nfs/dbraw/zinc/38/70/07/1430387007.db2.gz OCPPOHLEHYMNKY-QGZVFWFLSA-N 1 1 394.483 3.082 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCN(c4ccccc4F)C3=O)CC2)cc1 ZINC000181951388 1430387630 /nfs/dbraw/zinc/38/76/30/1430387630.db2.gz QPUCAMQDEGQRSX-OAQYLSRUSA-N 1 1 392.478 3.057 20 30 GGEDMO C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000181995701 1430393500 /nfs/dbraw/zinc/39/35/00/1430393500.db2.gz PQSIVFDKECQQBR-JPYJTQIMSA-N 1 1 388.515 3.306 20 30 GGEDMO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000182037140 1430399712 /nfs/dbraw/zinc/39/97/12/1430399712.db2.gz QIHWZZPLZRXSNR-SFHVURJKSA-N 1 1 391.471 3.145 20 30 GGEDMO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182037121 1430399884 /nfs/dbraw/zinc/39/98/84/1430399884.db2.gz QIHWZZPLZRXSNR-GOSISDBHSA-N 1 1 391.471 3.145 20 30 GGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000182054843 1430403097 /nfs/dbraw/zinc/40/30/97/1430403097.db2.gz IGTCGYQFLUXTHS-IEBWSBKVSA-N 1 1 379.460 3.207 20 30 GGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000182054843 1430403099 /nfs/dbraw/zinc/40/30/99/1430403099.db2.gz IGTCGYQFLUXTHS-IEBWSBKVSA-N 1 1 379.460 3.207 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(CC(=O)N(C)C)CC2)c1 ZINC000182226636 1430433399 /nfs/dbraw/zinc/43/33/99/1430433399.db2.gz FDMYNIADEFAHFH-IBGZPJMESA-N 1 1 398.551 3.129 20 30 GGEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000182277564 1430441814 /nfs/dbraw/zinc/44/18/14/1430441814.db2.gz ABELXAZJJWMARN-AEFFLSMTSA-N 1 1 379.426 3.183 20 30 GGEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000182277542 1430441818 /nfs/dbraw/zinc/44/18/18/1430441818.db2.gz ABELXAZJJWMARN-SJLPKXTDSA-N 1 1 379.426 3.183 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cc(C)ccc1Cl ZINC000182284219 1430442389 /nfs/dbraw/zinc/44/23/89/1430442389.db2.gz BTFKUXHBXROSAC-IBGZPJMESA-N 1 1 388.895 3.408 20 30 GGEDMO CC(C)[C@@H](CNC(=O)c1ccccc1Oc1ccccc1C#N)[NH+]1CCOCC1 ZINC000182321880 1430448216 /nfs/dbraw/zinc/44/82/16/1430448216.db2.gz XABRCYSVDHCKQT-HXUWFJFHSA-N 1 1 393.487 3.437 20 30 GGEDMO C=CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)cc1 ZINC000182560818 1430492335 /nfs/dbraw/zinc/49/23/35/1430492335.db2.gz CDZGGCHIZWWQTC-UHFFFAOYSA-N 1 1 393.487 3.168 20 30 GGEDMO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000182614740 1430502790 /nfs/dbraw/zinc/50/27/90/1430502790.db2.gz GMEPGBPNEZLXHP-UXHICEINSA-N 1 1 394.544 3.294 20 30 GGEDMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000182623042 1430504155 /nfs/dbraw/zinc/50/41/55/1430504155.db2.gz RYGZZKLJGLFLKX-AVRDEDQJSA-N 1 1 394.494 3.228 20 30 GGEDMO CN(C(=O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C1(C#N)CCCCC1 ZINC000182836888 1430550670 /nfs/dbraw/zinc/55/06/70/1430550670.db2.gz LQHCUXBSNQJUTL-HNNXBMFYSA-N 1 1 397.445 3.224 20 30 GGEDMO CN(C(=O)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)C1(C#N)CCCCC1 ZINC000182836888 1430550679 /nfs/dbraw/zinc/55/06/79/1430550679.db2.gz LQHCUXBSNQJUTL-HNNXBMFYSA-N 1 1 397.445 3.224 20 30 GGEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182886916 1430562154 /nfs/dbraw/zinc/56/21/54/1430562154.db2.gz VMYKELQVRKTRBB-UYAOXDASSA-N 1 1 392.507 3.106 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182890932 1430563782 /nfs/dbraw/zinc/56/37/82/1430563782.db2.gz YESXBJMHVOSCER-RXVVDRJESA-N 1 1 398.551 3.369 20 30 GGEDMO N#Cc1ccc(N2CCC[C@H](N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000182916340 1430570468 /nfs/dbraw/zinc/57/04/68/1430570468.db2.gz CPDGOJMZNKAOQD-QIJUGHKUSA-N 1 1 378.520 3.002 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H](N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000182916359 1430570488 /nfs/dbraw/zinc/57/04/88/1430570488.db2.gz CPDGOJMZNKAOQD-STZQEDGTSA-N 1 1 378.520 3.002 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182921670 1430572139 /nfs/dbraw/zinc/57/21/39/1430572139.db2.gz CNDWPGCSXVWNNJ-FUHWJXTLSA-N 1 1 384.524 3.377 20 30 GGEDMO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182924744 1430573145 /nfs/dbraw/zinc/57/31/45/1430573145.db2.gz XUVPUDUSESFJDL-AZUAARDMSA-N 1 1 383.492 3.109 20 30 GGEDMO C[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182926413 1430573478 /nfs/dbraw/zinc/57/34/78/1430573478.db2.gz GQOHVFKDXJSMJU-UYAOXDASSA-N 1 1 395.551 3.043 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000182985705 1430585924 /nfs/dbraw/zinc/58/59/24/1430585924.db2.gz RITQDIMOTCWTGM-QGZVFWFLSA-N 1 1 380.492 3.244 20 30 GGEDMO C[C@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000183121835 1430620316 /nfs/dbraw/zinc/62/03/16/1430620316.db2.gz MBIUUQRZFPFLBL-JTTANEKDSA-N 1 1 383.517 3.031 20 30 GGEDMO C[C@@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000183121857 1430620622 /nfs/dbraw/zinc/62/06/22/1430620622.db2.gz MBIUUQRZFPFLBL-KOXFWSKDSA-N 1 1 383.517 3.031 20 30 GGEDMO C[C@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000183122220 1430620792 /nfs/dbraw/zinc/62/07/92/1430620792.db2.gz UVKVBXLPEZMOMD-GIFVAEHTSA-N 1 1 389.565 3.015 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183171077 1430637589 /nfs/dbraw/zinc/63/75/89/1430637589.db2.gz KKIRTTLNVUUOLW-XZVJFGJNSA-N 1 1 397.544 3.340 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000183662958 1430766428 /nfs/dbraw/zinc/76/64/28/1430766428.db2.gz RNXRDMHAJDFVGW-WBVHZDCISA-N 1 1 395.956 3.487 20 30 GGEDMO CC1([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)OCCO1 ZINC000183846307 1430804280 /nfs/dbraw/zinc/80/42/80/1430804280.db2.gz ZJEIBQLHQNBTFR-MRXNPFEDSA-N 1 1 391.899 3.062 20 30 GGEDMO CC1([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)OCCO1 ZINC000183846328 1430804363 /nfs/dbraw/zinc/80/43/63/1430804363.db2.gz ZJEIBQLHQNBTFR-INIZCTEOSA-N 1 1 391.899 3.062 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183850878 1430804875 /nfs/dbraw/zinc/80/48/75/1430804875.db2.gz KDKPHWLQBWUHBD-MOPGFXCFSA-N 1 1 385.508 3.105 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc1C ZINC000183867725 1430806836 /nfs/dbraw/zinc/80/68/36/1430806836.db2.gz BOZBTKWQEFWVAU-LJQANCHMSA-N 1 1 385.508 3.025 20 30 GGEDMO CC1([C@@H]2CCC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)OCCO1 ZINC000183876045 1430807724 /nfs/dbraw/zinc/80/77/24/1430807724.db2.gz IMYYJIOYMLZRTH-QGZVFWFLSA-N 1 1 381.476 3.213 20 30 GGEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000184031523 1430831863 /nfs/dbraw/zinc/83/18/63/1430831863.db2.gz QBVGQABRFJUEMT-FQEVSTJZSA-N 1 1 390.531 3.234 20 30 GGEDMO Cc1cn(-c2ccccc2)nc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000184036434 1430832418 /nfs/dbraw/zinc/83/24/18/1430832418.db2.gz ZBZGJUHHUNTXBX-UHFFFAOYSA-N 1 1 399.498 3.401 20 30 GGEDMO Cc1cn(-c2ccccc2)nc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000184036434 1430832419 /nfs/dbraw/zinc/83/24/19/1430832419.db2.gz ZBZGJUHHUNTXBX-UHFFFAOYSA-N 1 1 399.498 3.401 20 30 GGEDMO C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000184251829 1430862473 /nfs/dbraw/zinc/86/24/73/1430862473.db2.gz MNCZNCADBMKAPJ-INIZCTEOSA-N 1 1 383.521 3.036 20 30 GGEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000184324016 1430873182 /nfs/dbraw/zinc/87/31/82/1430873182.db2.gz NOXDEKDITAALFN-IRXDYDNUSA-N 1 1 389.569 3.228 20 30 GGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000184334014 1430874478 /nfs/dbraw/zinc/87/44/78/1430874478.db2.gz ATVVQYPWFNZZJX-OAQYLSRUSA-N 1 1 385.533 3.134 20 30 GGEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000184399602 1430883151 /nfs/dbraw/zinc/88/31/51/1430883151.db2.gz ZLPQSXMFXXYWMB-SFHVURJKSA-N 1 1 392.503 3.106 20 30 GGEDMO Cc1cnc([C@H](C)CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000184459909 1430890161 /nfs/dbraw/zinc/89/01/61/1430890161.db2.gz HVPNQIIQKOXNTJ-MRXNPFEDSA-N 1 1 397.548 3.344 20 30 GGEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000184459742 1430890271 /nfs/dbraw/zinc/89/02/71/1430890271.db2.gz WAXDZRNHXZFDEV-FQEVSTJZSA-N 1 1 390.531 3.234 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000184599006 1430914690 /nfs/dbraw/zinc/91/46/90/1430914690.db2.gz OWWVBIGIMAHVAK-KRWDZBQOSA-N 1 1 396.491 3.225 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000184606936 1430918164 /nfs/dbraw/zinc/91/81/64/1430918164.db2.gz VBANGEYLTQLXQI-INIZCTEOSA-N 1 1 388.512 3.215 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000184611952 1430919093 /nfs/dbraw/zinc/91/90/93/1430919093.db2.gz BYHSAMXJBRZIBC-KRWDZBQOSA-N 1 1 388.512 3.360 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000184616798 1430920730 /nfs/dbraw/zinc/92/07/30/1430920730.db2.gz NAMKZZNKDWSIDB-GOSISDBHSA-N 1 1 388.512 3.073 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000184618437 1430921020 /nfs/dbraw/zinc/92/10/20/1430921020.db2.gz SEVYPVMWPBPAEE-UHFFFAOYSA-N 1 1 386.496 3.066 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000184619435 1430921165 /nfs/dbraw/zinc/92/11/65/1430921165.db2.gz DYRSTPXSBFSDQO-YLJYHZDGSA-N 1 1 398.507 3.064 20 30 GGEDMO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000184619471 1430921839 /nfs/dbraw/zinc/92/18/39/1430921839.db2.gz DYRSTPXSBFSDQO-FXAWDEMLSA-N 1 1 398.507 3.064 20 30 GGEDMO C=C(C)[C@H](NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000184652821 1430930972 /nfs/dbraw/zinc/93/09/72/1430930972.db2.gz ZFBJEPMIXYKTLW-JXFKEZNVSA-N 1 1 394.510 3.155 20 30 GGEDMO C=C(C)[C@@H](NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000184652782 1430931054 /nfs/dbraw/zinc/93/10/54/1430931054.db2.gz ZFBJEPMIXYKTLW-OXJNMPFZSA-N 1 1 394.510 3.155 20 30 GGEDMO CCc1cccc(CC)c1NC(=[NH2+])NCc1n[nH]c(COc2ccccc2)n1 ZINC000184654982 1430931693 /nfs/dbraw/zinc/93/16/93/1430931693.db2.gz KSQHYYUJISCQGB-UHFFFAOYSA-N 1 1 378.480 3.435 20 30 GGEDMO CCc1cccc(CC)c1NC(=[NH2+])NCc1nnc(COc2ccccc2)[nH]1 ZINC000184654982 1430931699 /nfs/dbraw/zinc/93/16/99/1430931699.db2.gz KSQHYYUJISCQGB-UHFFFAOYSA-N 1 1 378.480 3.435 20 30 GGEDMO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000184951376 1431028859 /nfs/dbraw/zinc/02/88/59/1431028859.db2.gz NTKGCWQISGZZSK-LLVKDONJSA-N 1 1 392.912 3.434 20 30 GGEDMO CCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000184953251 1431029467 /nfs/dbraw/zinc/02/94/67/1431029467.db2.gz AENILTILUSSHBV-AVRDEDQJSA-N 1 1 378.520 3.360 20 30 GGEDMO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1nc(-c2cccc(F)c2)no1 ZINC000185086095 1431057410 /nfs/dbraw/zinc/05/74/10/1431057410.db2.gz JNLAXMKSQJXSAE-NSHDSACASA-N 1 1 385.424 3.488 20 30 GGEDMO COc1cccc(-c2noc([C@@H](C)[NH2+]CCOc3ccc(C#N)cc3OC)n2)c1 ZINC000185117318 1431064695 /nfs/dbraw/zinc/06/46/95/1431064695.db2.gz WDIKOCVDWVNVOF-CQSZACIVSA-N 1 1 394.431 3.355 20 30 GGEDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3cccc(C#N)c3)n2)c1 ZINC000185134762 1431069156 /nfs/dbraw/zinc/06/91/56/1431069156.db2.gz PIWIIORGDFPQCW-AWEZNQCLSA-N 1 1 391.431 3.296 20 30 GGEDMO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000185203803 1431084302 /nfs/dbraw/zinc/08/43/02/1431084302.db2.gz YVYRQJKKTPRBAM-INIZCTEOSA-N 1 1 383.452 3.001 20 30 GGEDMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2CC2)s1 ZINC000185350050 1431122636 /nfs/dbraw/zinc/12/26/36/1431122636.db2.gz SMGBVLDHIFCNIC-GOSISDBHSA-N 1 1 392.488 3.188 20 30 GGEDMO C[C@H](c1ccsc1)[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000185452975 1431148987 /nfs/dbraw/zinc/14/89/87/1431148987.db2.gz NWLOGRYKHBRHTM-GOSISDBHSA-N 1 1 382.533 3.374 20 30 GGEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000185497612 1431158127 /nfs/dbraw/zinc/15/81/27/1431158127.db2.gz GNWDBMDFUHMWRC-UZLBHIALSA-N 1 1 380.517 3.104 20 30 GGEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000185497572 1431158196 /nfs/dbraw/zinc/15/81/96/1431158196.db2.gz GNWDBMDFUHMWRC-OXQOHEQNSA-N 1 1 380.517 3.104 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185502956 1431159416 /nfs/dbraw/zinc/15/94/16/1431159416.db2.gz FWHSDXNBTVZSJX-GOSISDBHSA-N 1 1 395.478 3.444 20 30 GGEDMO Cc1cccc(NC(=O)C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1C#N ZINC000185592781 1431178729 /nfs/dbraw/zinc/17/87/29/1431178729.db2.gz PZYLSCXXSCKHMY-NRFANRHFSA-N 1 1 392.503 3.078 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000185592251 1431178812 /nfs/dbraw/zinc/17/88/12/1431178812.db2.gz ARSWFUJFXHTAFM-OAQYLSRUSA-N 1 1 392.503 3.078 20 30 GGEDMO COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000185631788 1431189519 /nfs/dbraw/zinc/18/95/19/1431189519.db2.gz WAMUKFXWJPKXRE-UHFFFAOYSA-N 1 1 385.489 3.272 20 30 GGEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000185637647 1431191443 /nfs/dbraw/zinc/19/14/43/1431191443.db2.gz PFBXEVMKPFQGCV-SNVBAGLBSA-N 1 1 397.401 3.433 20 30 GGEDMO COc1cccc(F)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186105271 1431331580 /nfs/dbraw/zinc/33/15/80/1431331580.db2.gz SQARHGDIGBCSBE-UHFFFAOYSA-N 1 1 382.439 3.446 20 30 GGEDMO COc1cccc(F)c1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186105271 1431331589 /nfs/dbraw/zinc/33/15/89/1431331589.db2.gz SQARHGDIGBCSBE-UHFFFAOYSA-N 1 1 382.439 3.446 20 30 GGEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000186193036 1431350089 /nfs/dbraw/zinc/35/00/89/1431350089.db2.gz BMASYYMWFGKYOB-UHFFFAOYSA-N 1 1 389.908 3.108 20 30 GGEDMO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000186193036 1431350092 /nfs/dbraw/zinc/35/00/92/1431350092.db2.gz BMASYYMWFGKYOB-UHFFFAOYSA-N 1 1 389.908 3.108 20 30 GGEDMO CC(C)C[C@H]1OCCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186267539 1431366481 /nfs/dbraw/zinc/36/64/81/1431366481.db2.gz WPEMQSRQXZVSCL-FGZHOGPDSA-N 1 1 398.551 3.369 20 30 GGEDMO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186267555 1431366812 /nfs/dbraw/zinc/36/68/12/1431366812.db2.gz WPEMQSRQXZVSCL-YADHBBJMSA-N 1 1 398.551 3.369 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000186274853 1431368685 /nfs/dbraw/zinc/36/86/85/1431368685.db2.gz BPFHWXQXQYRWMK-KRWDZBQOSA-N 1 1 399.516 3.170 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC000186286255 1431372073 /nfs/dbraw/zinc/37/20/73/1431372073.db2.gz MCVZNVRFGRVSGO-FQEVSTJZSA-N 1 1 397.544 3.366 20 30 GGEDMO CCN(C(=O)COc1ccc(C#N)cc1OC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186326289 1431383262 /nfs/dbraw/zinc/38/32/62/1431383262.db2.gz CKZDIVCGCGUJGL-FQEVSTJZSA-N 1 1 393.487 3.069 20 30 GGEDMO C#CCOc1ccccc1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000186368890 1431393888 /nfs/dbraw/zinc/39/38/88/1431393888.db2.gz DPFOYFDKVFVGIH-UHFFFAOYSA-N 1 1 379.460 3.217 20 30 GGEDMO COC(=O)[C@]1(C)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000186390273 1431398861 /nfs/dbraw/zinc/39/88/61/1431398861.db2.gz HMOLQWQEYVSETJ-FQEVSTJZSA-N 1 1 389.521 3.245 20 30 GGEDMO COC(=O)[C@]1(C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000186390273 1431398864 /nfs/dbraw/zinc/39/88/64/1431398864.db2.gz HMOLQWQEYVSETJ-FQEVSTJZSA-N 1 1 389.521 3.245 20 30 GGEDMO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000186390252 1431398883 /nfs/dbraw/zinc/39/88/83/1431398883.db2.gz HMOLQWQEYVSETJ-HXUWFJFHSA-N 1 1 389.521 3.245 20 30 GGEDMO COC(=O)[C@@]1(C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000186390252 1431398886 /nfs/dbraw/zinc/39/88/86/1431398886.db2.gz HMOLQWQEYVSETJ-HXUWFJFHSA-N 1 1 389.521 3.245 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186497395 1431437201 /nfs/dbraw/zinc/43/72/01/1431437201.db2.gz NFCSMNVOYSXDJN-UHFFFAOYSA-N 1 1 391.443 3.210 20 30 GGEDMO C=CCC[C@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000186498853 1431437873 /nfs/dbraw/zinc/43/78/73/1431437873.db2.gz LUHDXZWTKKFHEA-PKTZIBPZSA-N 1 1 378.516 3.272 20 30 GGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186670894 1431487326 /nfs/dbraw/zinc/48/73/26/1431487326.db2.gz XDGVNSRJNPVZSN-GHZBRMKWSA-N 1 1 381.520 3.437 20 30 GGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186670894 1431487329 /nfs/dbraw/zinc/48/73/29/1431487329.db2.gz XDGVNSRJNPVZSN-GHZBRMKWSA-N 1 1 381.520 3.437 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186673504 1431488613 /nfs/dbraw/zinc/48/86/13/1431488613.db2.gz YHZAHPOHHLFYSC-WZONZLPQSA-N 1 1 375.472 3.453 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186673504 1431488614 /nfs/dbraw/zinc/48/86/14/1431488614.db2.gz YHZAHPOHHLFYSC-WZONZLPQSA-N 1 1 375.472 3.453 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000186681078 1431491067 /nfs/dbraw/zinc/49/10/67/1431491067.db2.gz MRZGAZJFEKUCHW-RDTXWAMCSA-N 1 1 381.467 3.069 20 30 GGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCSC3(CCOCC3)C2)sc2c1CCC2 ZINC000186809640 1431523606 /nfs/dbraw/zinc/52/36/06/1431523606.db2.gz QGHZGYKBYDCOQP-UHFFFAOYSA-N 1 1 391.562 3.035 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186812023 1431523773 /nfs/dbraw/zinc/52/37/73/1431523773.db2.gz ZUULXKIVRPECGW-SFHVURJKSA-N 1 1 387.549 3.228 20 30 GGEDMO COc1ccc(-c2ccncc2)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000186878071 1431551397 /nfs/dbraw/zinc/55/13/97/1431551397.db2.gz FVUWFHQWYIOGJA-UHFFFAOYSA-N 1 1 385.471 3.346 20 30 GGEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@]3(C#N)CCc4ccccc4C3)CC2)cs1 ZINC000186886163 1431554873 /nfs/dbraw/zinc/55/48/73/1431554873.db2.gz NPYMDMOUWUHCIQ-JOCHJYFZSA-N 1 1 394.544 3.231 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCC(C)(CO)CC2)c1C#N ZINC000186973854 1431580492 /nfs/dbraw/zinc/58/04/92/1431580492.db2.gz IOVVIYDTORFKFW-UHFFFAOYSA-N 1 1 398.482 3.138 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000187121645 1431621904 /nfs/dbraw/zinc/62/19/04/1431621904.db2.gz DADHPKLUXZHLOY-UHFFFAOYSA-N 1 1 387.530 3.216 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC1(O)CCCCCC1 ZINC000187343754 1431703315 /nfs/dbraw/zinc/70/33/15/1431703315.db2.gz OJJUMFZQDIWZTC-QGZVFWFLSA-N 1 1 375.488 3.478 20 30 GGEDMO CC(=O)Nc1ccc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000187419059 1431724178 /nfs/dbraw/zinc/72/41/78/1431724178.db2.gz XHPQQRMPLAWQDH-UHFFFAOYSA-N 1 1 390.487 3.173 20 30 GGEDMO CC(=O)Nc1ccc(C)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000187419059 1431724183 /nfs/dbraw/zinc/72/41/83/1431724183.db2.gz XHPQQRMPLAWQDH-UHFFFAOYSA-N 1 1 390.487 3.173 20 30 GGEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCCCN1CCCCCC1=O)c1ccc(F)c(F)c1 ZINC000187761283 1431809437 /nfs/dbraw/zinc/80/94/37/1431809437.db2.gz RPLPJWPUCLCVEH-OAQYLSRUSA-N 1 1 393.478 3.081 20 30 GGEDMO C=C(C)[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccc(F)c(F)c1 ZINC000187770788 1431810349 /nfs/dbraw/zinc/81/03/49/1431810349.db2.gz ZSORJZOIAGOTKP-QGZVFWFLSA-N 1 1 379.432 3.259 20 30 GGEDMO C=C(C)[C@@H](NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000188301565 1431870900 /nfs/dbraw/zinc/87/09/00/1431870900.db2.gz AWUHNUJOBQNSPT-VQTJNVASSA-N 1 1 394.510 3.153 20 30 GGEDMO CC[C@H](NC(=O)c1cccc(F)c1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000188588325 1431897868 /nfs/dbraw/zinc/89/78/68/1431897868.db2.gz PLCHUTDYFKPLME-SFTDATJTSA-N 1 1 381.451 3.107 20 30 GGEDMO CC[C@H](NC(=O)c1cccc(F)c1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000188588325 1431897870 /nfs/dbraw/zinc/89/78/70/1431897870.db2.gz PLCHUTDYFKPLME-SFTDATJTSA-N 1 1 381.451 3.107 20 30 GGEDMO C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000188709934 1431941566 /nfs/dbraw/zinc/94/15/66/1431941566.db2.gz BRYYOMGNUTYPTQ-QGZVFWFLSA-N 1 1 393.491 3.332 20 30 GGEDMO C[N@@H+](CCNC(=O)Nc1ncccc1OCCCC#N)Cc1ccc(F)cc1 ZINC000188716423 1431943501 /nfs/dbraw/zinc/94/35/01/1431943501.db2.gz WXXQHFJCWSPTJZ-UHFFFAOYSA-N 1 1 385.443 3.157 20 30 GGEDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000188717970 1431945123 /nfs/dbraw/zinc/94/51/23/1431945123.db2.gz PADMFGPZFNQJTO-UHFFFAOYSA-N 1 1 393.491 3.422 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000188962121 1432017388 /nfs/dbraw/zinc/01/73/88/1432017388.db2.gz FLSBGYWOAHBIFL-UHFFFAOYSA-N 1 1 388.515 3.045 20 30 GGEDMO C[C@@H]1C[N@H+](CCCCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000189063303 1432038044 /nfs/dbraw/zinc/03/80/44/1432038044.db2.gz VXPFIHXUSXEKIS-IYBDPMFKSA-N 1 1 382.426 3.063 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000189341776 1432090050 /nfs/dbraw/zinc/09/00/50/1432090050.db2.gz FNLVEQYZYADWJK-OAHLLOKOSA-N 1 1 387.480 3.430 20 30 GGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000189341776 1432090058 /nfs/dbraw/zinc/09/00/58/1432090058.db2.gz FNLVEQYZYADWJK-OAHLLOKOSA-N 1 1 387.480 3.430 20 30 GGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000189365070 1432094037 /nfs/dbraw/zinc/09/40/37/1432094037.db2.gz YAEPKRVVCZTKKS-UHFFFAOYSA-N 1 1 379.460 3.111 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000189443237 1432113576 /nfs/dbraw/zinc/11/35/76/1432113576.db2.gz OFZATIZHHOFUDV-GOSISDBHSA-N 1 1 392.503 3.254 20 30 GGEDMO C#CCCOc1ccc(CNc2ccccc2C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000189444785 1432113889 /nfs/dbraw/zinc/11/38/89/1432113889.db2.gz HNOSSRCWPNMMKD-UHFFFAOYSA-N 1 1 391.515 3.365 20 30 GGEDMO N#Cc1ccccc1Sc1ccc(C(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000189460237 1432119428 /nfs/dbraw/zinc/11/94/28/1432119428.db2.gz VVXBGWCZUQRISI-UHFFFAOYSA-N 1 1 381.501 3.162 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2cccc(NCc3ccc(O[C@@H](C)C#N)cc3)c2)CC1 ZINC000189509614 1432141476 /nfs/dbraw/zinc/14/14/76/1432141476.db2.gz YHDNERRUVDNKTP-SFHVURJKSA-N 1 1 392.503 3.254 20 30 GGEDMO C#CCCOc1ccc(CNc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)cc1 ZINC000189513232 1432143253 /nfs/dbraw/zinc/14/32/53/1432143253.db2.gz SQELLOODPOHHHK-UHFFFAOYSA-N 1 1 391.515 3.365 20 30 GGEDMO C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000189684703 1432203623 /nfs/dbraw/zinc/20/36/23/1432203623.db2.gz RAIFIHYOMPYJGU-HNNXBMFYSA-N 1 1 399.878 3.143 20 30 GGEDMO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000189723734 1432215586 /nfs/dbraw/zinc/21/55/86/1432215586.db2.gz TWAYRJLFMKQLKW-KRWDZBQOSA-N 1 1 392.507 3.466 20 30 GGEDMO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000189723734 1432215592 /nfs/dbraw/zinc/21/55/92/1432215592.db2.gz TWAYRJLFMKQLKW-KRWDZBQOSA-N 1 1 392.507 3.466 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](CC(C)(C)O)C2CC2)c1C#N ZINC000189910432 1432271037 /nfs/dbraw/zinc/27/10/37/1432271037.db2.gz AZKRGUFATWRJAE-UHFFFAOYSA-N 1 1 398.482 3.279 20 30 GGEDMO CC(C)(O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000189930413 1432278040 /nfs/dbraw/zinc/27/80/40/1432278040.db2.gz MPUZRPVPIFYUJF-UHFFFAOYSA-N 1 1 375.538 3.453 20 30 GGEDMO CC(=O)Nc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000189975411 1432295627 /nfs/dbraw/zinc/29/56/27/1432295627.db2.gz OQYJVWZTMPXVFG-UHFFFAOYSA-N 1 1 390.487 3.173 20 30 GGEDMO CC(=O)Nc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000189975411 1432295635 /nfs/dbraw/zinc/29/56/35/1432295635.db2.gz OQYJVWZTMPXVFG-UHFFFAOYSA-N 1 1 390.487 3.173 20 30 GGEDMO C=CCc1cc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000190314491 1432359069 /nfs/dbraw/zinc/35/90/69/1432359069.db2.gz VPSCKPKVALJRKT-XMMPIXPASA-N 1 1 396.531 3.198 20 30 GGEDMO C=CCc1cc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000190314491 1432359074 /nfs/dbraw/zinc/35/90/74/1432359074.db2.gz VPSCKPKVALJRKT-XMMPIXPASA-N 1 1 396.531 3.198 20 30 GGEDMO C=CCc1cc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc(OC)c1O ZINC000190314491 1432359077 /nfs/dbraw/zinc/35/90/77/1432359077.db2.gz VPSCKPKVALJRKT-XMMPIXPASA-N 1 1 396.531 3.198 20 30 GGEDMO CN(Cc1cccc(OCCCC#N)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190318169 1432360145 /nfs/dbraw/zinc/36/01/45/1432360145.db2.gz JSCLPBRRNAPSKC-XMMPIXPASA-N 1 1 393.531 3.438 20 30 GGEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190318169 1432360151 /nfs/dbraw/zinc/36/01/51/1432360151.db2.gz JSCLPBRRNAPSKC-XMMPIXPASA-N 1 1 393.531 3.438 20 30 GGEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190318169 1432360156 /nfs/dbraw/zinc/36/01/56/1432360156.db2.gz JSCLPBRRNAPSKC-XMMPIXPASA-N 1 1 393.531 3.438 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3ccc(F)c(F)c3)CC2)cc1 ZINC000190326628 1432361933 /nfs/dbraw/zinc/36/19/33/1432361933.db2.gz CASFOLGNRPEIJF-UHFFFAOYSA-N 1 1 398.457 3.296 20 30 GGEDMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000190581510 1432412642 /nfs/dbraw/zinc/41/26/42/1432412642.db2.gz LPZRAUWOCUYCNY-SFHVURJKSA-N 1 1 380.517 3.291 20 30 GGEDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1nc2c(s1)CCCC2 ZINC000190614628 1432420780 /nfs/dbraw/zinc/42/07/80/1432420780.db2.gz RSYJOEJCOZOSBA-RDTXWAMCSA-N 1 1 380.517 3.345 20 30 GGEDMO C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000190661651 1432435191 /nfs/dbraw/zinc/43/51/91/1432435191.db2.gz XMIYEBVBEFLFMH-FQEVSTJZSA-N 1 1 377.460 3.027 20 30 GGEDMO N#CCc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000190844330 1432504849 /nfs/dbraw/zinc/50/48/49/1432504849.db2.gz BHWTXVIVXVTFPG-NRFANRHFSA-N 1 1 378.476 3.165 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000190973045 1432541267 /nfs/dbraw/zinc/54/12/67/1432541267.db2.gz QKXXXWFPKVBUOZ-HXUWFJFHSA-N 1 1 378.476 3.145 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1C#N ZINC000191195552 1432587703 /nfs/dbraw/zinc/58/77/03/1432587703.db2.gz WMNLBJSVMLCZPM-AWEZNQCLSA-N 1 1 388.397 3.338 20 30 GGEDMO Cn1cc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1C#N ZINC000191234461 1432599272 /nfs/dbraw/zinc/59/92/72/1432599272.db2.gz HFNPFQPQPDRCJX-OAQYLSRUSA-N 1 1 379.485 3.179 20 30 GGEDMO Cc1ccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000191234667 1432599288 /nfs/dbraw/zinc/59/92/88/1432599288.db2.gz BFTUEPMGRKZOBE-QFIPXVFZSA-N 1 1 393.512 3.488 20 30 GGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191303147 1432626130 /nfs/dbraw/zinc/62/61/30/1432626130.db2.gz DWOXGGVGDWCBDC-UHFFFAOYSA-N 1 1 381.427 3.449 20 30 GGEDMO N#Cc1ccc(OCC[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000191321100 1432631679 /nfs/dbraw/zinc/63/16/79/1432631679.db2.gz XXLHBEQXWINQRY-UHFFFAOYSA-N 1 1 397.426 3.020 20 30 GGEDMO N#CC1(NC(=O)C[N@H+](CCc2ccccc2)Cc2cccnc2)CCCCC1 ZINC000191345569 1432637954 /nfs/dbraw/zinc/63/79/54/1432637954.db2.gz MBMOYQZDNPLJJE-UHFFFAOYSA-N 1 1 376.504 3.469 20 30 GGEDMO N#CC1(NC(=O)C[N@@H+](CCc2ccccc2)Cc2cccnc2)CCCCC1 ZINC000191345569 1432637961 /nfs/dbraw/zinc/63/79/61/1432637961.db2.gz MBMOYQZDNPLJJE-UHFFFAOYSA-N 1 1 376.504 3.469 20 30 GGEDMO CCNC(=O)N1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000191401095 1432654080 /nfs/dbraw/zinc/65/40/80/1432654080.db2.gz VULDATREWJCVTO-UHFFFAOYSA-N 1 1 376.504 3.233 20 30 GGEDMO CCCn1ccnc1CCC[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191512854 1432676493 /nfs/dbraw/zinc/67/64/93/1432676493.db2.gz NTBGNCCLXUOILQ-HXUWFJFHSA-N 1 1 379.508 3.225 20 30 GGEDMO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000191738991 1432715475 /nfs/dbraw/zinc/71/54/75/1432715475.db2.gz TYHGNWHDOCARGI-HXUWFJFHSA-N 1 1 392.532 3.487 20 30 GGEDMO Cn1cc([C@H]2CSCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000191738991 1432715478 /nfs/dbraw/zinc/71/54/78/1432715478.db2.gz TYHGNWHDOCARGI-HXUWFJFHSA-N 1 1 392.532 3.487 20 30 GGEDMO CC(C)[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000191969556 1432770782 /nfs/dbraw/zinc/77/07/82/1432770782.db2.gz DSEWGTGMAJBDMX-UHFFFAOYSA-N 1 1 385.533 3.230 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccncc3C(F)(F)F)CC2)cc1 ZINC000192138545 1432805011 /nfs/dbraw/zinc/80/50/11/1432805011.db2.gz JSSRJGKUWRSQST-UHFFFAOYSA-N 1 1 388.393 3.320 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccncc3C(F)(F)F)CC2)cc1 ZINC000192138545 1432805013 /nfs/dbraw/zinc/80/50/13/1432805013.db2.gz JSSRJGKUWRSQST-UHFFFAOYSA-N 1 1 388.393 3.320 20 30 GGEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(CSC(F)F)o3)C2=O)cc1 ZINC000192242455 1432821565 /nfs/dbraw/zinc/82/15/65/1432821565.db2.gz XAGULMVBBOGKKC-QGZVFWFLSA-N 1 1 391.443 3.498 20 30 GGEDMO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1OC ZINC000192243853 1432821905 /nfs/dbraw/zinc/82/19/05/1432821905.db2.gz MSSMEKAAAXJOLS-QGZVFWFLSA-N 1 1 399.878 3.120 20 30 GGEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192342188 1432833804 /nfs/dbraw/zinc/83/38/04/1432833804.db2.gz OASIPUCSDVYLAV-UHFFFAOYSA-N 1 1 398.507 3.349 20 30 GGEDMO COC(=O)[C@H](C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCC1 ZINC000192379296 1432839457 /nfs/dbraw/zinc/83/94/57/1432839457.db2.gz SPXCXMPDAXREOI-ZDUSSCGKSA-N 1 1 389.521 3.243 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+](CCO)[C@H]3CCc4ccccc43)C2=O)cc1 ZINC000192613947 1432866304 /nfs/dbraw/zinc/86/63/04/1432866304.db2.gz YASMULHVDKTQMR-FCHUYYIVSA-N 1 1 375.472 3.035 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)C2=O)cc1 ZINC000192621585 1432867352 /nfs/dbraw/zinc/86/73/52/1432867352.db2.gz SAOTVLPCRFALKP-ZCNNSNEGSA-N 1 1 379.460 3.235 20 30 GGEDMO C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)Cc1ccccc1 ZINC000192851311 1432899024 /nfs/dbraw/zinc/89/90/24/1432899024.db2.gz UBWMRUSXIHVDBQ-UHFFFAOYSA-N 1 1 392.503 3.065 20 30 GGEDMO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192980350 1432916303 /nfs/dbraw/zinc/91/63/03/1432916303.db2.gz UXMNUDWYAKPMAP-QGZVFWFLSA-N 1 1 389.908 3.012 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@H+](C[C@@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193146442 1432944711 /nfs/dbraw/zinc/94/47/11/1432944711.db2.gz HCNHWYDFLKZQTQ-HXUWFJFHSA-N 1 1 399.922 3.159 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C[C@@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193146442 1432944716 /nfs/dbraw/zinc/94/47/16/1432944716.db2.gz HCNHWYDFLKZQTQ-HXUWFJFHSA-N 1 1 399.922 3.159 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C[C@@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193146442 1432944721 /nfs/dbraw/zinc/94/47/21/1432944721.db2.gz HCNHWYDFLKZQTQ-HXUWFJFHSA-N 1 1 399.922 3.159 20 30 GGEDMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000193280350 1432973447 /nfs/dbraw/zinc/97/34/47/1432973447.db2.gz AHRIGUZCBGVMFQ-IBGZPJMESA-N 1 1 389.421 3.349 20 30 GGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000193280350 1432973450 /nfs/dbraw/zinc/97/34/50/1432973450.db2.gz AHRIGUZCBGVMFQ-IBGZPJMESA-N 1 1 389.421 3.349 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2nnc3ccccn32)cc1 ZINC000193327709 1432980128 /nfs/dbraw/zinc/98/01/28/1432980128.db2.gz KPERUIVXLQPOMF-DLBZAZTESA-N 1 1 376.464 3.024 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2nnc3ccccn32)c1 ZINC000193327674 1432980159 /nfs/dbraw/zinc/98/01/59/1432980159.db2.gz ZLPHNVMFPUTUTH-ROUUACIJSA-N 1 1 390.491 3.332 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000193681621 1433039827 /nfs/dbraw/zinc/03/98/27/1433039827.db2.gz LKJSCHXGMRHUCW-HXUWFJFHSA-N 1 1 378.476 3.145 20 30 GGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193745713 1433051238 /nfs/dbraw/zinc/05/12/38/1433051238.db2.gz ICVXMTOKJGAOOH-MRXNPFEDSA-N 1 1 384.524 3.053 20 30 GGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193793836 1433060761 /nfs/dbraw/zinc/06/07/61/1433060761.db2.gz LYBAWLYTQMHLRF-FQEVSTJZSA-N 1 1 377.488 3.354 20 30 GGEDMO CC(C)(C)[NH+]1CCC(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000193846810 1433072194 /nfs/dbraw/zinc/07/21/94/1433072194.db2.gz VSMFYUBBCLDZAC-UHFFFAOYSA-N 1 1 397.567 3.038 20 30 GGEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193853166 1433073286 /nfs/dbraw/zinc/07/32/86/1433073286.db2.gz GPJGNJLCRBCQBJ-UHFFFAOYSA-N 1 1 390.466 3.217 20 30 GGEDMO C=CCNC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000194324912 1433161735 /nfs/dbraw/zinc/16/17/35/1433161735.db2.gz YRRYSBMWZZLBCB-UHFFFAOYSA-N 1 1 378.476 3.161 20 30 GGEDMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000194349149 1433165078 /nfs/dbraw/zinc/16/50/78/1433165078.db2.gz FGEMYIVRGQKTSQ-HXUWFJFHSA-N 1 1 391.475 3.416 20 30 GGEDMO N#Cc1ccc(F)c(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000194443031 1433178932 /nfs/dbraw/zinc/17/89/32/1433178932.db2.gz PUFGXYAVMVKLJG-UHFFFAOYSA-N 1 1 381.407 3.277 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C2CC2)cc1 ZINC000194538756 1433194153 /nfs/dbraw/zinc/19/41/53/1433194153.db2.gz BCQNNQMOSWKWSV-UHFFFAOYSA-N 1 1 391.500 3.468 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C2CC2)cc1 ZINC000194538756 1433194156 /nfs/dbraw/zinc/19/41/56/1433194156.db2.gz BCQNNQMOSWKWSV-UHFFFAOYSA-N 1 1 391.500 3.468 20 30 GGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000194853649 1433248891 /nfs/dbraw/zinc/24/88/91/1433248891.db2.gz AMINCHRBJIIZQV-PGRDOPGGSA-N 1 1 385.508 3.233 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C2CC2)cc1 ZINC000194958504 1433272594 /nfs/dbraw/zinc/27/25/94/1433272594.db2.gz XMJSPEQCGGHTLK-JOCHJYFZSA-N 1 1 393.462 3.262 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C2CC2)cc1 ZINC000194958504 1433272597 /nfs/dbraw/zinc/27/25/97/1433272597.db2.gz XMJSPEQCGGHTLK-JOCHJYFZSA-N 1 1 393.462 3.262 20 30 GGEDMO COC(=O)Nc1ccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194958609 1433272662 /nfs/dbraw/zinc/27/26/62/1433272662.db2.gz UPPYNBMXWDNDEW-UHFFFAOYSA-N 1 1 392.459 3.017 20 30 GGEDMO COC(=O)Nc1ccc(CNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194958609 1433272667 /nfs/dbraw/zinc/27/26/67/1433272667.db2.gz UPPYNBMXWDNDEW-UHFFFAOYSA-N 1 1 392.459 3.017 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C2CC2)cc1 ZINC000194960897 1433272885 /nfs/dbraw/zinc/27/28/85/1433272885.db2.gz OTWYUWKQDGADPY-UHFFFAOYSA-N 1 1 399.498 3.067 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C2CC2)cc1 ZINC000194960897 1433272888 /nfs/dbraw/zinc/27/28/88/1433272888.db2.gz OTWYUWKQDGADPY-UHFFFAOYSA-N 1 1 399.498 3.067 20 30 GGEDMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194963841 1433273396 /nfs/dbraw/zinc/27/33/96/1433273396.db2.gz HEHCACMSTYWCIW-INIZCTEOSA-N 1 1 393.487 3.417 20 30 GGEDMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194963841 1433273401 /nfs/dbraw/zinc/27/34/01/1433273401.db2.gz HEHCACMSTYWCIW-INIZCTEOSA-N 1 1 393.487 3.417 20 30 GGEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000195141945 1433298613 /nfs/dbraw/zinc/29/86/13/1433298613.db2.gz YENMWKLDEJWVJK-UHFFFAOYSA-N 1 1 379.489 3.214 20 30 GGEDMO C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000195604855 1433341117 /nfs/dbraw/zinc/34/11/17/1433341117.db2.gz MSAGXZHRPOXGEN-HZPDHXFCSA-N 1 1 381.442 3.477 20 30 GGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000195636005 1433342818 /nfs/dbraw/zinc/34/28/18/1433342818.db2.gz QMLATNNJCBGEHK-HZPDHXFCSA-N 1 1 381.442 3.477 20 30 GGEDMO CN1CC[N@@H+](CCCNC(=O)Nc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000195662850 1433344042 /nfs/dbraw/zinc/34/40/42/1433344042.db2.gz HYSKFCOYMGECQS-OAQYLSRUSA-N 1 1 395.482 3.198 20 30 GGEDMO C[N@@H+]1CCN(CCCNC(=O)Nc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000195662850 1433344044 /nfs/dbraw/zinc/34/40/44/1433344044.db2.gz HYSKFCOYMGECQS-OAQYLSRUSA-N 1 1 395.482 3.198 20 30 GGEDMO C[N@H+]1CCN(CCCNC(=O)Nc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000195662850 1433344046 /nfs/dbraw/zinc/34/40/46/1433344046.db2.gz HYSKFCOYMGECQS-OAQYLSRUSA-N 1 1 395.482 3.198 20 30 GGEDMO CC[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1c(F)cccc1F ZINC000198382225 1433349575 /nfs/dbraw/zinc/34/95/75/1433349575.db2.gz VUWZTVXAWFTXSH-UHFFFAOYSA-N 1 1 386.402 3.126 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1c(F)cccc1F ZINC000198382225 1433349578 /nfs/dbraw/zinc/34/95/78/1433349578.db2.gz VUWZTVXAWFTXSH-UHFFFAOYSA-N 1 1 386.402 3.126 20 30 GGEDMO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[NH+]2CCC3(CCCCC3)CC2)C1=O ZINC000216630854 1433364029 /nfs/dbraw/zinc/36/40/29/1433364029.db2.gz FQKSCOLGFQBNAT-OAQYLSRUSA-N 1 1 380.492 3.329 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000237486737 1433405894 /nfs/dbraw/zinc/40/58/94/1433405894.db2.gz SKZTYRKPXXBWLZ-NRFANRHFSA-N 1 1 392.547 3.275 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[NH2+]CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000237593136 1433411283 /nfs/dbraw/zinc/41/12/83/1433411283.db2.gz SKZTYRKPXXBWLZ-OAQYLSRUSA-N 1 1 392.547 3.275 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245386812 1433456977 /nfs/dbraw/zinc/45/69/77/1433456977.db2.gz QUSQQZOYVLDRAL-NVXWUHKLSA-N 1 1 399.470 3.063 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000245386812 1433456980 /nfs/dbraw/zinc/45/69/80/1433456980.db2.gz QUSQQZOYVLDRAL-NVXWUHKLSA-N 1 1 399.470 3.063 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)CN2CC[N@@H+](C)CC23CCCCC3)c(OC)c1 ZINC000245433222 1433466448 /nfs/dbraw/zinc/46/64/48/1433466448.db2.gz PCGLOEPFSVFWHZ-HXUWFJFHSA-N 1 1 388.552 3.114 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN(C)CC23CCCCC3)c(OC)c1 ZINC000245433222 1433466449 /nfs/dbraw/zinc/46/64/49/1433466449.db2.gz PCGLOEPFSVFWHZ-HXUWFJFHSA-N 1 1 388.552 3.114 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCN(C)CC23CCCCC3)c(OC)c1 ZINC000245433222 1433466450 /nfs/dbraw/zinc/46/64/50/1433466450.db2.gz PCGLOEPFSVFWHZ-HXUWFJFHSA-N 1 1 388.552 3.114 20 30 GGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](COCc4ccccc4)C3)C2=O)cc1 ZINC000245463502 1433473421 /nfs/dbraw/zinc/47/34/21/1433473421.db2.gz XLUMRPSGLUSIHX-IRLDBZIGSA-N 1 1 375.472 3.202 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000245533297 1433481829 /nfs/dbraw/zinc/48/18/29/1433481829.db2.gz DLBVKEOQSSCOSS-VQIMIIECSA-N 1 1 377.916 3.378 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)ccc1Cl ZINC000245533292 1433481909 /nfs/dbraw/zinc/48/19/09/1433481909.db2.gz DLBVKEOQSSCOSS-QFBILLFUSA-N 1 1 377.916 3.378 20 30 GGEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245533830 1433482022 /nfs/dbraw/zinc/48/20/22/1433482022.db2.gz VMYKELQVRKTRBB-QUCCMNQESA-N 1 1 392.507 3.106 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000245556127 1433484791 /nfs/dbraw/zinc/48/47/91/1433484791.db2.gz UEVLCDIJQXZIIB-NUJGCVRESA-N 1 1 375.538 3.360 20 30 GGEDMO C#Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000245586071 1433488069 /nfs/dbraw/zinc/48/80/69/1433488069.db2.gz MHWZNLFMUCIWSS-FGZHOGPDSA-N 1 1 382.552 3.469 20 30 GGEDMO C#CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000245696014 1433501780 /nfs/dbraw/zinc/50/17/80/1433501780.db2.gz KNXCLDPJJATGNN-XZOQPEGZSA-N 1 1 397.563 3.108 20 30 GGEDMO C[N@H+]1CC[C@@H](CNC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245698617 1433502236 /nfs/dbraw/zinc/50/22/36/1433502236.db2.gz MZPOSDFTDKSBSH-MAUKXSAKSA-N 1 1 378.879 3.417 20 30 GGEDMO CN(C(=O)c1cccc(CC#N)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245721713 1433505942 /nfs/dbraw/zinc/50/59/42/1433505942.db2.gz PTVUYSKTPHNFOS-FGZHOGPDSA-N 1 1 382.552 3.162 20 30 GGEDMO CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245737962 1433508931 /nfs/dbraw/zinc/50/89/31/1433508931.db2.gz UEZRLEAXMMPAOW-GOHHFNLLSA-N 1 1 394.563 3.367 20 30 GGEDMO C#CCSCCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245752930 1433511879 /nfs/dbraw/zinc/51/18/79/1433511879.db2.gz XZTFADDUADNSBR-RHSMWYFYSA-N 1 1 383.920 3.138 20 30 GGEDMO CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245757267 1433512386 /nfs/dbraw/zinc/51/23/86/1433512386.db2.gz YUXWTJFUDKHWCZ-DHIUTWEWSA-N 1 1 396.579 3.286 20 30 GGEDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000245793032 1433518914 /nfs/dbraw/zinc/51/89/14/1433518914.db2.gz OCMXJLUOMJORBP-ZBFHGGJFSA-N 1 1 383.448 3.257 20 30 GGEDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000245793032 1433518917 /nfs/dbraw/zinc/51/89/17/1433518917.db2.gz OCMXJLUOMJORBP-ZBFHGGJFSA-N 1 1 383.448 3.257 20 30 GGEDMO C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCc2ccccc21 ZINC000245838065 1433524069 /nfs/dbraw/zinc/52/40/69/1433524069.db2.gz BQLKKKBXNWTLRG-PMACEKPBSA-N 1 1 394.544 3.076 20 30 GGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245868094 1433530609 /nfs/dbraw/zinc/53/06/09/1433530609.db2.gz KJUBUPMSKPTXJG-FCGDIQPGSA-N 1 1 386.565 3.110 20 30 GGEDMO C[C@H]([NH2+][C@H](C[S@@](C)=O)c1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000245876858 1433531500 /nfs/dbraw/zinc/53/15/00/1433531500.db2.gz MOJHJFIEKZULSN-SHYLCKNMSA-N 1 1 389.908 3.248 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245885995 1433534111 /nfs/dbraw/zinc/53/41/11/1433534111.db2.gz NVYPYWRRKCKPBV-ROUUACIJSA-N 1 1 386.565 3.339 20 30 GGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245986469 1433553415 /nfs/dbraw/zinc/55/34/15/1433553415.db2.gz WGEDSWOQCHETSK-CABCVRRESA-N 1 1 397.548 3.124 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000246018710 1433558594 /nfs/dbraw/zinc/55/85/94/1433558594.db2.gz URNQQBHRMNXPLF-KKSFZXQISA-N 1 1 378.476 3.039 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000246101176 1433568958 /nfs/dbraw/zinc/56/89/58/1433568958.db2.gz MGQDKDHPJJTNSN-HZPDHXFCSA-N 1 1 395.956 3.487 20 30 GGEDMO COc1ccc(C[NH2+]CCCN2CCN(C)C[C@@H]2c2ccccc2)cc1C#N ZINC000246163122 1433576670 /nfs/dbraw/zinc/57/66/70/1433576670.db2.gz MAVDDTZFWOLTBI-JOCHJYFZSA-N 1 1 378.520 3.035 20 30 GGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000246170757 1433577467 /nfs/dbraw/zinc/57/74/67/1433577467.db2.gz RYKYICCJIPFUHI-CGYQNGNCSA-N 1 1 388.471 3.161 20 30 GGEDMO N#Cc1ccc(N2CC[C@H](N3CCC[N@H+](Cc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000246249143 1433586254 /nfs/dbraw/zinc/58/62/54/1433586254.db2.gz YYPKGYBLFJFMSR-QFIPXVFZSA-N 1 1 392.478 3.011 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2CN2CCCCC2)c(OC)c1 ZINC000246251821 1433586548 /nfs/dbraw/zinc/58/65/48/1433586548.db2.gz ZVNQJEFNTXAPIJ-LEWJYISDSA-N 1 1 388.552 3.114 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2CN2CCCCC2)c(OC)c1 ZINC000246251821 1433586550 /nfs/dbraw/zinc/58/65/50/1433586550.db2.gz ZVNQJEFNTXAPIJ-LEWJYISDSA-N 1 1 388.552 3.114 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246273311 1433588402 /nfs/dbraw/zinc/58/84/02/1433588402.db2.gz BEDNMAXGFCJXTC-NQIIRXRSSA-N 1 1 399.583 3.459 20 30 GGEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246409755 1433608818 /nfs/dbraw/zinc/60/88/18/1433608818.db2.gz QELLNJGUICPNHU-HZPDHXFCSA-N 1 1 388.537 3.010 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)C1=O ZINC000246426417 1433611165 /nfs/dbraw/zinc/61/11/65/1433611165.db2.gz CJUIJGWHYGGGRG-QYZOEREBSA-N 1 1 399.491 3.452 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)C1=O ZINC000246426417 1433611168 /nfs/dbraw/zinc/61/11/68/1433611168.db2.gz CJUIJGWHYGGGRG-QYZOEREBSA-N 1 1 399.491 3.452 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246429737 1433611869 /nfs/dbraw/zinc/61/18/69/1433611869.db2.gz CNKLEJUEPIWHDH-UXPWSPDFSA-N 1 1 387.499 3.445 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000246456992 1433615640 /nfs/dbraw/zinc/61/56/40/1433615640.db2.gz FOZSOLBBCSUBRE-IXDOHACOSA-N 1 1 384.524 3.229 20 30 GGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000246459297 1433615673 /nfs/dbraw/zinc/61/56/73/1433615673.db2.gz WLEMNPWPNUFTNB-DNVCBOLYSA-N 1 1 387.480 3.201 20 30 GGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000246459297 1433615675 /nfs/dbraw/zinc/61/56/75/1433615675.db2.gz WLEMNPWPNUFTNB-DNVCBOLYSA-N 1 1 387.480 3.201 20 30 GGEDMO N#Cc1ccc(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000246481121 1433619309 /nfs/dbraw/zinc/61/93/09/1433619309.db2.gz GNXYBSOSMKGUMJ-JXFKEZNVSA-N 1 1 386.927 3.489 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC000246481121 1433619314 /nfs/dbraw/zinc/61/93/14/1433619314.db2.gz GNXYBSOSMKGUMJ-JXFKEZNVSA-N 1 1 386.927 3.489 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1Cl ZINC000246481121 1433619315 /nfs/dbraw/zinc/61/93/15/1433619315.db2.gz GNXYBSOSMKGUMJ-JXFKEZNVSA-N 1 1 386.927 3.489 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1C#N ZINC000246489089 1433620143 /nfs/dbraw/zinc/62/01/43/1433620143.db2.gz AORZUGPEZNEQCS-LIRRHRJNSA-N 1 1 398.482 3.279 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246493254 1433620559 /nfs/dbraw/zinc/62/05/59/1433620559.db2.gz PMDKGZIWGQBFLR-LZLYRXPVSA-N 1 1 388.537 3.265 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246519311 1433624642 /nfs/dbraw/zinc/62/46/42/1433624642.db2.gz RDERIBFLNDSHQB-RYRKJORJSA-N 1 1 388.537 3.123 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246563691 1433631979 /nfs/dbraw/zinc/63/19/79/1433631979.db2.gz LAUITVKRPLQGNM-PTSWNOGYSA-N 1 1 386.927 3.487 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCC[C@H]1O ZINC000246575190 1433633552 /nfs/dbraw/zinc/63/35/52/1433633552.db2.gz LZFXDNMXSHVKFJ-WMLDXEAASA-N 1 1 375.538 3.310 20 30 GGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000246590072 1433635584 /nfs/dbraw/zinc/63/55/84/1433635584.db2.gz CPRRRQUYHYNSPG-FUHWJXTLSA-N 1 1 379.426 3.183 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000246722664 1433655362 /nfs/dbraw/zinc/65/53/62/1433655362.db2.gz MACITSQIJUTDNO-IRXDYDNUSA-N 1 1 390.553 3.439 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246743105 1433658687 /nfs/dbraw/zinc/65/86/87/1433658687.db2.gz PPJWQPCAJXADMK-DLBZAZTESA-N 1 1 398.536 3.023 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246743105 1433658688 /nfs/dbraw/zinc/65/86/88/1433658688.db2.gz PPJWQPCAJXADMK-DLBZAZTESA-N 1 1 398.536 3.023 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246809861 1433671506 /nfs/dbraw/zinc/67/15/06/1433671506.db2.gz NGPCEXLWMDIEHX-TUNNFDKTSA-N 1 1 384.451 3.025 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000246809903 1433671761 /nfs/dbraw/zinc/67/17/61/1433671761.db2.gz NGPCEXLWMDIEHX-VWPQPMDRSA-N 1 1 384.451 3.025 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246830898 1433675470 /nfs/dbraw/zinc/67/54/70/1433675470.db2.gz UUHDPVRCUATQGK-UEXGIBASSA-N 1 1 389.442 3.241 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246830898 1433675474 /nfs/dbraw/zinc/67/54/74/1433675474.db2.gz UUHDPVRCUATQGK-UEXGIBASSA-N 1 1 389.442 3.241 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1C#N ZINC000246850257 1433678100 /nfs/dbraw/zinc/67/81/00/1433678100.db2.gz TZLONOHLFZDXRX-RXVVDRJESA-N 1 1 392.503 3.405 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1C#N ZINC000246850257 1433678103 /nfs/dbraw/zinc/67/81/03/1433678103.db2.gz TZLONOHLFZDXRX-RXVVDRJESA-N 1 1 392.503 3.405 20 30 GGEDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@H]1C ZINC000246898513 1433684573 /nfs/dbraw/zinc/68/45/73/1433684573.db2.gz FMZOCJCWVVPOAV-FGTMMUONSA-N 1 1 398.551 3.476 20 30 GGEDMO Cc1cccc([C@@H](O)C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccccc2)c1 ZINC000247273088 1433699073 /nfs/dbraw/zinc/69/90/73/1433699073.db2.gz SIVVJWXADMSPQW-LADGPHEKSA-N 1 1 391.515 3.339 20 30 GGEDMO Cc1cccc([C@@H](O)C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccccc2)c1 ZINC000247273088 1433699077 /nfs/dbraw/zinc/69/90/77/1433699077.db2.gz SIVVJWXADMSPQW-LADGPHEKSA-N 1 1 391.515 3.339 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)C1 ZINC000247286118 1433700668 /nfs/dbraw/zinc/70/06/68/1433700668.db2.gz SSQGDOYMLSVZSA-FUHWJXTLSA-N 1 1 389.544 3.373 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H](C)C1 ZINC000247299289 1433701871 /nfs/dbraw/zinc/70/18/71/1433701871.db2.gz UVKGWELAFUFYRL-AVRDEDQJSA-N 1 1 398.551 3.369 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)ccc1Cl ZINC000247302723 1433702013 /nfs/dbraw/zinc/70/20/13/1433702013.db2.gz UVOAJMGMCPDFHO-QZTJIDSGSA-N 1 1 393.940 3.101 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)ccc1Cl ZINC000247302723 1433702019 /nfs/dbraw/zinc/70/20/19/1433702019.db2.gz UVOAJMGMCPDFHO-QZTJIDSGSA-N 1 1 393.940 3.101 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000247326480 1433706961 /nfs/dbraw/zinc/70/69/61/1433706961.db2.gz YACGLFXLCWHFBH-GGAORHGYSA-N 1 1 380.488 3.022 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccccc1OCC#N ZINC000247344880 1433709989 /nfs/dbraw/zinc/70/99/89/1433709989.db2.gz JQMQEGPFQVMHMI-OEWRPIJISA-N 1 1 377.488 3.475 20 30 GGEDMO C=CCOc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000247512921 1433731569 /nfs/dbraw/zinc/73/15/69/1433731569.db2.gz NHJMEQVVWLLACZ-SIKLNZKXSA-N 1 1 395.503 3.256 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1Cl ZINC000247657372 1433744090 /nfs/dbraw/zinc/74/40/90/1433744090.db2.gz XJIRKWDROKNYMJ-XLIONFOSSA-N 1 1 398.894 3.216 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000247662605 1433744780 /nfs/dbraw/zinc/74/47/80/1433744780.db2.gz UFJUWKGHMDSLOW-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000247662605 1433744785 /nfs/dbraw/zinc/74/47/85/1433744785.db2.gz UFJUWKGHMDSLOW-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000247683575 1433745879 /nfs/dbraw/zinc/74/58/79/1433745879.db2.gz RXPCTLZJGITZFL-SBHAEUEKSA-N 1 1 384.476 3.259 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COc1ccccc1C#N ZINC000247674649 1433745961 /nfs/dbraw/zinc/74/59/61/1433745961.db2.gz YYTUHWJYMQGTSS-CYGODWOOSA-N 1 1 377.488 3.210 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000247683571 1433746054 /nfs/dbraw/zinc/74/60/54/1433746054.db2.gz RXPCTLZJGITZFL-QKNQBKEWSA-N 1 1 384.476 3.259 20 30 GGEDMO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000248046658 1433766006 /nfs/dbraw/zinc/76/60/06/1433766006.db2.gz MPKSLWWXFPYEKH-LJQANCHMSA-N 1 1 382.552 3.246 20 30 GGEDMO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000248046658 1433766010 /nfs/dbraw/zinc/76/60/10/1433766010.db2.gz MPKSLWWXFPYEKH-LJQANCHMSA-N 1 1 382.552 3.246 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Cl ZINC000248121930 1433770879 /nfs/dbraw/zinc/77/08/79/1433770879.db2.gz NMMTYHNFCBIKBK-PXNSSMCTSA-N 1 1 388.943 3.311 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248124436 1433771590 /nfs/dbraw/zinc/77/15/90/1433771590.db2.gz NTSMAQXLNQDUNN-GIWBLDEGSA-N 1 1 382.552 3.027 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1sccc1C#N ZINC000248393099 1433794707 /nfs/dbraw/zinc/79/47/07/1433794707.db2.gz GFCCISTXLAOYBA-IGOJGBNBSA-N 1 1 382.533 3.304 20 30 GGEDMO COC(=O)[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000248426291 1433801798 /nfs/dbraw/zinc/80/17/98/1433801798.db2.gz MPGDAMFEXGIOAR-FGZHOGPDSA-N 1 1 377.488 3.273 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2O[C@H](C)C#N)[C@H](C)C1 ZINC000248521401 1433806676 /nfs/dbraw/zinc/80/66/76/1433806676.db2.gz BMELENCQHIHDSY-KURKYZTESA-N 1 1 388.512 3.236 20 30 GGEDMO C[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248556059 1433808114 /nfs/dbraw/zinc/80/81/14/1433808114.db2.gz KREBYGXKEHKJRY-QZTJIDSGSA-N 1 1 398.551 3.478 20 30 GGEDMO C[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248556061 1433808123 /nfs/dbraw/zinc/80/81/23/1433808123.db2.gz KREBYGXKEHKJRY-ZWKOTPCHSA-N 1 1 398.551 3.478 20 30 GGEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248743335 1433819341 /nfs/dbraw/zinc/81/93/41/1433819341.db2.gz MSNRSZFXLXZPIA-LOWSOADQSA-N 1 1 395.528 3.484 20 30 GGEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248743335 1433819343 /nfs/dbraw/zinc/81/93/43/1433819343.db2.gz MSNRSZFXLXZPIA-LOWSOADQSA-N 1 1 395.528 3.484 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248777667 1433821981 /nfs/dbraw/zinc/82/19/81/1433821981.db2.gz USBLUWLMUOYSHL-DSKINZAPSA-N 1 1 396.535 3.070 20 30 GGEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248777678 1433822052 /nfs/dbraw/zinc/82/20/52/1433822052.db2.gz USBLUWLMUOYSHL-QFUCXCTJSA-N 1 1 396.535 3.070 20 30 GGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248784319 1433822463 /nfs/dbraw/zinc/82/24/63/1433822463.db2.gz XDGVNSRJNPVZSN-DDDLWCFWSA-N 1 1 381.520 3.437 20 30 GGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248784319 1433822464 /nfs/dbraw/zinc/82/24/64/1433822464.db2.gz XDGVNSRJNPVZSN-DDDLWCFWSA-N 1 1 381.520 3.437 20 30 GGEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+](CCO)[C@H]3CCc4ccccc43)C2=O)cc1 ZINC000248792852 1433822866 /nfs/dbraw/zinc/82/28/66/1433822866.db2.gz YASMULHVDKTQMR-VXKWHMMOSA-N 1 1 375.472 3.035 20 30 GGEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+](CCO)[C@@H]3CCc4ccccc43)C2=O)cc1 ZINC000248792855 1433822894 /nfs/dbraw/zinc/82/28/94/1433822894.db2.gz YASMULHVDKTQMR-YADHBBJMSA-N 1 1 375.472 3.035 20 30 GGEDMO CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248893811 1433828277 /nfs/dbraw/zinc/82/82/77/1433828277.db2.gz GVAHCQGLYMSXPL-ZWKOTPCHSA-N 1 1 398.551 3.478 20 30 GGEDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248893811 1433828278 /nfs/dbraw/zinc/82/82/78/1433828278.db2.gz GVAHCQGLYMSXPL-ZWKOTPCHSA-N 1 1 398.551 3.478 20 30 GGEDMO CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248893805 1433828285 /nfs/dbraw/zinc/82/82/85/1433828285.db2.gz GVAHCQGLYMSXPL-QZTJIDSGSA-N 1 1 398.551 3.478 20 30 GGEDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000248893805 1433828287 /nfs/dbraw/zinc/82/82/87/1433828287.db2.gz GVAHCQGLYMSXPL-QZTJIDSGSA-N 1 1 398.551 3.478 20 30 GGEDMO N#Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1O ZINC000249038414 1433832880 /nfs/dbraw/zinc/83/28/80/1433832880.db2.gz COOVIRNYQCCLCQ-NHCUHLMSSA-N 1 1 375.472 3.391 20 30 GGEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000249090578 1433834848 /nfs/dbraw/zinc/83/48/48/1433834848.db2.gz KGDUPASNWPCENX-IRXDYDNUSA-N 1 1 395.528 3.237 20 30 GGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000249090578 1433834849 /nfs/dbraw/zinc/83/48/49/1433834849.db2.gz KGDUPASNWPCENX-IRXDYDNUSA-N 1 1 395.528 3.237 20 30 GGEDMO C=C[C@@H](CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000249517728 1433845924 /nfs/dbraw/zinc/84/59/24/1433845924.db2.gz SLWPBHNHKDHAHX-URXFXBBRSA-N 1 1 378.516 3.442 20 30 GGEDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000249840502 1433852988 /nfs/dbraw/zinc/85/29/88/1433852988.db2.gz WGBMLTAYLGADKQ-ZWKOTPCHSA-N 1 1 398.551 3.478 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3nccs3)C2)c(OC)c1 ZINC000249870257 1433853390 /nfs/dbraw/zinc/85/33/90/1433853390.db2.gz JPCIGHQYFJXYEI-MSOLQXFVSA-N 1 1 388.533 3.500 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000250198935 1433855005 /nfs/dbraw/zinc/85/50/05/1433855005.db2.gz AXEGAKAGDSMTKQ-OTWHNJEPSA-N 1 1 386.540 3.083 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000253273897 1433865398 /nfs/dbraw/zinc/86/53/98/1433865398.db2.gz FCNQBKRMCOFQNV-LPHOPBHVSA-N 1 1 396.453 3.310 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000253273898 1433865467 /nfs/dbraw/zinc/86/54/67/1433865467.db2.gz FCNQBKRMCOFQNV-QFBILLFUSA-N 1 1 396.453 3.310 20 30 GGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)/C=C\c3ccccc3C#N)CC2)cc1 ZINC000255551986 1433884883 /nfs/dbraw/zinc/88/48/83/1433884883.db2.gz CBYRNKMJFAGPBW-XFXZXTDPSA-N 1 1 375.472 3.315 20 30 GGEDMO CC[N@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000255953637 1433892562 /nfs/dbraw/zinc/89/25/62/1433892562.db2.gz IUQSYUMCWPJMCT-UYAOXDASSA-N 1 1 393.487 3.484 20 30 GGEDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000255953637 1433892564 /nfs/dbraw/zinc/89/25/64/1433892564.db2.gz IUQSYUMCWPJMCT-UYAOXDASSA-N 1 1 393.487 3.484 20 30 GGEDMO CCc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000261677779 1433898837 /nfs/dbraw/zinc/89/88/37/1433898837.db2.gz LESORKFJJQNVQS-GOSISDBHSA-N 1 1 389.908 3.109 20 30 GGEDMO C[NH+]=C(NCC1(N(C)C)CCOCC1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261772894 1433902875 /nfs/dbraw/zinc/90/28/75/1433902875.db2.gz NEWKXOOUWOTQQW-QHCPKHFHSA-N 1 1 398.595 3.043 20 30 GGEDMO C[NH+]=C(NCC1(N(C)C)CCOCC1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261772889 1433902942 /nfs/dbraw/zinc/90/29/42/1433902942.db2.gz NEWKXOOUWOTQQW-HSZRJFAPSA-N 1 1 398.595 3.043 20 30 GGEDMO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261978479 1433918565 /nfs/dbraw/zinc/91/85/65/1433918565.db2.gz OGEAAYWBPOFVEY-XHDPSFHLSA-N 1 1 377.945 3.097 20 30 GGEDMO Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)CCCN1C ZINC000262675190 1433949169 /nfs/dbraw/zinc/94/91/69/1433949169.db2.gz SWHAUDVGMFFCRU-LAUBAEHRSA-N 1 1 380.540 3.109 20 30 GGEDMO CC[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CC[C@H](N2CC=CC2)C1 ZINC000262757790 1433953855 /nfs/dbraw/zinc/95/38/55/1433953855.db2.gz BZSSDSRHFISOJJ-SFHVURJKSA-N 1 1 385.943 3.275 20 30 GGEDMO C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262774778 1433955257 /nfs/dbraw/zinc/95/52/57/1433955257.db2.gz KMSCVGOGVBVYAY-AZUAARDMSA-N 1 1 390.535 3.143 20 30 GGEDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000263652701 1434015856 /nfs/dbraw/zinc/01/58/56/1434015856.db2.gz DGRNSZOCTYRQPD-UHFFFAOYSA-N 1 1 377.452 3.326 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000263698494 1434022631 /nfs/dbraw/zinc/02/26/31/1434022631.db2.gz IEEWLTDCYUDOLT-MSOLQXFVSA-N 1 1 391.581 3.280 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1C ZINC000263714317 1434024494 /nfs/dbraw/zinc/02/44/94/1434024494.db2.gz KSOSUVYXLSUGPU-FQEVSTJZSA-N 1 1 398.551 3.034 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1C ZINC000263714317 1434024496 /nfs/dbraw/zinc/02/44/96/1434024496.db2.gz KSOSUVYXLSUGPU-FQEVSTJZSA-N 1 1 398.551 3.034 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263784049 1434033539 /nfs/dbraw/zinc/03/35/39/1434033539.db2.gz ZKGQNWCAEPXXTA-HNNXBMFYSA-N 1 1 394.450 3.375 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000263950193 1434052460 /nfs/dbraw/zinc/05/24/60/1434052460.db2.gz DKFBXRJHQAEMES-LJQANCHMSA-N 1 1 384.524 3.094 20 30 GGEDMO C=CCN(CC=C)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000263967362 1434054939 /nfs/dbraw/zinc/05/49/39/1434054939.db2.gz KSHCQGRVZDJUPC-UHFFFAOYSA-N 1 1 387.524 3.060 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCN1Cc1ccc(OCC#N)cc1 ZINC000264063741 1434068090 /nfs/dbraw/zinc/06/80/90/1434068090.db2.gz AHCFOKFBQRSXPJ-LJQANCHMSA-N 1 1 390.487 3.198 20 30 GGEDMO C[C@@H]1CN(Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264063741 1434068092 /nfs/dbraw/zinc/06/80/92/1434068092.db2.gz AHCFOKFBQRSXPJ-LJQANCHMSA-N 1 1 390.487 3.198 20 30 GGEDMO C[C@@H]1CN(Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264063741 1434068095 /nfs/dbraw/zinc/06/80/95/1434068095.db2.gz AHCFOKFBQRSXPJ-LJQANCHMSA-N 1 1 390.487 3.198 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1)C1CC1 ZINC000264082187 1434070203 /nfs/dbraw/zinc/07/02/03/1434070203.db2.gz OJUBTSKZXCYQDG-JOCHJYFZSA-N 1 1 380.467 3.074 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1)C1CC1 ZINC000264082187 1434070207 /nfs/dbraw/zinc/07/02/07/1434070207.db2.gz OJUBTSKZXCYQDG-JOCHJYFZSA-N 1 1 380.467 3.074 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CSc3ccc(C#N)cc3)c2)CCO1 ZINC000264084302 1434070413 /nfs/dbraw/zinc/07/04/13/1434070413.db2.gz GFEJLKKSDCYYFL-QGZVFWFLSA-N 1 1 395.528 3.187 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CSc3ccc(C#N)cc3)c2)CCO1 ZINC000264084302 1434070417 /nfs/dbraw/zinc/07/04/17/1434070417.db2.gz GFEJLKKSDCYYFL-QGZVFWFLSA-N 1 1 395.528 3.187 20 30 GGEDMO C=CCCO[C@@H](C)C(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000264112844 1434072725 /nfs/dbraw/zinc/07/27/25/1434072725.db2.gz MBBTYXUXAAJGQH-SFHVURJKSA-N 1 1 389.540 3.111 20 30 GGEDMO CC(C)c1nc(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)no1 ZINC000264242690 1434086694 /nfs/dbraw/zinc/08/66/94/1434086694.db2.gz VKVUGTKAIHLKQN-SFHVURJKSA-N 1 1 379.464 3.050 20 30 GGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000264460236 1434115658 /nfs/dbraw/zinc/11/56/58/1434115658.db2.gz PNCOLEYWTWSLIU-IAGOWNOFSA-N 1 1 379.460 3.357 20 30 GGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000264460238 1434115780 /nfs/dbraw/zinc/11/57/80/1434115780.db2.gz PNCOLEYWTWSLIU-IRXDYDNUSA-N 1 1 379.460 3.357 20 30 GGEDMO COCCC[N@H+](CCOC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000264490162 1434119324 /nfs/dbraw/zinc/11/93/24/1434119324.db2.gz SKNJLNBGURMLBS-MRXNPFEDSA-N 1 1 379.526 3.004 20 30 GGEDMO COCCC[N@@H+](CCOC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000264490162 1434119325 /nfs/dbraw/zinc/11/93/25/1434119325.db2.gz SKNJLNBGURMLBS-MRXNPFEDSA-N 1 1 379.526 3.004 20 30 GGEDMO N#Cc1ccc(CNC(=O)C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000264528613 1434124336 /nfs/dbraw/zinc/12/43/36/1434124336.db2.gz JZGJGBIOSYYICW-JOCHJYFZSA-N 1 1 397.906 3.273 20 30 GGEDMO COc1ccc([C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccc(F)cc2)cc1 ZINC000264621622 1434135929 /nfs/dbraw/zinc/13/59/29/1434135929.db2.gz ODUZTNDXUPZOES-QFIPXVFZSA-N 1 1 394.450 3.169 20 30 GGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cc1ccc(OCC#N)cc1 ZINC000264625156 1434136389 /nfs/dbraw/zinc/13/63/89/1434136389.db2.gz IGGHEFHEULWYGP-IFMALSPDSA-N 1 1 375.472 3.274 20 30 GGEDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000264641143 1434138779 /nfs/dbraw/zinc/13/87/79/1434138779.db2.gz DMHKODHDDITEHQ-UHFFFAOYSA-N 1 1 389.459 3.313 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000264733268 1434149797 /nfs/dbraw/zinc/14/97/97/1434149797.db2.gz ZZQZVTRKRFCKMR-ZVDOUQERSA-N 1 1 399.535 3.208 20 30 GGEDMO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000264767708 1434153266 /nfs/dbraw/zinc/15/32/66/1434153266.db2.gz ZYYOWCONQUMNLI-UHFFFAOYSA-N 1 1 377.488 3.103 20 30 GGEDMO N#CCCn1cc(CNCC2([NH+]3CCCC3)CCOCC2)c(-c2ccccc2)n1 ZINC000264930959 1434165323 /nfs/dbraw/zinc/16/53/23/1434165323.db2.gz AQNOVMWDTGGJLC-UHFFFAOYSA-N 1 1 393.535 3.198 20 30 GGEDMO Cc1ncc(CO)c(/C=N/[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1O ZINC000265032820 1434176703 /nfs/dbraw/zinc/17/67/03/1434176703.db2.gz GOUCDUHCNGHOJC-PIICOGJCSA-N 1 1 393.409 3.300 20 30 GGEDMO COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000265129349 1434188227 /nfs/dbraw/zinc/18/82/27/1434188227.db2.gz GMFXBAHSRSARID-SCLBCKFNSA-N 1 1 383.423 3.171 20 30 GGEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1OC ZINC000265150024 1434190576 /nfs/dbraw/zinc/19/05/76/1434190576.db2.gz BEABIFRPIDSHHW-HKUYNNGSSA-N 1 1 390.524 3.127 20 30 GGEDMO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000265164241 1434192700 /nfs/dbraw/zinc/19/27/00/1434192700.db2.gz SHTFCKULCNJIMT-IEBWSBKVSA-N 1 1 386.455 3.001 20 30 GGEDMO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000265164241 1434192701 /nfs/dbraw/zinc/19/27/01/1434192701.db2.gz SHTFCKULCNJIMT-IEBWSBKVSA-N 1 1 386.455 3.001 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000265250190 1434207134 /nfs/dbraw/zinc/20/71/34/1434207134.db2.gz QQCFKQJSXNPOFL-KNQAVFIVSA-N 1 1 398.551 3.393 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000265250194 1434207290 /nfs/dbraw/zinc/20/72/90/1434207290.db2.gz QQCFKQJSXNPOFL-UGKGYDQZSA-N 1 1 398.551 3.393 20 30 GGEDMO C[C@@H](c1ccc(NC(=O)NCc2ccc(OCC#N)cc2)cc1)[NH+]1CCOCC1 ZINC000265394883 1434228442 /nfs/dbraw/zinc/22/84/42/1434228442.db2.gz OIAYNGKTZODOQN-KRWDZBQOSA-N 1 1 394.475 3.304 20 30 GGEDMO C[C@H](c1ccc(NC(=O)NCc2ccc(OCC#N)cc2)cc1)[NH+]1CCOCC1 ZINC000265394885 1434228551 /nfs/dbraw/zinc/22/85/51/1434228551.db2.gz OIAYNGKTZODOQN-QGZVFWFLSA-N 1 1 394.475 3.304 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265848147 1434272347 /nfs/dbraw/zinc/27/23/47/1434272347.db2.gz PEJFNCLNDLHUJV-VYDXJSESSA-N 1 1 386.496 3.120 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000265848147 1434272348 /nfs/dbraw/zinc/27/23/48/1434272348.db2.gz PEJFNCLNDLHUJV-VYDXJSESSA-N 1 1 386.496 3.120 20 30 GGEDMO N#C[C@H](C(=O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000265982386 1434291997 /nfs/dbraw/zinc/29/19/97/1434291997.db2.gz FWWAISUZOVITED-IEBWSBKVSA-N 1 1 386.455 3.076 20 30 GGEDMO N#C[C@H](C(=O)C[N@H+]1CC[C@H](Cc2ccccc2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000265982386 1434291998 /nfs/dbraw/zinc/29/19/98/1434291998.db2.gz FWWAISUZOVITED-IEBWSBKVSA-N 1 1 386.455 3.076 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCc4c3cccc4O)CC2)cc1 ZINC000266834572 1434380281 /nfs/dbraw/zinc/38/02/81/1434380281.db2.gz UAZIYLKSVQMUTQ-NRFANRHFSA-N 1 1 390.487 3.169 20 30 GGEDMO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000266952385 1434392201 /nfs/dbraw/zinc/39/22/01/1434392201.db2.gz HJHJUOGBWJERGX-DENIHFKCSA-N 1 1 395.503 3.256 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](c3ncc[nH]3)C1)CCCC2 ZINC000266970347 1434394368 /nfs/dbraw/zinc/39/43/68/1434394368.db2.gz ZWBBKNHHWVYGOX-AWEZNQCLSA-N 1 1 383.521 3.430 20 30 GGEDMO COc1ccc(CNC2CC[NH+](CCOC(C)C)CC2)cc1OCCCC#N ZINC000267001729 1434397842 /nfs/dbraw/zinc/39/78/42/1434397842.db2.gz DAEXIQVDFFPFGA-UHFFFAOYSA-N 1 1 389.540 3.357 20 30 GGEDMO CC(C)Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000267054159 1434403433 /nfs/dbraw/zinc/40/34/33/1434403433.db2.gz KLALOSRWNRWWOK-UHFFFAOYSA-N 1 1 377.492 3.122 20 30 GGEDMO CC(C)Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000267054159 1434403434 /nfs/dbraw/zinc/40/34/34/1434403434.db2.gz KLALOSRWNRWWOK-UHFFFAOYSA-N 1 1 377.492 3.122 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1)CC(F)(F)F ZINC000267103031 1434407659 /nfs/dbraw/zinc/40/76/59/1434407659.db2.gz OXZLXZJJQDTJAB-KRWDZBQOSA-N 1 1 396.457 3.139 20 30 GGEDMO C[C@@]([NH2+]Cc1ccc(OCC#N)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000267411292 1434430166 /nfs/dbraw/zinc/43/01/66/1434430166.db2.gz TYRAZKPLIQEXLX-SFHVURJKSA-N 1 1 377.366 3.098 20 30 GGEDMO Cc1cc(N2CCC(Nc3nc(C(F)(F)F)ccc3C#N)CC2)nc(C)[nH+]1 ZINC000267437901 1434433004 /nfs/dbraw/zinc/43/30/04/1434433004.db2.gz YDKXKQDBTRTLNN-UHFFFAOYSA-N 1 1 376.386 3.460 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000267492608 1434440302 /nfs/dbraw/zinc/44/03/02/1434440302.db2.gz WLSNNPKAQUJEAW-XMSQKQJNSA-N 1 1 377.488 3.158 20 30 GGEDMO C[C@@H](c1cccc(N[C@H]2CCN(c3sccc3C#N)C2=O)c1)[NH+]1CCOCC1 ZINC000267572084 1434446816 /nfs/dbraw/zinc/44/68/16/1434446816.db2.gz NXRHZLUIBMEACJ-KXBFYZLASA-N 1 1 396.516 3.230 20 30 GGEDMO C[C@@H](c1cccc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1)[NH+]1CCOCC1 ZINC000267582620 1434447549 /nfs/dbraw/zinc/44/75/49/1434447549.db2.gz RHRLFKFSUWVBLK-JTSKRJEESA-N 1 1 390.487 3.169 20 30 GGEDMO N#CCOc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000267582363 1434447590 /nfs/dbraw/zinc/44/75/90/1434447590.db2.gz GWKYPNTUWMPTPQ-UHFFFAOYSA-N 1 1 377.488 3.256 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3ccccc3[C@H]1CO)CCC2 ZINC000268086355 1434493698 /nfs/dbraw/zinc/49/36/98/1434493698.db2.gz HSVMOJVYAGNWPW-GOSISDBHSA-N 1 1 381.501 3.029 20 30 GGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000268150493 1434497974 /nfs/dbraw/zinc/49/79/74/1434497974.db2.gz GSCURSARGVSTMM-SFHVURJKSA-N 1 1 381.476 3.438 20 30 GGEDMO CC1(C2CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)OCCO1 ZINC000268428678 1434521859 /nfs/dbraw/zinc/52/18/59/1434521859.db2.gz CRDXYWFVYKEFOT-UHFFFAOYSA-N 1 1 391.899 3.062 20 30 GGEDMO Cc1oc(NC(=O)C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1C ZINC000269445440 1434647195 /nfs/dbraw/zinc/64/71/95/1434647195.db2.gz ORVJSMKUBJNTAO-UHFFFAOYSA-N 1 1 390.484 3.038 20 30 GGEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(C#N)c1C ZINC000269663158 1434667803 /nfs/dbraw/zinc/66/78/03/1434667803.db2.gz UQDRTTGGJUGXEI-QGZVFWFLSA-N 1 1 383.448 3.093 20 30 GGEDMO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(C#N)c1C ZINC000269663158 1434667805 /nfs/dbraw/zinc/66/78/05/1434667805.db2.gz UQDRTTGGJUGXEI-QGZVFWFLSA-N 1 1 383.448 3.093 20 30 GGEDMO N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)c1 ZINC000269695249 1434669916 /nfs/dbraw/zinc/66/99/16/1434669916.db2.gz OTHTYADUBDMROM-NRFANRHFSA-N 1 1 394.519 3.142 20 30 GGEDMO CCOC(=O)Nc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2C)cc1C#N ZINC000269804623 1434677167 /nfs/dbraw/zinc/67/71/67/1434677167.db2.gz CPVPBKOSQMKCFA-UHFFFAOYSA-N 1 1 384.440 3.186 20 30 GGEDMO C#CC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2)c1ccccc1 ZINC000270305238 1434721554 /nfs/dbraw/zinc/72/15/54/1434721554.db2.gz XSTCPZVOKQLZER-HXUWFJFHSA-N 1 1 375.472 3.232 20 30 GGEDMO C#CC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2)c1ccccc1 ZINC000270305238 1434721556 /nfs/dbraw/zinc/72/15/56/1434721556.db2.gz XSTCPZVOKQLZER-HXUWFJFHSA-N 1 1 375.472 3.232 20 30 GGEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2)C1 ZINC000270531555 1434741922 /nfs/dbraw/zinc/74/19/22/1434741922.db2.gz VQDSCGATKPMMNM-SFHVURJKSA-N 1 1 393.487 3.491 20 30 GGEDMO CC(C)N1CC[NH+](C2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)CC1 ZINC000270687588 1434762151 /nfs/dbraw/zinc/76/21/51/1434762151.db2.gz ZPQCSOMNQWVXCV-JOCHJYFZSA-N 1 1 397.567 3.231 20 30 GGEDMO CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000270709417 1434764699 /nfs/dbraw/zinc/76/46/99/1434764699.db2.gz ZZTUMDQIWUCTQX-RTWAWAEBSA-N 1 1 398.551 3.369 20 30 GGEDMO CC(C)(C)[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000270709395 1434764857 /nfs/dbraw/zinc/76/48/57/1434764857.db2.gz ZZTUMDQIWUCTQX-LEWJYISDSA-N 1 1 398.551 3.369 20 30 GGEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000270821081 1434778566 /nfs/dbraw/zinc/77/85/66/1434778566.db2.gz IEVGNZDNYCRZHI-YMPZKCBVSA-N 1 1 378.516 3.346 20 30 GGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000270936427 1434789143 /nfs/dbraw/zinc/78/91/43/1434789143.db2.gz IXLMFVLJYZADCV-UHFFFAOYSA-N 1 1 388.512 3.169 20 30 GGEDMO N#Cc1ccnc(N2CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)c1 ZINC000271044492 1434798178 /nfs/dbraw/zinc/79/81/78/1434798178.db2.gz PPCAUPQEETWPBU-UHFFFAOYSA-N 1 1 385.471 3.249 20 30 GGEDMO COc1ccc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)cc1OCCCC#N ZINC000271112574 1434802642 /nfs/dbraw/zinc/80/26/42/1434802642.db2.gz AIHVWNSQPGBFEZ-OAQYLSRUSA-N 1 1 398.503 3.387 20 30 GGEDMO CCOC(=O)N1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000271177691 1434806639 /nfs/dbraw/zinc/80/66/39/1434806639.db2.gz GJZNHBYINOFMJB-UHFFFAOYSA-N 1 1 375.469 3.042 20 30 GGEDMO CCOC(=O)N1CCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000271177691 1434806641 /nfs/dbraw/zinc/80/66/41/1434806641.db2.gz GJZNHBYINOFMJB-UHFFFAOYSA-N 1 1 375.469 3.042 20 30 GGEDMO Cc1nn2c(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(C)nc2s1 ZINC000271193808 1434807530 /nfs/dbraw/zinc/80/75/30/1434807530.db2.gz TZOYGEYHCNHXHT-UHFFFAOYSA-N 1 1 394.504 3.130 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@]2(C)CCCO)c1C#N ZINC000271204144 1434807861 /nfs/dbraw/zinc/80/78/61/1434807861.db2.gz RPPSQSZFZVNNNA-QFIPXVFZSA-N 1 1 398.507 3.183 20 30 GGEDMO C=CCOc1ccc(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1OC ZINC000271231302 1434809646 /nfs/dbraw/zinc/80/96/46/1434809646.db2.gz UNNVGTGNNKPXMA-UHFFFAOYSA-N 1 1 387.568 3.250 20 30 GGEDMO C[C@H]([NH2+]CC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(C#N)cc1 ZINC000271653547 1434842041 /nfs/dbraw/zinc/84/20/41/1434842041.db2.gz JOLFHEURWHNHHJ-KRWDZBQOSA-N 1 1 394.544 3.396 20 30 GGEDMO C#CC[C@H]([NH2+]Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1)c1ccccc1 ZINC000271700829 1434845045 /nfs/dbraw/zinc/84/50/45/1434845045.db2.gz MLFAEEZZKOCBRH-HNNXBMFYSA-N 1 1 389.381 3.396 20 30 GGEDMO CC(C)C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271981057 1434863360 /nfs/dbraw/zinc/86/33/60/1434863360.db2.gz OWNBDTFJYYIMGM-VXKWHMMOSA-N 1 1 398.551 3.369 20 30 GGEDMO C#CCC[NH+]1CCN(C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032245 1434867422 /nfs/dbraw/zinc/86/74/22/1434867422.db2.gz PHGUVPREFNHVLV-JWQCQUIFSA-N 1 1 392.543 3.103 20 30 GGEDMO C#CCC[NH+]1CCN(C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032246 1434867463 /nfs/dbraw/zinc/86/74/63/1434867463.db2.gz PHGUVPREFNHVLV-LOSJGSFVSA-N 1 1 392.543 3.103 20 30 GGEDMO Cc1cc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272052121 1434868997 /nfs/dbraw/zinc/86/89/97/1434868997.db2.gz HPPNRGSTUZVLAH-LJQANCHMSA-N 1 1 380.496 3.234 20 30 GGEDMO Cc1cc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)nn1CCC#N ZINC000272067737 1434870078 /nfs/dbraw/zinc/87/00/78/1434870078.db2.gz JUGHLWXCNJBSQM-UHFFFAOYSA-N 1 1 380.496 3.064 20 30 GGEDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1CCC#N ZINC000272081305 1434870784 /nfs/dbraw/zinc/87/07/84/1434870784.db2.gz LQSJZONZMDNQII-QFBILLFUSA-N 1 1 380.496 3.137 20 30 GGEDMO CS(=O)(=O)Cc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000272192380 1434877100 /nfs/dbraw/zinc/87/71/00/1434877100.db2.gz QDTUKOKPIJWTLI-UHFFFAOYSA-N 1 1 383.517 3.179 20 30 GGEDMO C=C(C)CN1CCC([NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000272246693 1434881388 /nfs/dbraw/zinc/88/13/88/1434881388.db2.gz BKGVMANLDLHABT-UHFFFAOYSA-N 1 1 399.438 3.377 20 30 GGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@H]2C1 ZINC000272380253 1434892200 /nfs/dbraw/zinc/89/22/00/1434892200.db2.gz BRQYKYPGZJMHRP-UGKGYDQZSA-N 1 1 375.472 3.303 20 30 GGEDMO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272451187 1434897206 /nfs/dbraw/zinc/89/72/06/1434897206.db2.gz PQFZBSQGKPNJIQ-PKOBYXMFSA-N 1 1 380.496 3.137 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nnc(-c4ccccn4)s3)CC2)cc1 ZINC000272534757 1434904856 /nfs/dbraw/zinc/90/48/56/1434904856.db2.gz PDLRYLMIYQYJDV-UHFFFAOYSA-N 1 1 376.489 3.184 20 30 GGEDMO COCC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccco1 ZINC000272532698 1434904912 /nfs/dbraw/zinc/90/49/12/1434904912.db2.gz ZCXVYDXNYXJOFJ-DLBZAZTESA-N 1 1 385.464 3.291 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000272538957 1434905683 /nfs/dbraw/zinc/90/56/83/1434905683.db2.gz ROZRIMLIJVJMCW-DOTOQJQBSA-N 1 1 386.496 3.122 20 30 GGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc([C@H]4CCCO4)s3)C2=O)cc1 ZINC000272621347 1434916341 /nfs/dbraw/zinc/91/63/41/1434916341.db2.gz WGAOLBCASVIGTD-QZTJIDSGSA-N 1 1 382.489 3.151 20 30 GGEDMO Cc1cc(C2CC[NH+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)n[nH]1 ZINC000272906731 1434940213 /nfs/dbraw/zinc/94/02/13/1434940213.db2.gz GXCHEQSSSQJMCO-UHFFFAOYSA-N 1 1 379.508 3.461 20 30 GGEDMO Cc1cc(C2CC[NH+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)[nH]n1 ZINC000272906731 1434940215 /nfs/dbraw/zinc/94/02/15/1434940215.db2.gz GXCHEQSSSQJMCO-UHFFFAOYSA-N 1 1 379.508 3.461 20 30 GGEDMO C=CCS(=O)(=O)CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000272913612 1434940594 /nfs/dbraw/zinc/94/05/94/1434940594.db2.gz DWJXRNUXCKXGCD-UHFFFAOYSA-N 1 1 393.553 3.173 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000272977425 1434945883 /nfs/dbraw/zinc/94/58/83/1434945883.db2.gz PTDWZJDZLDDOST-QGZVFWFLSA-N 1 1 395.507 3.242 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000272977425 1434945884 /nfs/dbraw/zinc/94/58/84/1434945884.db2.gz PTDWZJDZLDDOST-QGZVFWFLSA-N 1 1 395.507 3.242 20 30 GGEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)/C=C/c3ccc(OCC#N)cc3)sc2C1 ZINC000273002015 1434949021 /nfs/dbraw/zinc/94/90/21/1434949021.db2.gz HQRCATZBINQHEJ-VMPITWQZSA-N 1 1 382.489 3.464 20 30 GGEDMO CC(C)[N@H+]1CCc2nc(NC(=O)/C=C/c3ccc(OCC#N)cc3)sc2C1 ZINC000273002015 1434949025 /nfs/dbraw/zinc/94/90/25/1434949025.db2.gz HQRCATZBINQHEJ-VMPITWQZSA-N 1 1 382.489 3.464 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3cc(C)[nH]n3)CC2)c(OC)c1 ZINC000273016925 1434950548 /nfs/dbraw/zinc/95/05/48/1434950548.db2.gz RMNZQBCMFRJDRD-LJQANCHMSA-N 1 1 385.508 3.075 20 30 GGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000273017396 1434950738 /nfs/dbraw/zinc/95/07/38/1434950738.db2.gz KILHNMCTUUJTKN-CTNGQTDRSA-N 1 1 381.501 3.004 20 30 GGEDMO Cc1cc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)n[nH]1 ZINC000273036008 1434953180 /nfs/dbraw/zinc/95/31/80/1434953180.db2.gz VMZXCZZMRBDHJE-MRXNPFEDSA-N 1 1 383.471 3.372 20 30 GGEDMO Cc1cc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)[nH]n1 ZINC000273036008 1434953182 /nfs/dbraw/zinc/95/31/82/1434953182.db2.gz VMZXCZZMRBDHJE-MRXNPFEDSA-N 1 1 383.471 3.372 20 30 GGEDMO N#CCCN(C(=O)C[NH2+][C@H](CO)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000273087915 1434959404 /nfs/dbraw/zinc/95/94/04/1434959404.db2.gz IXEFGFAWTYUFHP-GOSISDBHSA-N 1 1 375.831 3.049 20 30 GGEDMO COCC[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000273207745 1434972416 /nfs/dbraw/zinc/97/24/16/1434972416.db2.gz BBZIILJBHGTBFI-KRWDZBQOSA-N 1 1 394.393 3.134 20 30 GGEDMO Cc1cc(-c2noc([C@H](C)[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)n2)ccc1F ZINC000273314227 1434980241 /nfs/dbraw/zinc/98/02/41/1434980241.db2.gz NXGGOBGLDMPDDW-WMLDXEAASA-N 1 1 396.422 3.146 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000273318933 1434980335 /nfs/dbraw/zinc/98/03/35/1434980335.db2.gz OWXJOPXIGJKNHD-DOUBQNQPSA-N 1 1 390.574 3.361 20 30 GGEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273392087 1434985748 /nfs/dbraw/zinc/98/57/48/1434985748.db2.gz FJMYIFGICYZQOK-NHCUHLMSSA-N 1 1 381.451 3.166 20 30 GGEDMO C[N@H+]1CCCN(c2ccc(-c3noc(/C=C/c4ccccc4C#N)n3)cn2)CC1 ZINC000273794972 1435015125 /nfs/dbraw/zinc/01/51/25/1435015125.db2.gz HFXDTHHMLTXTGG-CSKARUKUSA-N 1 1 386.459 3.316 20 30 GGEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000274200714 1435050794 /nfs/dbraw/zinc/05/07/94/1435050794.db2.gz TVURSJQPSNXBHP-GOSISDBHSA-N 1 1 388.475 3.207 20 30 GGEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000274200714 1435050796 /nfs/dbraw/zinc/05/07/96/1435050796.db2.gz TVURSJQPSNXBHP-GOSISDBHSA-N 1 1 388.475 3.207 20 30 GGEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788816 1435092657 /nfs/dbraw/zinc/09/26/57/1435092657.db2.gz BOHAZDDEWPJURT-DYXWJJEUSA-N 1 1 382.552 3.218 20 30 GGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788816 1435092658 /nfs/dbraw/zinc/09/26/58/1435092658.db2.gz BOHAZDDEWPJURT-DYXWJJEUSA-N 1 1 382.552 3.218 20 30 GGEDMO Cc1cc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)nn1CCC#N ZINC000274869945 1435099575 /nfs/dbraw/zinc/09/95/75/1435099575.db2.gz WYVIPGYEUUYJBI-IBGZPJMESA-N 1 1 380.496 3.137 20 30 GGEDMO Cc1oc(NC(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274881114 1435100742 /nfs/dbraw/zinc/10/07/42/1435100742.db2.gz ZRVCNWLYYCXPNT-MGPUTAFESA-N 1 1 380.492 3.207 20 30 GGEDMO N#CCCCOc1cccnc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274885153 1435101173 /nfs/dbraw/zinc/10/11/73/1435101173.db2.gz GNUUUTVDEBGVRE-SFHVURJKSA-N 1 1 379.464 3.160 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](O)C(C)(C)C3)sc2C1 ZINC000275414338 1435137831 /nfs/dbraw/zinc/13/78/31/1435137831.db2.gz GPLPENCEZKICKI-CXAGYDPISA-N 1 1 375.538 3.166 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](O)C(C)(C)C3)sc2C1 ZINC000275414346 1435137877 /nfs/dbraw/zinc/13/78/77/1435137877.db2.gz GPLPENCEZKICKI-GUYCJALGSA-N 1 1 375.538 3.166 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000275457345 1435140569 /nfs/dbraw/zinc/14/05/69/1435140569.db2.gz MAAYCIYOCRNEPD-CYBMUJFWSA-N 1 1 383.402 3.270 20 30 GGEDMO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000275886247 1435177184 /nfs/dbraw/zinc/17/71/84/1435177184.db2.gz DYDOODQSUGKGQW-UHFFFAOYSA-N 1 1 381.476 3.201 20 30 GGEDMO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000275886247 1435177185 /nfs/dbraw/zinc/17/71/85/1435177185.db2.gz DYDOODQSUGKGQW-UHFFFAOYSA-N 1 1 381.476 3.201 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4ccccc4c(=O)o3)CC2)cc1 ZINC000277394097 1435301453 /nfs/dbraw/zinc/30/14/53/1435301453.db2.gz KLMXPWKFMBXROK-UHFFFAOYSA-N 1 1 387.439 3.013 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4ccccc4c(=O)o3)CC2)cc1 ZINC000277394097 1435301455 /nfs/dbraw/zinc/30/14/55/1435301455.db2.gz KLMXPWKFMBXROK-UHFFFAOYSA-N 1 1 387.439 3.013 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(-c4cc[nH]n4)s3)CC2)cc1 ZINC000277516737 1435309759 /nfs/dbraw/zinc/30/97/59/1435309759.db2.gz WPGOTPKGNPOEDJ-UHFFFAOYSA-N 1 1 391.500 3.358 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(-c4cc[nH]n4)s3)CC2)cc1 ZINC000277516737 1435309762 /nfs/dbraw/zinc/30/97/62/1435309762.db2.gz WPGOTPKGNPOEDJ-UHFFFAOYSA-N 1 1 391.500 3.358 20 30 GGEDMO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(CO)(Cc3ccccc3)CC2)C1=O ZINC000277630416 1435317643 /nfs/dbraw/zinc/31/76/43/1435317643.db2.gz BFICIVARPJXAQE-LJQANCHMSA-N 1 1 395.528 3.042 20 30 GGEDMO COc1ccc(S(=O)(=O)N2CCC[N@@H+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000277646985 1435318919 /nfs/dbraw/zinc/31/89/19/1435318919.db2.gz IACCBZRPFNIYMS-UHFFFAOYSA-N 1 1 393.553 3.112 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000277672240 1435320897 /nfs/dbraw/zinc/32/08/97/1435320897.db2.gz FTFHZQOGMVJLCZ-CRAIPNDOSA-N 1 1 378.398 3.094 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277756234 1435327458 /nfs/dbraw/zinc/32/74/58/1435327458.db2.gz JUAMLASORMAZRY-KBPBESRZSA-N 1 1 397.445 3.339 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277756234 1435327460 /nfs/dbraw/zinc/32/74/60/1435327460.db2.gz JUAMLASORMAZRY-KBPBESRZSA-N 1 1 397.445 3.339 20 30 GGEDMO N#CCCN(C(=O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1)c1ccccc1 ZINC000277818937 1435333450 /nfs/dbraw/zinc/33/34/50/1435333450.db2.gz QSWKXRVTQBAKMJ-UHFFFAOYSA-N 1 1 391.515 3.250 20 30 GGEDMO CC(C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H](O)COc1ccccc1 ZINC000277910651 1435341616 /nfs/dbraw/zinc/34/16/16/1435341616.db2.gz YNDXBULYRYDSHF-LJQANCHMSA-N 1 1 392.459 3.259 20 30 GGEDMO CC(C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H](O)COc1ccccc1 ZINC000277910651 1435341618 /nfs/dbraw/zinc/34/16/18/1435341618.db2.gz YNDXBULYRYDSHF-LJQANCHMSA-N 1 1 392.459 3.259 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(Cc3ccc(OCc4cccnc4)cc3)no2)CC1 ZINC000278245259 1435373285 /nfs/dbraw/zinc/37/32/85/1435373285.db2.gz YPHZMBWPVAENSB-UHFFFAOYSA-N 1 1 388.471 3.447 20 30 GGEDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000278401738 1435387718 /nfs/dbraw/zinc/38/77/18/1435387718.db2.gz WQBSZJBMRXPMPX-DENIHFKCSA-N 1 1 380.488 3.071 20 30 GGEDMO COC[C@H](C)OC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000278458718 1435392486 /nfs/dbraw/zinc/39/24/86/1435392486.db2.gz YNKNPTWYOTUIOV-JTSKRJEESA-N 1 1 386.467 3.112 20 30 GGEDMO COC[C@@H](C)OC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000278458719 1435392620 /nfs/dbraw/zinc/39/26/20/1435392620.db2.gz YNKNPTWYOTUIOV-VGOFRKELSA-N 1 1 386.467 3.112 20 30 GGEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278587319 1435402746 /nfs/dbraw/zinc/40/27/46/1435402746.db2.gz YUSDPFDFIASHNL-INIZCTEOSA-N 1 1 386.496 3.062 20 30 GGEDMO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000278629111 1435407251 /nfs/dbraw/zinc/40/72/51/1435407251.db2.gz KTHNKGIZCMKOBS-KRWDZBQOSA-N 1 1 389.565 3.088 20 30 GGEDMO Cc1c[nH+]ccc1OC1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000278670064 1435412597 /nfs/dbraw/zinc/41/25/97/1435412597.db2.gz QZYPXFPOJYWRCP-UHFFFAOYSA-N 1 1 375.432 3.355 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C)C1 ZINC000279110773 1435461531 /nfs/dbraw/zinc/46/15/31/1435461531.db2.gz UUTWUDWTUWPOGP-LPHOPBHVSA-N 1 1 396.491 3.080 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000279117301 1435461985 /nfs/dbraw/zinc/46/19/85/1435461985.db2.gz WOPOFGZYDFYIDV-FOIQADDNSA-N 1 1 393.478 3.477 20 30 GGEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000279197145 1435470358 /nfs/dbraw/zinc/47/03/58/1435470358.db2.gz IQNBIALOMGCLOH-LJQANCHMSA-N 1 1 387.915 3.004 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000279198602 1435470707 /nfs/dbraw/zinc/47/07/07/1435470707.db2.gz FULGUGSYGZUALM-NRFANRHFSA-N 1 1 384.451 3.118 20 30 GGEDMO C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000279237742 1435475372 /nfs/dbraw/zinc/47/53/72/1435475372.db2.gz FNXASVQIXCVTLJ-HXUWFJFHSA-N 1 1 387.487 3.021 20 30 GGEDMO N#CCCn1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)n1 ZINC000279345797 1435488892 /nfs/dbraw/zinc/48/88/92/1435488892.db2.gz FNLZHZMXANQBII-KNQAVFIVSA-N 1 1 390.535 3.307 20 30 GGEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1COc2ccccc2O1 ZINC000279356502 1435490435 /nfs/dbraw/zinc/49/04/35/1435490435.db2.gz GVBJRXYDTKEAFJ-IBGZPJMESA-N 1 1 389.459 3.131 20 30 GGEDMO COc1ccc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1O ZINC000279367566 1435491756 /nfs/dbraw/zinc/49/17/56/1435491756.db2.gz IJLMSQBBONMDQS-UHFFFAOYSA-N 1 1 377.448 3.205 20 30 GGEDMO C=C(C)C[N@@H+](CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)Cc1ccccc1 ZINC000279387595 1435493703 /nfs/dbraw/zinc/49/37/03/1435493703.db2.gz TZZSGEOMOFMOCE-UHFFFAOYSA-N 1 1 385.552 3.170 20 30 GGEDMO C=C(C)C[N@H+](CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)Cc1ccccc1 ZINC000279387595 1435493704 /nfs/dbraw/zinc/49/37/04/1435493704.db2.gz TZZSGEOMOFMOCE-UHFFFAOYSA-N 1 1 385.552 3.170 20 30 GGEDMO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1n1ccnc1 ZINC000279490811 1435505347 /nfs/dbraw/zinc/50/53/47/1435505347.db2.gz XYSHYDDCBGBBKT-YLJYHZDGSA-N 1 1 375.480 3.138 20 30 GGEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000279578385 1435514856 /nfs/dbraw/zinc/51/48/56/1435514856.db2.gz UIENTBOYOVPGRQ-GOSISDBHSA-N 1 1 399.564 3.022 20 30 GGEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000279696139 1435530653 /nfs/dbraw/zinc/53/06/53/1435530653.db2.gz IFLMQNBIQLODGW-OXJNMPFZSA-N 1 1 375.900 3.130 20 30 GGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000279696139 1435530658 /nfs/dbraw/zinc/53/06/58/1435530658.db2.gz IFLMQNBIQLODGW-OXJNMPFZSA-N 1 1 375.900 3.130 20 30 GGEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000279696138 1435530829 /nfs/dbraw/zinc/53/08/29/1435530829.db2.gz IFLMQNBIQLODGW-JXFKEZNVSA-N 1 1 375.900 3.130 20 30 GGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000279696138 1435530830 /nfs/dbraw/zinc/53/08/30/1435530830.db2.gz IFLMQNBIQLODGW-JXFKEZNVSA-N 1 1 375.900 3.130 20 30 GGEDMO C#CCn1ccc(C[N@H+](CC)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000279721750 1435534976 /nfs/dbraw/zinc/53/49/76/1435534976.db2.gz LVQUKYLSZRIMSM-UHFFFAOYSA-N 1 1 379.420 3.144 20 30 GGEDMO C#CCn1ccc(C[N@@H+](CC)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000279721750 1435534980 /nfs/dbraw/zinc/53/49/80/1435534980.db2.gz LVQUKYLSZRIMSM-UHFFFAOYSA-N 1 1 379.420 3.144 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1C#N ZINC000279742117 1435537155 /nfs/dbraw/zinc/53/71/55/1435537155.db2.gz KQCZIGCPLHTVFZ-MAUKXSAKSA-N 1 1 398.507 3.182 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1C#N ZINC000279742117 1435537158 /nfs/dbraw/zinc/53/71/58/1435537158.db2.gz KQCZIGCPLHTVFZ-MAUKXSAKSA-N 1 1 398.507 3.182 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000279781273 1435542109 /nfs/dbraw/zinc/54/21/09/1435542109.db2.gz FOHHEUBZFLNSQL-UNMCSNQZSA-N 1 1 391.515 3.101 20 30 GGEDMO Clc1ccc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)c(-n2cncn2)c1 ZINC000279946325 1435567515 /nfs/dbraw/zinc/56/75/15/1435567515.db2.gz YCQJXNGUEWEXED-WYMPLXKRSA-N 1 1 397.866 3.308 20 30 GGEDMO C[NH+](C)[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000279988704 1435573022 /nfs/dbraw/zinc/57/30/22/1435573022.db2.gz OQVKFAYLBBYULT-YLJYHZDGSA-N 1 1 380.879 3.313 20 30 GGEDMO C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000280037323 1435580858 /nfs/dbraw/zinc/58/08/58/1435580858.db2.gz LITALOPBRYCULQ-HXUWFJFHSA-N 1 1 375.538 3.454 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@](C)(O)CC2)c1C#N ZINC000280046824 1435582508 /nfs/dbraw/zinc/58/25/08/1435582508.db2.gz LYICWWJCRZUBCK-QHCPKHFHSA-N 1 1 394.519 3.200 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@](C)(O)CC2)c1C#N ZINC000280046824 1435582509 /nfs/dbraw/zinc/58/25/09/1435582509.db2.gz LYICWWJCRZUBCK-QHCPKHFHSA-N 1 1 394.519 3.200 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@](C)(O)CC3)sc2C1 ZINC000280086653 1435589888 /nfs/dbraw/zinc/58/98/88/1435589888.db2.gz OFAIAVIBTXDTTN-VBKZILBWSA-N 1 1 375.538 3.310 20 30 GGEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)sc2C1 ZINC000280119878 1435595180 /nfs/dbraw/zinc/59/51/80/1435595180.db2.gz UMKQXVIGOIWITI-INIZCTEOSA-N 1 1 379.489 3.102 20 30 GGEDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)sc2C1 ZINC000280119878 1435595183 /nfs/dbraw/zinc/59/51/83/1435595183.db2.gz UMKQXVIGOIWITI-INIZCTEOSA-N 1 1 379.489 3.102 20 30 GGEDMO C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280158659 1435601253 /nfs/dbraw/zinc/60/12/53/1435601253.db2.gz RXTCQKPQGSDEQP-OFAXGOBFSA-N 1 1 386.499 3.267 20 30 GGEDMO C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280158655 1435601432 /nfs/dbraw/zinc/60/14/32/1435601432.db2.gz RXTCQKPQGSDEQP-NMNUPHIUSA-N 1 1 386.499 3.267 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000280171905 1435603601 /nfs/dbraw/zinc/60/36/01/1435603601.db2.gz SNYSYFUTJZSEGB-LEOXJPRUSA-N 1 1 386.499 3.410 20 30 GGEDMO C=C(C)C[NH+]1CCC(N[C@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000280181463 1435604817 /nfs/dbraw/zinc/60/48/17/1435604817.db2.gz AFDVOGAKGFFXAQ-GOSISDBHSA-N 1 1 399.988 3.329 20 30 GGEDMO C[C@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000280381550 1435649587 /nfs/dbraw/zinc/64/95/87/1435649587.db2.gz MRMZGZAVLVJACA-WMZHIEFXSA-N 1 1 386.499 3.364 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000280554731 1435678895 /nfs/dbraw/zinc/67/88/95/1435678895.db2.gz IZDGJESWLOBXPF-SFHVURJKSA-N 1 1 376.451 3.211 20 30 GGEDMO COc1ccc(C[N@H+](CCc2ccccn2)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000280590535 1435684435 /nfs/dbraw/zinc/68/44/35/1435684435.db2.gz UFOFCZWCLRSLIB-HSZRJFAPSA-N 1 1 394.519 3.189 20 30 GGEDMO COc1ccc(C[N@@H+](CCc2ccccn2)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000280590535 1435684439 /nfs/dbraw/zinc/68/44/39/1435684439.db2.gz UFOFCZWCLRSLIB-HSZRJFAPSA-N 1 1 394.519 3.189 20 30 GGEDMO C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)C(=O)Nc1ccccc1C#N ZINC000280596912 1435685744 /nfs/dbraw/zinc/68/57/44/1435685744.db2.gz UUJNPYYYAJMCMU-BLLLJJGKSA-N 1 1 393.365 3.107 20 30 GGEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280709160 1435707499 /nfs/dbraw/zinc/70/74/99/1435707499.db2.gz JCZWLNHAHPNOOH-ZBFHGGJFSA-N 1 1 391.821 3.036 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280726313 1435710136 /nfs/dbraw/zinc/71/01/36/1435710136.db2.gz CPEJQBXOVMLCTG-WIYYLYMNSA-N 1 1 378.476 3.008 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280726313 1435710141 /nfs/dbraw/zinc/71/01/41/1435710141.db2.gz CPEJQBXOVMLCTG-WIYYLYMNSA-N 1 1 378.476 3.008 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280726305 1435710421 /nfs/dbraw/zinc/71/04/21/1435710421.db2.gz CPEJQBXOVMLCTG-NQIIRXRSSA-N 1 1 378.476 3.008 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280726305 1435710429 /nfs/dbraw/zinc/71/04/29/1435710429.db2.gz CPEJQBXOVMLCTG-NQIIRXRSSA-N 1 1 378.476 3.008 20 30 GGEDMO C[C@H](CN1CCOCC1)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281135191 1435782084 /nfs/dbraw/zinc/78/20/84/1435782084.db2.gz ACYXCOBHTUXSGY-OAQYLSRUSA-N 1 1 385.552 3.310 20 30 GGEDMO CN(C(=O)[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1)c1ccccc1 ZINC000281150963 1435784989 /nfs/dbraw/zinc/78/49/89/1435784989.db2.gz PIBJFHQUDVUSML-FQEVSTJZSA-N 1 1 399.498 3.444 20 30 GGEDMO N#Cc1cccc(-n2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)n2)c1 ZINC000281164237 1435787594 /nfs/dbraw/zinc/78/75/94/1435787594.db2.gz HHNUWWDOZFOGPB-UHFFFAOYSA-N 1 1 385.471 3.092 20 30 GGEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c(C#N)c1C ZINC000281193825 1435793230 /nfs/dbraw/zinc/79/32/30/1435793230.db2.gz RNGNPPXOSCTIDX-MRXNPFEDSA-N 1 1 396.516 3.160 20 30 GGEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c(C#N)c1C ZINC000281193825 1435793241 /nfs/dbraw/zinc/79/32/41/1435793241.db2.gz RNGNPPXOSCTIDX-MRXNPFEDSA-N 1 1 396.516 3.160 20 30 GGEDMO C[NH+](C)Cc1cc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)ccc1Cl ZINC000281364716 1435805738 /nfs/dbraw/zinc/80/57/38/1435805738.db2.gz FYUVFNYZXQYTJM-UHFFFAOYSA-N 1 1 396.878 3.017 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000281473275 1435810360 /nfs/dbraw/zinc/81/03/60/1435810360.db2.gz HLIDPSDPKWGAMW-JBACZVJFSA-N 1 1 386.540 3.059 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000281473272 1435810364 /nfs/dbraw/zinc/81/03/64/1435810364.db2.gz HLIDPSDPKWGAMW-GIVPXCGWSA-N 1 1 386.540 3.059 20 30 GGEDMO C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000281504662 1435811698 /nfs/dbraw/zinc/81/16/98/1435811698.db2.gz WYPXKOUJYBWMMH-FUHWJXTLSA-N 1 1 377.492 3.127 20 30 GGEDMO N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4Cc4ccccc43)n2)c1 ZINC000282012480 1435830973 /nfs/dbraw/zinc/83/09/73/1435830973.db2.gz XACJLGFWMSKSAB-FQEVSTJZSA-N 1 1 383.455 3.369 20 30 GGEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000282172255 1435837251 /nfs/dbraw/zinc/83/72/51/1435837251.db2.gz DUPURFDNUNJYPH-CTNGQTDRSA-N 1 1 388.519 3.456 20 30 GGEDMO C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000282245532 1435839944 /nfs/dbraw/zinc/83/99/44/1435839944.db2.gz KJDPEEUAFLHEBS-PXNSSMCTSA-N 1 1 397.523 3.145 20 30 GGEDMO C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000282245527 1435839994 /nfs/dbraw/zinc/83/99/94/1435839994.db2.gz KJDPEEUAFLHEBS-FXAWDEMLSA-N 1 1 397.523 3.145 20 30 GGEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000282482778 1435848866 /nfs/dbraw/zinc/84/88/66/1435848866.db2.gz NJMVJHVFWKTWDI-OAHLLOKOSA-N 1 1 378.505 3.298 20 30 GGEDMO C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000282539798 1435850791 /nfs/dbraw/zinc/85/07/91/1435850791.db2.gz HYSDCOWXRXIVFR-LJQANCHMSA-N 1 1 383.540 3.254 20 30 GGEDMO Cc1cc(Cl)nc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000282742064 1435858629 /nfs/dbraw/zinc/85/86/29/1435858629.db2.gz FNVTXASWRVMCTO-UHFFFAOYSA-N 1 1 397.910 3.333 20 30 GGEDMO COCC[N@H+](Cc1c(C)nn(-c2ccccn2)c1C)Cc1ccc(C#N)cc1 ZINC000282771467 1435859756 /nfs/dbraw/zinc/85/97/56/1435859756.db2.gz JNBICPFLWVVEEQ-UHFFFAOYSA-N 1 1 375.476 3.404 20 30 GGEDMO COCC[N@@H+](Cc1c(C)nn(-c2ccccn2)c1C)Cc1ccc(C#N)cc1 ZINC000282771467 1435859757 /nfs/dbraw/zinc/85/97/57/1435859757.db2.gz JNBICPFLWVVEEQ-UHFFFAOYSA-N 1 1 375.476 3.404 20 30 GGEDMO CCN1CC[NH+]([C@H]2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)C2)CC1 ZINC000282879549 1435864341 /nfs/dbraw/zinc/86/43/41/1435864341.db2.gz QYWWLHNQTRIWJE-KRWDZBQOSA-N 1 1 383.927 3.285 20 30 GGEDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000283794820 1435925374 /nfs/dbraw/zinc/92/53/74/1435925374.db2.gz UQCKEFVZHCYVFT-URVUXULASA-N 1 1 387.487 3.107 20 30 GGEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000284151024 1435999715 /nfs/dbraw/zinc/99/97/15/1435999715.db2.gz WOHIWGYXTLJXFJ-ICSRJNTNSA-N 1 1 376.508 3.290 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1C#N ZINC000284801098 1436051041 /nfs/dbraw/zinc/05/10/41/1436051041.db2.gz OPVAZURTZBVUKQ-UXHICEINSA-N 1 1 396.491 3.200 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1C#N ZINC000284801098 1436051046 /nfs/dbraw/zinc/05/10/46/1436051046.db2.gz OPVAZURTZBVUKQ-UXHICEINSA-N 1 1 396.491 3.200 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1C#N ZINC000284801095 1436051098 /nfs/dbraw/zinc/05/10/98/1436051098.db2.gz OPVAZURTZBVUKQ-PMACEKPBSA-N 1 1 396.491 3.200 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1C#N ZINC000284801095 1436051103 /nfs/dbraw/zinc/05/11/03/1436051103.db2.gz OPVAZURTZBVUKQ-PMACEKPBSA-N 1 1 396.491 3.200 20 30 GGEDMO C[C@@H]1CN(C(F)(F)c2nc(Cl)c(C#N)c(C(F)(F)F)n2)[C@@H](C)C[N@@H+]1C ZINC001164634026 719255865 /nfs/dbraw/zinc/25/58/65/719255865.db2.gz LYZFQVAKZPIEOW-SFYZADRCSA-N 1 1 383.752 3.094 20 30 GGEDMO C[C@@H]1CN(C(F)(F)c2nc(Cl)c(C#N)c(C(F)(F)F)n2)[C@@H](C)C[N@H+]1C ZINC001164634026 719255868 /nfs/dbraw/zinc/25/58/68/719255868.db2.gz LYZFQVAKZPIEOW-SFYZADRCSA-N 1 1 383.752 3.094 20 30 GGEDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001164634025 719256015 /nfs/dbraw/zinc/25/60/15/719256015.db2.gz LYZFQVAKZPIEOW-JGVFFNPUSA-N 1 1 383.752 3.094 20 30 GGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC001164634025 719256019 /nfs/dbraw/zinc/25/60/19/719256019.db2.gz LYZFQVAKZPIEOW-JGVFFNPUSA-N 1 1 383.752 3.094 20 30 GGEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164648717 719310966 /nfs/dbraw/zinc/31/09/66/719310966.db2.gz KTEPLWSDFDJSHS-UHFFFAOYSA-N 1 1 378.524 3.429 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc(C#N)cc31)C2 ZINC001164809119 720102760 /nfs/dbraw/zinc/10/27/60/720102760.db2.gz HCFKXZAJRQJZLY-OFNKIYASSA-N 1 1 376.504 3.291 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(Cl)cc1C#N)C2 ZINC001164815470 720116307 /nfs/dbraw/zinc/11/63/07/720116307.db2.gz VUVBELMNAJRNDJ-KXBFYZLASA-N 1 1 395.334 3.445 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(Cl)cc1C#N)C2 ZINC001164815464 720116373 /nfs/dbraw/zinc/11/63/73/720116373.db2.gz VUVBELMNAJRNDJ-BEFAXECRSA-N 1 1 395.334 3.445 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1C#C[Si](C)(C)C)C2 ZINC001164814979 720139152 /nfs/dbraw/zinc/13/91/52/720139152.db2.gz UXEFYJJZNRRREQ-GMAHTHKFSA-N 1 1 397.639 3.495 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1C#C[Si](C)(C)C)C2 ZINC001164814978 720140341 /nfs/dbraw/zinc/14/03/41/720140341.db2.gz UXEFYJJZNRRREQ-GGAORHGYSA-N 1 1 397.639 3.495 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001164819547 720166123 /nfs/dbraw/zinc/16/61/23/720166123.db2.gz XSUOITGAQGSHGH-REWPJTCUSA-N 1 1 380.536 3.017 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(Cl)c1C#N)C2 ZINC001164812121 720195317 /nfs/dbraw/zinc/19/53/17/720195317.db2.gz KUJOTVRMXQIJIZ-LIRRHRJNSA-N 1 1 395.334 3.445 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C#C[Si](C)(C)C)ccn1)C2 ZINC001164813316 720196154 /nfs/dbraw/zinc/19/61/54/720196154.db2.gz OIQRVJKWMASVCG-GGAORHGYSA-N 1 1 397.639 3.495 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C#C[Si](C)(C)C)ccn1)C2 ZINC001164813319 720197141 /nfs/dbraw/zinc/19/71/41/720197141.db2.gz OIQRVJKWMASVCG-GMAHTHKFSA-N 1 1 397.639 3.495 20 30 GGEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724868 720342405 /nfs/dbraw/zinc/34/24/05/720342405.db2.gz LAYIJVQSFBYVFT-IRXDYDNUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724868 720342411 /nfs/dbraw/zinc/34/24/11/720342411.db2.gz LAYIJVQSFBYVFT-IRXDYDNUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725338 720363940 /nfs/dbraw/zinc/36/39/40/720363940.db2.gz MMFOBSOGMHFGFL-DLBZAZTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725338 720363947 /nfs/dbraw/zinc/36/39/47/720363947.db2.gz MMFOBSOGMHFGFL-DLBZAZTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc(Cl)n1 ZINC001164724307 720377978 /nfs/dbraw/zinc/37/79/78/720377978.db2.gz JJSVKJKIARNLFZ-IAGOWNOFSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc(Cl)n1 ZINC001164724307 720377982 /nfs/dbraw/zinc/37/79/82/720377982.db2.gz JJSVKJKIARNLFZ-IAGOWNOFSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722602 720389819 /nfs/dbraw/zinc/38/98/19/720389819.db2.gz DQHJYJMUUHMGAJ-CVEARBPZSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722602 720389825 /nfs/dbraw/zinc/38/98/25/720389825.db2.gz DQHJYJMUUHMGAJ-CVEARBPZSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725363 720390900 /nfs/dbraw/zinc/39/09/00/720390900.db2.gz MYWMIFPZIOKSBZ-HOTGVXAUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164725363 720390906 /nfs/dbraw/zinc/39/09/06/720390906.db2.gz MYWMIFPZIOKSBZ-HOTGVXAUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726456 720391623 /nfs/dbraw/zinc/39/16/23/720391623.db2.gz OMWXDTOTTWNQQV-IAGOWNOFSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726456 720391631 /nfs/dbraw/zinc/39/16/31/720391631.db2.gz OMWXDTOTTWNQQV-IAGOWNOFSA-N 1 1 389.837 3.400 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C#N)cc(Cl)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832876 720504703 /nfs/dbraw/zinc/50/47/03/720504703.db2.gz BQTXLAZITIKLBA-OKZBNKHCSA-N 1 1 384.915 3.181 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1C#N ZINC001164837245 720511798 /nfs/dbraw/zinc/51/17/98/720511798.db2.gz OQZSFQIPLXEQHF-YQVWRLOYSA-N 1 1 398.942 3.489 20 30 GGEDMO Cc1cc(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1C ZINC001164836758 720532289 /nfs/dbraw/zinc/53/22/89/720532289.db2.gz KVGPIXYJNMWJGM-PWRODBHTSA-N 1 1 378.524 3.144 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c(C#N)c[nH]c4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840760 720555591 /nfs/dbraw/zinc/55/55/91/720555591.db2.gz SRQHHVAXYXFLPX-XKGZKEIXSA-N 1 1 389.507 3.009 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(Cl)cc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835942 720579105 /nfs/dbraw/zinc/57/91/05/720579105.db2.gz CXTSASFMHOQLGO-YTQUADARSA-N 1 1 384.915 3.181 20 30 GGEDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1CC#N ZINC001164836185 720616633 /nfs/dbraw/zinc/61/66/33/720616633.db2.gz FDDYOXCCYPIMTR-PWRODBHTSA-N 1 1 378.524 3.030 20 30 GGEDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1CC#N ZINC001164836186 720617064 /nfs/dbraw/zinc/61/70/64/720617064.db2.gz FDDYOXCCYPIMTR-QHAWAJNXSA-N 1 1 378.524 3.030 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(CC#N)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837213 720630038 /nfs/dbraw/zinc/63/00/38/720630038.db2.gz HPCOQAANDIMSPM-WSTZPKSXSA-N 1 1 398.942 3.375 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164843610 720673289 /nfs/dbraw/zinc/67/32/89/720673289.db2.gz 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N#Cc1cc(Cl)c(Cl)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788876 721410762 /nfs/dbraw/zinc/41/07/62/721410762.db2.gz SIPWSRXXSRMERW-TXEJJXNPSA-N 1 1 380.304 3.285 20 30 GGEDMO N#Cc1cc(Cl)c(Cl)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788876 721410763 /nfs/dbraw/zinc/41/07/63/721410763.db2.gz SIPWSRXXSRMERW-TXEJJXNPSA-N 1 1 380.304 3.285 20 30 GGEDMO C[Si](C)(C)C#Cc1ccnc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164781479 721436484 /nfs/dbraw/zinc/43/64/84/721436484.db2.gz DSYRNZJCPLITRH-HDICACEKSA-N 1 1 382.609 3.335 20 30 GGEDMO C[Si](C)(C)C#Cc1ccnc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164781479 721436481 /nfs/dbraw/zinc/43/64/81/721436481.db2.gz DSYRNZJCPLITRH-HDICACEKSA-N 1 1 382.609 3.335 20 30 GGEDMO N#Cc1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900517 721509911 /nfs/dbraw/zinc/50/99/11/721509911.db2.gz RRAGQBXDDHJIAB-HOCLYGCPSA-N 1 1 390.821 3.227 20 30 GGEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc3ccc(C#N)cc32)[C@@H]2CCCO[C@H]12 ZINC001164807791 721547208 /nfs/dbraw/zinc/54/72/08/721547208.db2.gz RHMALZIDQCKCRM-ZLNRFVROSA-N 1 1 399.498 3.370 20 30 GGEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164903110 721553622 /nfs/dbraw/zinc/55/36/22/721553622.db2.gz AMDBBXHRJTZRIA-PZJWPPBQSA-N 1 1 392.478 3.313 20 30 GGEDMO N#Cc1c2c(cnc1N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164911322 721567432 /nfs/dbraw/zinc/56/74/32/721567432.db2.gz YXQAHKWOGRSFOB-ICSRJNTNSA-N 1 1 392.478 3.313 20 30 GGEDMO Cc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164905525 721586824 /nfs/dbraw/zinc/58/68/24/721586824.db2.gz JQXVGXFOAWSEKY-HXUWFJFHSA-N 1 1 383.446 3.394 20 30 GGEDMO N#Cc1cc(F)cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906916 721691594 /nfs/dbraw/zinc/69/15/94/721691594.db2.gz PGWLNKRBWWHOOT-LJQANCHMSA-N 1 1 387.409 3.225 20 30 GGEDMO COc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164906103 721697794 /nfs/dbraw/zinc/69/77/94/721697794.db2.gz LENLUSOJERLXIY-HXUWFJFHSA-N 1 1 399.445 3.095 20 30 GGEDMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1C#N ZINC001164905483 721699381 /nfs/dbraw/zinc/69/93/81/721699381.db2.gz JNMZHPUQYKMLSS-HXUWFJFHSA-N 1 1 383.446 3.394 20 30 GGEDMO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1C#N ZINC001164906944 721713670 /nfs/dbraw/zinc/71/36/70/721713670.db2.gz PBSAILQYPYHKCH-FQEVSTJZSA-N 1 1 383.446 3.394 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc(Cl)c1C#N)C2 ZINC001164909996 721748729 /nfs/dbraw/zinc/74/87/29/721748729.db2.gz XCECPFMXMBPCGR-UHFFFAOYSA-N 1 1 394.866 3.184 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc(Cl)c1C#N)C2 ZINC001164909996 721748738 /nfs/dbraw/zinc/74/87/38/721748738.db2.gz XCECPFMXMBPCGR-UHFFFAOYSA-N 1 1 394.866 3.184 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ncc3C#N)C[C@@H]21 ZINC001165025497 721805486 /nfs/dbraw/zinc/80/54/86/721805486.db2.gz OQQALVAIDCERAF-FHLIZLRMSA-N 1 1 382.899 3.134 20 30 GGEDMO C=CCOc1cc(C)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025157 721813295 /nfs/dbraw/zinc/81/32/95/721813295.db2.gz LNDQTYYOVOCKPZ-JBACZVJFSA-N 1 1 393.535 3.482 20 30 GGEDMO COc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(F)cc1C#N ZINC001165023120 721822335 /nfs/dbraw/zinc/82/23/35/721822335.db2.gz HLZKZYAKKJGTQT-ZAAXVRCTSA-N 1 1 395.482 3.233 20 30 GGEDMO C=CC[NH+]1CCN(c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165032300 721871077 /nfs/dbraw/zinc/87/10/77/721871077.db2.gz NFITZRIWVFMMBE-UHFFFAOYSA-N 1 1 397.592 3.474 20 30 GGEDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932340 721889863 /nfs/dbraw/zinc/88/98/63/721889863.db2.gz IVPOVJPNVOTQEZ-ROUUACIJSA-N 1 1 387.890 3.114 20 30 GGEDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932340 721889865 /nfs/dbraw/zinc/88/98/65/721889865.db2.gz IVPOVJPNVOTQEZ-ROUUACIJSA-N 1 1 387.890 3.114 20 30 GGEDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932341 721890061 /nfs/dbraw/zinc/89/00/61/721890061.db2.gz IVPOVJPNVOTQEZ-ZWKOTPCHSA-N 1 1 387.890 3.114 20 30 GGEDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164932341 721890062 /nfs/dbraw/zinc/89/00/62/721890062.db2.gz IVPOVJPNVOTQEZ-ZWKOTPCHSA-N 1 1 387.890 3.114 20 30 GGEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c12 ZINC001164935699 721891023 /nfs/dbraw/zinc/89/10/23/721891023.db2.gz WTJZYWDFJMYLBI-MSOLQXFVSA-N 1 1 383.927 3.283 20 30 GGEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c12 ZINC001164935699 721891024 /nfs/dbraw/zinc/89/10/24/721891024.db2.gz WTJZYWDFJMYLBI-MSOLQXFVSA-N 1 1 383.927 3.283 20 30 GGEDMO CSc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C#N ZINC001165037081 721913121 /nfs/dbraw/zinc/91/31/21/721913121.db2.gz GRJZLUOZYWMZOU-KRWDZBQOSA-N 1 1 395.532 3.038 20 30 GGEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001165043965 721924896 /nfs/dbraw/zinc/92/48/96/721924896.db2.gz RSSDZYDFAMCYIN-KRWDZBQOSA-N 1 1 399.882 3.095 20 30 GGEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001165043458 721925057 /nfs/dbraw/zinc/92/50/57/721925057.db2.gz KHYGAKNSJDXUFY-QGZVFWFLSA-N 1 1 399.882 3.095 20 30 GGEDMO N#Cc1c(Cl)ccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164958904 722054099 /nfs/dbraw/zinc/05/40/99/722054099.db2.gz HRJORXJTGPOCIR-UHFFFAOYSA-N 1 1 397.910 3.121 20 30 GGEDMO N#Cc1cc(Cl)cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164964841 722054839 /nfs/dbraw/zinc/05/48/39/722054839.db2.gz YLLRFALPGHSFGT-UHFFFAOYSA-N 1 1 397.910 3.121 20 30 GGEDMO Cc1cc(Cl)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164979899 722102074 /nfs/dbraw/zinc/10/20/74/722102074.db2.gz IFZBYZGVKNUABA-IEBWSBKVSA-N 1 1 397.910 3.037 20 30 GGEDMO N#Cc1ccc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973860 722110984 /nfs/dbraw/zinc/11/09/84/722110984.db2.gz HNLFECKAVAJTMM-GMAHTHKFSA-N 1 1 399.498 3.229 20 30 GGEDMO Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)cc1C#N ZINC001164971110 722155618 /nfs/dbraw/zinc/15/56/18/722155618.db2.gz AQTVUQRVBQOHEE-XLIONFOSSA-N 1 1 397.910 3.037 20 30 GGEDMO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]c(C)ccc4CC#N)CC[C@@H]32)cs1 ZINC001164988629 722185462 /nfs/dbraw/zinc/18/54/62/722185462.db2.gz NCSJASATNYGGCC-PMACEKPBSA-N 1 1 397.548 3.091 20 30 GGEDMO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]c(C)ccc4CC#N)CC[C@H]32)cs1 ZINC001164988633 722185490 /nfs/dbraw/zinc/18/54/90/722185490.db2.gz NCSJASATNYGGCC-UXHICEINSA-N 1 1 397.548 3.091 20 30 GGEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819743523 945279754 /nfs/dbraw/zinc/27/97/54/945279754.db2.gz LBXQHHRKIOHQRZ-UHFFFAOYSA-N 1 1 394.454 3.331 20 30 GGEDMO C=CC[C@H]1[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCCC1(C)C ZINC001573329691 947424744 /nfs/dbraw/zinc/42/47/44/947424744.db2.gz NMBYTUAYLVEXCY-RBUKOAKNSA-N 1 1 394.523 3.429 20 30 GGEDMO C=CC[C@@H]1[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCCC1(C)C ZINC001573329688 947425797 /nfs/dbraw/zinc/42/57/97/947425797.db2.gz NMBYTUAYLVEXCY-OALUTQOASA-N 1 1 394.523 3.429 20 30 GGEDMO C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598472824 992054855 /nfs/dbraw/zinc/05/48/55/992054855.db2.gz UOHLOJRHLHYYMS-NRFANRHFSA-N 1 1 378.476 3.317 20 30 GGEDMO C=CCOc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1OC ZINC000014186798 212098452 /nfs/dbraw/zinc/09/84/52/212098452.db2.gz MKQLQUUTOLGHMA-UHFFFAOYSA-N 1 1 388.508 3.025 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012920885 221246012 /nfs/dbraw/zinc/24/60/12/221246012.db2.gz MHGRJFQCCMDUDZ-SJLPKXTDSA-N 1 1 376.460 3.236 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012920885 221246015 /nfs/dbraw/zinc/24/60/15/221246015.db2.gz MHGRJFQCCMDUDZ-SJLPKXTDSA-N 1 1 376.460 3.236 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012920890 221246275 /nfs/dbraw/zinc/24/62/75/221246275.db2.gz MHGRJFQCCMDUDZ-FUHWJXTLSA-N 1 1 376.460 3.236 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012920890 221246278 /nfs/dbraw/zinc/24/62/78/221246278.db2.gz MHGRJFQCCMDUDZ-FUHWJXTLSA-N 1 1 376.460 3.236 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C[C@H]2CCOC2)c1C#N ZINC000079020427 222299669 /nfs/dbraw/zinc/29/96/69/222299669.db2.gz FDVOUGZHIWEEHM-MRXNPFEDSA-N 1 1 384.455 3.012 20 30 GGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000095466196 518774833 /nfs/dbraw/zinc/77/48/33/518774833.db2.gz KIRPWLLOXZDOJX-UHFFFAOYSA-N 1 1 395.385 3.366 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1)C1CC1 ZINC000079093022 525134824 /nfs/dbraw/zinc/13/48/24/525134824.db2.gz DXYZCBVSFQNDGQ-PZJWPPBQSA-N 1 1 383.517 3.092 20 30 GGEDMO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1)C1CC1 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379.913 3.137 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCn2cccn2)cc1OC ZINC000125289218 564509446 /nfs/dbraw/zinc/50/94/46/564509446.db2.gz LDEZSMZXROHNMS-UHFFFAOYSA-N 1 1 380.286 3.351 20 30 GGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000125536110 564517471 /nfs/dbraw/zinc/51/74/71/564517471.db2.gz BVUPIWBIUODWBV-GOSISDBHSA-N 1 1 375.266 3.365 20 30 GGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125633287 564520965 /nfs/dbraw/zinc/52/09/65/564520965.db2.gz CACYBNGJPKRMFQ-ROUUACIJSA-N 1 1 375.266 3.020 20 30 GGEDMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000052580475 564574344 /nfs/dbraw/zinc/57/43/44/564574344.db2.gz XJFOIKVRVVZMQJ-UHFFFAOYSA-N 1 1 392.322 3.473 20 30 GGEDMO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000052580475 564574347 /nfs/dbraw/zinc/57/43/47/564574347.db2.gz XJFOIKVRVVZMQJ-UHFFFAOYSA-N 1 1 392.322 3.473 20 30 GGEDMO C[N@H+](Cc1csc(Br)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000053358257 564586005 /nfs/dbraw/zinc/58/60/05/564586005.db2.gz GAIODLXAVPRTOE-CQSZACIVSA-N 1 1 381.295 3.254 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](CC(N)=O)C2CCCC2)cc1OC ZINC000130088688 564669995 /nfs/dbraw/zinc/66/99/95/564669995.db2.gz KDDXKFAEOHOAEQ-UHFFFAOYSA-N 1 1 397.313 3.252 20 30 GGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000066424108 564765382 /nfs/dbraw/zinc/76/53/82/564765382.db2.gz LVYXNNFOUSDENA-YPMHNXCESA-N 1 1 375.694 3.324 20 30 GGEDMO CC[N@H+](C[C@H](C)C#N)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000066424108 564765387 /nfs/dbraw/zinc/76/53/87/564765387.db2.gz LVYXNNFOUSDENA-YPMHNXCESA-N 1 1 375.694 3.324 20 30 GGEDMO Cc1cc(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nc(C)[nH+]1 ZINC000133882116 564788121 /nfs/dbraw/zinc/78/81/21/564788121.db2.gz TUMVFKLPVALBIC-KRWDZBQOSA-N 1 1 386.297 3.243 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134286742 564799272 /nfs/dbraw/zinc/79/92/72/564799272.db2.gz FUGCRLXTQPQZPQ-UHFFFAOYSA-N 1 1 377.897 3.486 20 30 GGEDMO N#Cc1ccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000134600963 564809332 /nfs/dbraw/zinc/80/93/32/564809332.db2.gz ZLABEVFUMAEKFH-QGZVFWFLSA-N 1 1 386.293 3.152 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000068845899 564828763 /nfs/dbraw/zinc/82/87/63/564828763.db2.gz AANUJZYZRWWLHR-QGZVFWFLSA-N 1 1 375.266 3.192 20 30 GGEDMO CC(C)(CCC#N)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000092783818 564881015 /nfs/dbraw/zinc/88/10/15/564881015.db2.gz WWNGOJZCDRLOAS-UHFFFAOYSA-N 1 1 389.974 3.428 20 30 GGEDMO CC(C)(CCC#N)C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000092783818 564881016 /nfs/dbraw/zinc/88/10/16/564881016.db2.gz WWNGOJZCDRLOAS-UHFFFAOYSA-N 1 1 389.974 3.428 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1OC ZINC000093808896 564890452 /nfs/dbraw/zinc/89/04/52/564890452.db2.gz JGQPTNHOGNCWJK-CYBMUJFWSA-N 1 1 397.313 3.110 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1OC ZINC000093808896 564890455 /nfs/dbraw/zinc/89/04/55/564890455.db2.gz JGQPTNHOGNCWJK-CYBMUJFWSA-N 1 1 397.313 3.110 20 30 GGEDMO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[NH+](C)C)cc1 ZINC000109390090 565024649 /nfs/dbraw/zinc/02/46/49/565024649.db2.gz ZUTJFFINPIYWSS-SFHVURJKSA-N 1 1 377.897 3.101 20 30 GGEDMO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000156162386 565075563 /nfs/dbraw/zinc/07/55/63/565075563.db2.gz FQMACPOZNQVOGI-HNNXBMFYSA-N 1 1 395.937 3.389 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000183573140 565079795 /nfs/dbraw/zinc/07/97/95/565079795.db2.gz JOYWVYFIFVVWSJ-HNNXBMFYSA-N 1 1 381.885 3.166 20 30 GGEDMO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000183829929 565097412 /nfs/dbraw/zinc/09/74/12/565097412.db2.gz WIZUROLFSMCKEU-AWEZNQCLSA-N 1 1 394.313 3.053 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000294795013 565229359 /nfs/dbraw/zinc/22/93/59/565229359.db2.gz BSXAHCARXIVCBN-UGSOOPFHSA-N 1 1 388.309 3.410 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000294794998 565229369 /nfs/dbraw/zinc/22/93/69/565229369.db2.gz BSXAHCARXIVCBN-FZKQIMNGSA-N 1 1 388.309 3.410 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000295629900 565276848 /nfs/dbraw/zinc/27/68/48/565276848.db2.gz OXZGSLLCYSUESR-GOEBONIOSA-N 1 1 384.277 3.102 20 30 GGEDMO N#Cc1cc(Br)cnc1NCc1ccccc1C[NH+]1CCOCC1 ZINC000296540121 565321590 /nfs/dbraw/zinc/32/15/90/565321590.db2.gz NTKYHCNZCXKMCB-UHFFFAOYSA-N 1 1 387.281 3.160 20 30 GGEDMO C[N@H+](C[C@H](O)c1cccc(Br)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000298462997 565415035 /nfs/dbraw/zinc/41/50/35/565415035.db2.gz RSAYIPGWQKXXAT-MSOLQXFVSA-N 1 1 375.266 3.020 20 30 GGEDMO C=CCOc1c(Br)cc(C[NH+]2CC([C@H]3CCOC3)C2)cc1OC ZINC000376021365 565419287 /nfs/dbraw/zinc/41/92/87/565419287.db2.gz LLYGXYVUMUUGTD-AWEZNQCLSA-N 1 1 382.298 3.491 20 30 GGEDMO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cn1 ZINC000298698175 565426243 /nfs/dbraw/zinc/42/62/43/565426243.db2.gz ZSEUHDWFLKHTON-IINYFYTJSA-N 1 1 391.294 3.233 20 30 GGEDMO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Br)cn1 ZINC000298698179 565426623 /nfs/dbraw/zinc/42/66/23/565426623.db2.gz ZSEUHDWFLKHTON-QMTHXVAHSA-N 1 1 391.294 3.233 20 30 GGEDMO CCN1CC[NH+](Cc2ccccc2CNc2snc(Cl)c2C#N)CC1 ZINC000301567668 565496433 /nfs/dbraw/zinc/49/64/33/565496433.db2.gz ZOOFHCCLLNQEBD-UHFFFAOYSA-N 1 1 375.929 3.418 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000189984825 565500539 /nfs/dbraw/zinc/50/05/39/565500539.db2.gz QEZQRNXMBQFZPZ-AWEZNQCLSA-N 1 1 375.519 3.353 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(Br)c1 ZINC000277766541 565518615 /nfs/dbraw/zinc/51/86/15/565518615.db2.gz MRRKISVOEUFQOK-JSGCOSHPSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(Br)c1 ZINC000277766541 565518620 /nfs/dbraw/zinc/51/86/20/565518620.db2.gz MRRKISVOEUFQOK-JSGCOSHPSA-N 1 1 377.204 3.456 20 30 GGEDMO N#Cc1cc(Br)ccc1NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000302106433 565530419 /nfs/dbraw/zinc/53/04/19/565530419.db2.gz XTMJKKBFKYEFOP-ZWKOTPCHSA-N 1 1 386.293 3.368 20 30 GGEDMO N#Cc1cc(Br)ccc1NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000302106431 565530809 /nfs/dbraw/zinc/53/08/09/565530809.db2.gz XTMJKKBFKYEFOP-QZTJIDSGSA-N 1 1 386.293 3.368 20 30 GGEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(C#N)ccc1Br ZINC000278371860 565554229 /nfs/dbraw/zinc/55/42/29/565554229.db2.gz CBGOIDTZZDALQL-CQSZACIVSA-N 1 1 378.314 3.006 20 30 GGEDMO C[N@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000390616745 565557404 /nfs/dbraw/zinc/55/74/04/565557404.db2.gz YICHYUJWPSPVAX-KRWDZBQOSA-N 1 1 375.266 3.192 20 30 GGEDMO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cc2c(cc1Br)OCCO2 ZINC000190811108 565561019 /nfs/dbraw/zinc/56/10/19/565561019.db2.gz JJISTHCLEFBBBV-LLVKDONJSA-N 1 1 376.254 3.281 20 30 GGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752948 565576694 /nfs/dbraw/zinc/57/66/94/565576694.db2.gz XEKMXGNEGZTWFG-VNHYZAJKSA-N 1 1 377.286 3.187 20 30 GGEDMO C[C@@H]1CC[C@H](C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)O1 ZINC000191030095 565578303 /nfs/dbraw/zinc/57/83/03/565578303.db2.gz XAZMBUICQZLCHQ-OLMNPRSZSA-N 1 1 378.314 3.199 20 30 GGEDMO C[C@@H]1CC[C@@H](C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)O1 ZINC000191030125 565578514 /nfs/dbraw/zinc/57/85/14/565578514.db2.gz XAZMBUICQZLCHQ-JLSDUUJJSA-N 1 1 378.314 3.199 20 30 GGEDMO N#CCC[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)CC1CC1 ZINC000191650296 565619120 /nfs/dbraw/zinc/61/91/20/565619120.db2.gz GBCBSFLOEBSUSR-UHFFFAOYSA-N 1 1 378.314 3.411 20 30 GGEDMO N#CCC[N@H+](Cc1ccc(Br)cc1N1CCOCC1)CC1CC1 ZINC000191650296 565619127 /nfs/dbraw/zinc/61/91/27/565619127.db2.gz GBCBSFLOEBSUSR-UHFFFAOYSA-N 1 1 378.314 3.411 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1OCC ZINC000191723230 565625303 /nfs/dbraw/zinc/62/53/03/565625303.db2.gz VDGVGTMJBGIZFY-HIFRSBDPSA-N 1 1 384.314 3.473 20 30 GGEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191779476 565630718 /nfs/dbraw/zinc/63/07/18/565630718.db2.gz RECMVLXQAYRAOE-HNNXBMFYSA-N 1 1 378.314 3.449 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191781116 565632030 /nfs/dbraw/zinc/63/20/30/565632030.db2.gz NCFXDXNHVPNXAJ-OAHLLOKOSA-N 1 1 378.314 3.449 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191781116 565632033 /nfs/dbraw/zinc/63/20/33/565632033.db2.gz NCFXDXNHVPNXAJ-OAHLLOKOSA-N 1 1 378.314 3.449 20 30 GGEDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(C#N)ccc1Br)CC2 ZINC000191794323 565632942 /nfs/dbraw/zinc/63/29/42/565632942.db2.gz IKFQIESVCVDBCI-DLBZAZTESA-N 1 1 379.298 3.073 20 30 GGEDMO CC(C)(C[NH2+]Cc1ccc(C#N)o1)S(=O)(=O)c1ccc(Br)cc1 ZINC000174408166 565633289 /nfs/dbraw/zinc/63/32/89/565633289.db2.gz UHKQHRVNMMUNDD-UHFFFAOYSA-N 1 1 397.294 3.256 20 30 GGEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(N3CCCCC3=O)CC2)c1 ZINC000191808813 565634472 /nfs/dbraw/zinc/63/44/72/565634472.db2.gz XGCBZRGTYMOIBN-UHFFFAOYSA-N 1 1 376.298 3.298 20 30 GGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000328670533 565638042 /nfs/dbraw/zinc/63/80/42/565638042.db2.gz MSQRCCSTOJIOEI-NKZPBKNFSA-N 1 1 398.276 3.008 20 30 GGEDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc2c(c(Br)c1)OCO2 ZINC000329176894 565657893 /nfs/dbraw/zinc/65/78/93/565657893.db2.gz MYCLANISMJJBLD-LBPRGKRZSA-N 1 1 381.270 3.499 20 30 GGEDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc2c(c(Br)c1)OCO2 ZINC000329176893 565658152 /nfs/dbraw/zinc/65/81/52/565658152.db2.gz MYCLANISMJJBLD-GFCCVEGCSA-N 1 1 381.270 3.499 20 30 GGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000329282048 565661706 /nfs/dbraw/zinc/66/17/06/565661706.db2.gz MTFLJYCCEJDGLX-LBPRGKRZSA-N 1 1 380.290 3.441 20 30 GGEDMO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)cc1Br ZINC000329556590 565671807 /nfs/dbraw/zinc/67/18/07/565671807.db2.gz HLDHQIRZOWGLOA-XNRPHZJLSA-N 1 1 383.286 3.150 20 30 GGEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccccc3Br)C2=O)cc1 ZINC000192245233 565674111 /nfs/dbraw/zinc/67/41/11/565674111.db2.gz ZEIPJBXZHCEMOF-GOSISDBHSA-N 1 1 384.277 3.211 20 30 GGEDMO CC[N@H+]1CCC[C@H](CNC(=O)NCc2cc(Br)cc3c2OCC3)C1 ZINC000329633979 565674518 /nfs/dbraw/zinc/67/45/18/565674518.db2.gz STTFXVZBWBOEAR-CYBMUJFWSA-N 1 1 396.329 3.120 20 30 GGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccccc1Br ZINC000410312586 565675729 /nfs/dbraw/zinc/67/57/29/565675729.db2.gz DZXOKFGXDMTXNQ-UHFFFAOYSA-N 1 1 394.313 3.420 20 30 GGEDMO [O-]C(N[C@H]1COc2c1ccc(Cl)c2Cl)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329916021 565685695 /nfs/dbraw/zinc/68/56/95/565685695.db2.gz YRMMQPZHTZDZKQ-GWCFXTLKSA-N 1 1 381.263 3.390 20 30 GGEDMO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000330097852 565691943 /nfs/dbraw/zinc/69/19/43/565691943.db2.gz BFVQYDRQKJXSNT-AAEUAGOBSA-N 1 1 381.274 3.263 20 30 GGEDMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000330182421 565696813 /nfs/dbraw/zinc/69/68/13/565696813.db2.gz OYTCURWUCTWYGY-HUUCEWRRSA-N 1 1 383.901 3.408 20 30 GGEDMO O=C(NCc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330203599 565697093 /nfs/dbraw/zinc/69/70/93/565697093.db2.gz AYGLWGMVLUNGJA-AWEZNQCLSA-N 1 1 381.270 3.304 20 30 GGEDMO Cc1cc(Br)c2c(c1)CN(C([O-])=[NH+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330197562 565697161 /nfs/dbraw/zinc/69/71/61/565697161.db2.gz RXHFNZMQYNOBDP-CQSZACIVSA-N 1 1 389.297 3.241 20 30 GGEDMO Cc1cc(Br)c2c(c1)CN(C([O-])=[NH+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330197561 565697589 /nfs/dbraw/zinc/69/75/89/565697589.db2.gz RXHFNZMQYNOBDP-AWEZNQCLSA-N 1 1 389.297 3.241 20 30 GGEDMO C[NH+](C)C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000330435576 565706167 /nfs/dbraw/zinc/70/61/67/565706167.db2.gz MFOLHIRHKKBUBW-KRWDZBQOSA-N 1 1 383.945 3.336 20 30 GGEDMO C[NH+](C)C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000330435577 565706228 /nfs/dbraw/zinc/70/62/28/565706228.db2.gz MFOLHIRHKKBUBW-QGZVFWFLSA-N 1 1 383.945 3.336 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)[C@@H](C)C1 ZINC000330556185 565711844 /nfs/dbraw/zinc/71/18/44/565711844.db2.gz GXDLQLBRHFUBAD-WDEREUQCSA-N 1 1 390.709 3.035 20 30 GGEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cc(Br)ccc2F)C1 ZINC000330760433 565721588 /nfs/dbraw/zinc/72/15/88/565721588.db2.gz ZQCQVBOQOWPNED-ZDUSSCGKSA-N 1 1 388.281 3.271 20 30 GGEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(I)c(O)c1 ZINC000330880739 565727756 /nfs/dbraw/zinc/72/77/56/565727756.db2.gz YOPRTZLNSHJTHB-GFCCVEGCSA-N 1 1 388.249 3.176 20 30 GGEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cncs2)CC1 ZINC000411415025 565729054 /nfs/dbraw/zinc/72/90/54/565729054.db2.gz BFIMARFPPHNAFP-KRWDZBQOSA-N 1 1 391.338 3.331 20 30 GGEDMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@H]1CC ZINC000330979361 565733506 /nfs/dbraw/zinc/73/35/06/565733506.db2.gz LZRPSDPQYGTJCF-GFCCVEGCSA-N 1 1 375.300 3.367 20 30 GGEDMO CC(C)[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000331107615 565738579 /nfs/dbraw/zinc/73/85/79/565738579.db2.gz AMAQHSKLWUARLV-WFASDCNBSA-N 1 1 386.323 3.485 20 30 GGEDMO COC(=O)c1c(Br)ccc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1C ZINC000331098815 565738877 /nfs/dbraw/zinc/73/88/77/565738877.db2.gz DWNWVCHPAAXRHI-VXGBXAGGSA-N 1 1 398.301 3.114 20 30 GGEDMO COc1cc(OC)c(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1Br ZINC000331157895 565743917 /nfs/dbraw/zinc/74/39/17/565743917.db2.gz DMCPPIWMXGSRPA-MNOVXSKESA-N 1 1 386.290 3.036 20 30 GGEDMO Cc1c(Cl)cc(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1Cl ZINC000331234685 565748197 /nfs/dbraw/zinc/74/81/97/565748197.db2.gz GPMRIHRQTQRFPN-UHFFFAOYSA-N 1 1 387.311 3.180 20 30 GGEDMO COc1cc(Cl)c(Cl)cc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331273421 565750836 /nfs/dbraw/zinc/75/08/36/565750836.db2.gz ONNHCFLCOVVWSD-UHFFFAOYSA-N 1 1 389.327 3.354 20 30 GGEDMO COc1c(Cl)cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1Cl ZINC000331293327 565752846 /nfs/dbraw/zinc/75/28/46/565752846.db2.gz LTHFGOJDVDGYGA-NSHDSACASA-N 1 1 390.311 3.325 20 30 GGEDMO Cc1cccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1Br ZINC000331294573 565753177 /nfs/dbraw/zinc/75/31/77/565753177.db2.gz MSCAILMKHILYMS-CYBMUJFWSA-N 1 1 384.318 3.080 20 30 GGEDMO Cc1nc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Br)s1 ZINC000331361351 565756424 /nfs/dbraw/zinc/75/64/24/565756424.db2.gz YXUQIOHLAIMAAX-JTQLQIEISA-N 1 1 389.319 3.156 20 30 GGEDMO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000331812723 565785963 /nfs/dbraw/zinc/78/59/63/565785963.db2.gz LNOAIQVGVADFJJ-UHFFFAOYSA-N 1 1 377.286 3.096 20 30 GGEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)C1 ZINC000331901283 565791143 /nfs/dbraw/zinc/79/11/43/565791143.db2.gz LMWDHOQCWGHHPQ-DZGCQCFKSA-N 1 1 382.291 3.209 20 30 GGEDMO CC[C@](C)(C#N)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412969051 565825872 /nfs/dbraw/zinc/82/58/72/565825872.db2.gz IKOQHFACUUZMDJ-GOSISDBHSA-N 1 1 378.314 3.470 20 30 GGEDMO C=CCn1c(SCC[N@H+]2CCCOCC2)nc2sc(C)c(C)c2c1=O ZINC000412981701 565827149 /nfs/dbraw/zinc/82/71/49/565827149.db2.gz WGFWKFWGQHPFQH-UHFFFAOYSA-N 1 1 379.551 3.075 20 30 GGEDMO N#CCCCCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413245655 565842020 /nfs/dbraw/zinc/84/20/20/565842020.db2.gz GIIYBYMBTRAUBF-UHFFFAOYSA-N 1 1 393.329 3.407 20 30 GGEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000332647357 565849795 /nfs/dbraw/zinc/84/97/95/565849795.db2.gz SUNQUXXZFWZXCU-GJZGRUSLSA-N 1 1 377.286 3.411 20 30 GGEDMO N#CCCCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413444478 565852365 /nfs/dbraw/zinc/85/23/65/565852365.db2.gz SAEHBYOMNUWGRD-UHFFFAOYSA-N 1 1 379.302 3.016 20 30 GGEDMO C[C@@H](C#N)CN(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413869165 565878423 /nfs/dbraw/zinc/87/84/23/565878423.db2.gz AGEUIOKHMKBWEM-AWEZNQCLSA-N 1 1 393.329 3.215 20 30 GGEDMO Cc1ccc(-c2nn(C[C@H](O)C[N@H+](C)CCC#N)cc2Br)cc1C ZINC000414163724 565900353 /nfs/dbraw/zinc/90/03/53/565900353.db2.gz NPDAAWXBHWJXQD-MRXNPFEDSA-N 1 1 391.313 3.136 20 30 GGEDMO Cc1ccc(-c2nn(C[C@H](O)C[N@@H+](C)CCC#N)cc2Br)cc1C ZINC000414163724 565900358 /nfs/dbraw/zinc/90/03/58/565900358.db2.gz NPDAAWXBHWJXQD-MRXNPFEDSA-N 1 1 391.313 3.136 20 30 GGEDMO C[N@H+](CCC#N)C[C@@H](O)Cn1cc(Br)c(-c2ccc(Cl)cc2)n1 ZINC000414161811 565900586 /nfs/dbraw/zinc/90/05/86/565900586.db2.gz KSZXOKRNGINIJY-CQSZACIVSA-N 1 1 397.704 3.172 20 30 GGEDMO C[N@@H+](CCC#N)C[C@@H](O)Cn1cc(Br)c(-c2ccc(Cl)cc2)n1 ZINC000414161811 565900589 /nfs/dbraw/zinc/90/05/89/565900589.db2.gz KSZXOKRNGINIJY-CQSZACIVSA-N 1 1 397.704 3.172 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](CC(N)=O)C(C)C)cc1OCC ZINC000179657539 565997649 /nfs/dbraw/zinc/99/76/49/565997649.db2.gz NHHLJAIGSMGBAX-UHFFFAOYSA-N 1 1 385.302 3.108 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](CC(N)=O)C(C)C)cc1OCC ZINC000179657539 565997653 /nfs/dbraw/zinc/99/76/53/565997653.db2.gz NHHLJAIGSMGBAX-UHFFFAOYSA-N 1 1 385.302 3.108 20 30 GGEDMO [NH3+]CC(F)(F)CNC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000415537607 566005899 /nfs/dbraw/zinc/00/58/99/566005899.db2.gz HDLWGILFFRGETM-VIFPVBQESA-N 1 1 379.251 3.202 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c(Br)c1 ZINC000364448510 566052946 /nfs/dbraw/zinc/05/29/46/566052946.db2.gz RAZQKNKUSKPSJU-LJQANCHMSA-N 1 1 382.261 3.417 20 30 GGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1Cl ZINC000365042944 566079967 /nfs/dbraw/zinc/07/99/67/566079967.db2.gz PPAQHRHLESSFFO-UHFFFAOYSA-N 1 1 378.263 3.337 20 30 GGEDMO Cn1cc(C[N@@H+](C)CCn2cc(Br)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000288910348 566096527 /nfs/dbraw/zinc/09/65/27/566096527.db2.gz UAWFVHJZACHNOU-UHFFFAOYSA-N 1 1 399.296 3.050 20 30 GGEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000181436536 566140590 /nfs/dbraw/zinc/14/05/90/566140590.db2.gz BTUQXBJGYQBMNB-QZTJIDSGSA-N 1 1 378.314 3.200 20 30 GGEDMO C=CC[N@@H+](CCC(=O)N(C)CCC#N)Cc1cc(Br)ccc1F ZINC000181554400 566149105 /nfs/dbraw/zinc/14/91/05/566149105.db2.gz ILCDNUFCQOKOOT-UHFFFAOYSA-N 1 1 382.277 3.338 20 30 GGEDMO C=CC[N@H+](CCC(=O)N(C)CCC#N)Cc1cc(Br)ccc1F ZINC000181554400 566149108 /nfs/dbraw/zinc/14/91/08/566149108.db2.gz ILCDNUFCQOKOOT-UHFFFAOYSA-N 1 1 382.277 3.338 20 30 GGEDMO COc1cc(C[NH2+]CC2(C#N)CCC2)cc(I)c1OC ZINC000418137050 566199868 /nfs/dbraw/zinc/19/98/68/566199868.db2.gz CWGPTXBIMAYCEK-UHFFFAOYSA-N 1 1 386.233 3.092 20 30 GGEDMO N#C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1cccc(Br)c1 ZINC000291467704 566220901 /nfs/dbraw/zinc/22/09/01/566220901.db2.gz IVSLSTHLRNINMX-MRXNPFEDSA-N 1 1 389.253 3.028 20 30 GGEDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000367966400 566225448 /nfs/dbraw/zinc/22/54/48/566225448.db2.gz ZDEYVSVIBNNNPN-SJLPKXTDSA-N 1 1 389.297 3.142 20 30 GGEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183018480 566235042 /nfs/dbraw/zinc/23/50/42/566235042.db2.gz PZVXBKNVMHZKBY-ZFWWWQNUSA-N 1 1 381.929 3.143 20 30 GGEDMO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183024555 566235143 /nfs/dbraw/zinc/23/51/43/566235143.db2.gz GGBAUDXVXQNUJA-DZGCQCFKSA-N 1 1 381.929 3.143 20 30 GGEDMO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000508938114 566251737 /nfs/dbraw/zinc/25/17/37/566251737.db2.gz GVXJSIKKPDRFFV-INIZCTEOSA-N 1 1 388.313 3.178 20 30 GGEDMO C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COc1ccccc1C#N ZINC000599271572 566252632 /nfs/dbraw/zinc/25/26/32/566252632.db2.gz HCOGCFDJHASGSS-MRXNPFEDSA-N 1 1 393.256 3.332 20 30 GGEDMO C[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COc1ccccc1C#N ZINC000599271572 566252635 /nfs/dbraw/zinc/25/26/35/566252635.db2.gz HCOGCFDJHASGSS-MRXNPFEDSA-N 1 1 393.256 3.332 20 30 GGEDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC(=O)N(CC)CCC#N ZINC000481810425 566254083 /nfs/dbraw/zinc/25/40/83/566254083.db2.gz DXGJBSAYAKZOEM-MRXNPFEDSA-N 1 1 380.330 3.464 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)cc1OC ZINC000668739613 566262616 /nfs/dbraw/zinc/26/26/16/566262616.db2.gz NSUMFFKMIXKVCO-ACJLOTCBSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)cc1OC ZINC000668739613 566262623 /nfs/dbraw/zinc/26/26/23/566262623.db2.gz NSUMFFKMIXKVCO-ACJLOTCBSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)cc1OC ZINC000668739615 566263321 /nfs/dbraw/zinc/26/33/21/566263321.db2.gz NSUMFFKMIXKVCO-FZKQIMNGSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)cc1OC ZINC000668739615 566263326 /nfs/dbraw/zinc/26/33/26/566263326.db2.gz NSUMFFKMIXKVCO-FZKQIMNGSA-N 1 1 384.314 3.473 20 30 GGEDMO N#CC1(NC(=O)C[N@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)CCC1 ZINC000599526689 566272634 /nfs/dbraw/zinc/27/26/34/566272634.db2.gz PLANKBLYYDGTGI-OAHLLOKOSA-N 1 1 394.338 3.178 20 30 GGEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)CCC1 ZINC000599526689 566272639 /nfs/dbraw/zinc/27/26/39/566272639.db2.gz PLANKBLYYDGTGI-OAHLLOKOSA-N 1 1 394.338 3.178 20 30 GGEDMO C=C(C)CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000509367922 566293954 /nfs/dbraw/zinc/29/39/54/566293954.db2.gz XXOXFXMSWDZQSU-UHFFFAOYSA-N 1 1 393.372 3.173 20 30 GGEDMO C=C(C)CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000509367922 566293961 /nfs/dbraw/zinc/29/39/61/566293961.db2.gz XXOXFXMSWDZQSU-UHFFFAOYSA-N 1 1 393.372 3.173 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000420970362 566334494 /nfs/dbraw/zinc/33/44/94/566334494.db2.gz IKEGCYQLKOYDGX-LPHOPBHVSA-N 1 1 390.325 3.264 20 30 GGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000420970362 566334499 /nfs/dbraw/zinc/33/44/99/566334499.db2.gz IKEGCYQLKOYDGX-LPHOPBHVSA-N 1 1 390.325 3.264 20 30 GGEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)NC1(C#N)CCCCC1 ZINC000482992378 566350721 /nfs/dbraw/zinc/35/07/21/566350721.db2.gz UDPXTMRZCKXDTB-QWHCGFSZSA-N 1 1 379.302 3.226 20 30 GGEDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(Br)cn1 ZINC000482992377 566350771 /nfs/dbraw/zinc/35/07/71/566350771.db2.gz UDPXTMRZCKXDTB-OLZOCXBDSA-N 1 1 379.302 3.226 20 30 GGEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)C1=O ZINC000625699283 566352765 /nfs/dbraw/zinc/35/27/65/566352765.db2.gz CWINLOHIUPDIGF-HOTGVXAUSA-N 1 1 381.339 3.402 20 30 GGEDMO CC#CCCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000483170286 566362875 /nfs/dbraw/zinc/36/28/75/566362875.db2.gz FLOXJPPWAGYRFZ-UHFFFAOYSA-N 1 1 378.314 3.126 20 30 GGEDMO COc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)cc1C#N ZINC000483507281 566386929 /nfs/dbraw/zinc/38/69/29/566386929.db2.gz XOXUQDPYWBVHSN-UHFFFAOYSA-N 1 1 381.295 3.385 20 30 GGEDMO COc1ccc(C[N@@H+](CCO)Cc2ccc(Br)s2)cc1C#N ZINC000483507281 566386934 /nfs/dbraw/zinc/38/69/34/566386934.db2.gz XOXUQDPYWBVHSN-UHFFFAOYSA-N 1 1 381.295 3.385 20 30 GGEDMO Cn1ncc(Br)c1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000601144260 566392096 /nfs/dbraw/zinc/39/20/96/566392096.db2.gz ROKHRIMVUKPZFW-UHFFFAOYSA-N 1 1 399.296 3.250 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000576952524 566392925 /nfs/dbraw/zinc/39/29/25/566392925.db2.gz LWFZWHMMBXRBDQ-ZDUSSCGKSA-N 1 1 382.302 3.477 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H](O)C(F)(F)F)cc1OC ZINC000576983238 566394504 /nfs/dbraw/zinc/39/45/04/566394504.db2.gz AYOZNXDWRDEPDC-ZDUSSCGKSA-N 1 1 398.219 3.378 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cc1OC ZINC000576983238 566394511 /nfs/dbraw/zinc/39/45/11/566394511.db2.gz AYOZNXDWRDEPDC-ZDUSSCGKSA-N 1 1 398.219 3.378 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1OC ZINC000576983236 566395079 /nfs/dbraw/zinc/39/50/79/566395079.db2.gz AYOZNXDWRDEPDC-CYBMUJFWSA-N 1 1 398.219 3.378 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cc1OC ZINC000576983236 566395089 /nfs/dbraw/zinc/39/50/89/566395089.db2.gz AYOZNXDWRDEPDC-CYBMUJFWSA-N 1 1 398.219 3.378 20 30 GGEDMO C[N@@H+](CCc1cccc(Br)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000463426823 566410977 /nfs/dbraw/zinc/41/09/77/566410977.db2.gz RDYYPNLKFBRRFZ-GOSISDBHSA-N 1 1 389.293 3.235 20 30 GGEDMO CC(C)(C#N)CCS(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000577442826 566436092 /nfs/dbraw/zinc/43/60/92/566436092.db2.gz CYSNLVKVAJVXEP-QGZVFWFLSA-N 1 1 383.945 3.336 20 30 GGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000602445655 566471674 /nfs/dbraw/zinc/47/16/74/566471674.db2.gz SCNOQABKZALMCA-KBPBESRZSA-N 1 1 379.302 3.434 20 30 GGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000602445660 566472011 /nfs/dbraw/zinc/47/20/11/566472011.db2.gz SCNOQABKZALMCA-ZIAGYGMSSA-N 1 1 379.302 3.434 20 30 GGEDMO N#Cc1ccc(C[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C2CC2)cc1 ZINC000602442597 566472070 /nfs/dbraw/zinc/47/20/70/566472070.db2.gz ZRKGAZYWEXBOEE-UHFFFAOYSA-N 1 1 375.881 3.024 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511681054 566481943 /nfs/dbraw/zinc/48/19/43/566481943.db2.gz KJSBMVQDFRSNGX-CHWSQXEVSA-N 1 1 377.204 3.313 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511681054 566481947 /nfs/dbraw/zinc/48/19/47/566481947.db2.gz KJSBMVQDFRSNGX-CHWSQXEVSA-N 1 1 377.204 3.313 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511681057 566482014 /nfs/dbraw/zinc/48/20/14/566482014.db2.gz KJSBMVQDFRSNGX-QWHCGFSZSA-N 1 1 377.204 3.313 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511681057 566482017 /nfs/dbraw/zinc/48/20/17/566482017.db2.gz KJSBMVQDFRSNGX-QWHCGFSZSA-N 1 1 377.204 3.313 20 30 GGEDMO N#Cc1cccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1Br ZINC000448674528 566485887 /nfs/dbraw/zinc/48/58/87/566485887.db2.gz HGSDGBGSEZQPFD-UHFFFAOYSA-N 1 1 398.304 3.499 20 30 GGEDMO N#Cc1cccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1Br ZINC000448771484 566496414 /nfs/dbraw/zinc/49/64/14/566496414.db2.gz APUVBJKSJDNZPF-UHFFFAOYSA-N 1 1 390.306 3.170 20 30 GGEDMO N#Cc1cccc(C(=O)NCC[N@H+]2CCc3sccc3C2)c1Br ZINC000448771484 566496417 /nfs/dbraw/zinc/49/64/17/566496417.db2.gz APUVBJKSJDNZPF-UHFFFAOYSA-N 1 1 390.306 3.170 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000448775994 566496800 /nfs/dbraw/zinc/49/68/00/566496800.db2.gz VDSUZXBIINLIBQ-UHFFFAOYSA-N 1 1 390.306 3.170 20 30 GGEDMO N#Cc1cc(Br)ccc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000448775994 566496807 /nfs/dbraw/zinc/49/68/07/566496807.db2.gz VDSUZXBIINLIBQ-UHFFFAOYSA-N 1 1 390.306 3.170 20 30 GGEDMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000485691460 566517865 /nfs/dbraw/zinc/51/78/65/566517865.db2.gz XLEIFIHEHGTKSA-CQSZACIVSA-N 1 1 375.519 3.353 20 30 GGEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)C2CC2)nnc1-c1ccc(Cl)cc1 ZINC000578476042 566525366 /nfs/dbraw/zinc/52/53/66/566525366.db2.gz UUFGLZDIOCYTJC-MRXNPFEDSA-N 1 1 378.929 3.332 20 30 GGEDMO CCN1CC[NH+](CC(C)(C)Nc2cc(Br)c(C#N)cc2F)CC1 ZINC000578549148 566532539 /nfs/dbraw/zinc/53/25/39/566532539.db2.gz AKFRMYOSNAYDBE-UHFFFAOYSA-N 1 1 383.309 3.288 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccsc1 ZINC000603632068 566536283 /nfs/dbraw/zinc/53/62/83/566536283.db2.gz RPLXMPQISWJJRN-GOSISDBHSA-N 1 1 377.535 3.122 20 30 GGEDMO C[N@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604081478 566553447 /nfs/dbraw/zinc/55/34/47/566553447.db2.gz VZILRHXIWJNICH-SFHVURJKSA-N 1 1 389.293 3.387 20 30 GGEDMO C[N@@H+](Cc1ccc(Br)cc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000604439038 566566404 /nfs/dbraw/zinc/56/64/04/566566404.db2.gz WBODIBILIGNKAR-INIZCTEOSA-N 1 1 393.256 3.332 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000604439038 566566411 /nfs/dbraw/zinc/56/64/11/566566411.db2.gz WBODIBILIGNKAR-INIZCTEOSA-N 1 1 393.256 3.332 20 30 GGEDMO O[C@H](COc1ccccc1F)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460625 566594364 /nfs/dbraw/zinc/59/43/64/566594364.db2.gz RGUHJBCNRKGTHO-GARJFASQSA-N 1 1 375.284 3.238 20 30 GGEDMO O[C@H](COc1ccccc1F)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460625 566594365 /nfs/dbraw/zinc/59/43/65/566594365.db2.gz RGUHJBCNRKGTHO-GARJFASQSA-N 1 1 375.284 3.238 20 30 GGEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000450066534 566629915 /nfs/dbraw/zinc/62/99/15/566629915.db2.gz GQMXRQKVNPSAKW-CQSZACIVSA-N 1 1 376.298 3.125 20 30 GGEDMO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467244623 566636297 /nfs/dbraw/zinc/63/62/97/566636297.db2.gz UEGMCJJSYOQEJF-CYBMUJFWSA-N 1 1 396.329 3.310 20 30 GGEDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505656 566650905 /nfs/dbraw/zinc/65/09/05/566650905.db2.gz BVRSLTDRZSAPJC-OSMBCOQSSA-N 1 1 377.282 3.330 20 30 GGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)c(OCC)c(OC)c2)C1=O ZINC000467517012 566652809 /nfs/dbraw/zinc/65/28/09/566652809.db2.gz QQHUVSWBSDPRBY-OAHLLOKOSA-N 1 1 397.313 3.075 20 30 GGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)c(OCC)c(OC)c2)C1=O ZINC000467517012 566652812 /nfs/dbraw/zinc/65/28/12/566652812.db2.gz QQHUVSWBSDPRBY-OAHLLOKOSA-N 1 1 397.313 3.075 20 30 GGEDMO C=CCCOCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000675573908 566653300 /nfs/dbraw/zinc/65/33/00/566653300.db2.gz YXEXYFPFOMZLIO-UHFFFAOYSA-N 1 1 381.314 3.122 20 30 GGEDMO C[N@H+]1C[C@H](NC(=O)c2cccc(C#N)c2Br)[C@H](c2ccccc2)C1 ZINC000450293317 566654401 /nfs/dbraw/zinc/65/44/01/566654401.db2.gz YEARALSKZGRPSP-IRXDYDNUSA-N 1 1 384.277 3.148 20 30 GGEDMO C[N@H+]1C[C@@H](NC(=O)c2cccc(C#N)c2Br)[C@@H](c2ccccc2)C1 ZINC000450293316 566654546 /nfs/dbraw/zinc/65/45/46/566654546.db2.gz YEARALSKZGRPSP-IAGOWNOFSA-N 1 1 384.277 3.148 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](Nc2ncc(Br)cc2C#N)[C@@H](C)C1 ZINC000450340292 566659870 /nfs/dbraw/zinc/65/98/70/566659870.db2.gz VARQVSRGZZPXSB-BBRMVZONSA-N 1 1 381.318 3.265 20 30 GGEDMO C=CCCn1cc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)nn1 ZINC000653574393 566678701 /nfs/dbraw/zinc/67/87/01/566678701.db2.gz VTQVMGLDTTVFKT-UHFFFAOYSA-N 1 1 391.313 3.412 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000580510195 566700357 /nfs/dbraw/zinc/70/03/57/566700357.db2.gz CBPCVWZMOCHTKS-GDBMZVCRSA-N 1 1 390.325 3.264 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000468452788 566702606 /nfs/dbraw/zinc/70/26/06/566702606.db2.gz WBLBEPFAAHAOGQ-SFHVURJKSA-N 1 1 393.325 3.388 20 30 GGEDMO N#Cc1cccc(C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1Br ZINC000450822478 566709584 /nfs/dbraw/zinc/70/95/84/566709584.db2.gz BFDAQLIKCKERLP-CQSZACIVSA-N 1 1 399.292 3.483 20 30 GGEDMO COc1cc(C#N)ccc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488159485 566711196 /nfs/dbraw/zinc/71/11/96/566711196.db2.gz IMKJXFLLCBTESW-UHFFFAOYSA-N 1 1 375.266 3.324 20 30 GGEDMO COc1cc(C#N)ccc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488159485 566711199 /nfs/dbraw/zinc/71/11/99/566711199.db2.gz IMKJXFLLCBTESW-UHFFFAOYSA-N 1 1 375.266 3.324 20 30 GGEDMO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000515559474 566720765 /nfs/dbraw/zinc/72/07/65/566720765.db2.gz QMEWMURDCIUFAD-QWHCGFSZSA-N 1 1 393.333 3.141 20 30 GGEDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)c1ccsc1 ZINC000451040586 566740730 /nfs/dbraw/zinc/74/07/30/566740730.db2.gz RWMRVSKLIZMXDK-OAHLLOKOSA-N 1 1 383.926 3.049 20 30 GGEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)C[C@@H](O)COCc1ccccc1 ZINC000561864174 566744929 /nfs/dbraw/zinc/74/49/29/566744929.db2.gz BQTTXQHLMFZLNY-LJQANCHMSA-N 1 1 389.293 3.330 20 30 GGEDMO C[N@H+](Cc1ccc(Br)cc1C#N)C[C@@H](O)COCc1ccccc1 ZINC000561864174 566744935 /nfs/dbraw/zinc/74/49/35/566744935.db2.gz BQTTXQHLMFZLNY-LJQANCHMSA-N 1 1 389.293 3.330 20 30 GGEDMO Cc1cc2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)oc2c(Br)c1 ZINC000541996500 566767637 /nfs/dbraw/zinc/76/76/37/566767637.db2.gz TWXIWQRNBDIWIS-UHFFFAOYSA-N 1 1 376.254 3.222 20 30 GGEDMO C=C(C)COc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)ccc1OC ZINC000469187864 566769200 /nfs/dbraw/zinc/76/92/00/566769200.db2.gz NMEFKAZAKNXDDA-UHFFFAOYSA-N 1 1 381.519 3.405 20 30 GGEDMO C=CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000489433343 566789230 /nfs/dbraw/zinc/78/92/30/566789230.db2.gz GZVDKBVKTMNHKM-MRXNPFEDSA-N 1 1 376.444 3.165 20 30 GGEDMO C=CCCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000489433343 566789233 /nfs/dbraw/zinc/78/92/33/566789233.db2.gz GZVDKBVKTMNHKM-MRXNPFEDSA-N 1 1 376.444 3.165 20 30 GGEDMO C=C(C)COc1cc(C[NH2+]Cc2c(Br)cnn2C)ccc1OC ZINC000631209918 566791055 /nfs/dbraw/zinc/79/10/55/566791055.db2.gz RPOHUGWSFPTCSS-UHFFFAOYSA-N 1 1 380.286 3.436 20 30 GGEDMO C=CCCCS(=O)(=O)N(CC[NH+](C)C)c1cccc(Br)c1 ZINC000427772158 566796135 /nfs/dbraw/zinc/79/61/35/566796135.db2.gz CWKFVCUXZBORFN-UHFFFAOYSA-N 1 1 375.332 3.113 20 30 GGEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000469637475 566805577 /nfs/dbraw/zinc/80/55/77/566805577.db2.gz LWWBICTVHFOVAB-QGZVFWFLSA-N 1 1 399.304 3.212 20 30 GGEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000469637475 566805579 /nfs/dbraw/zinc/80/55/79/566805579.db2.gz LWWBICTVHFOVAB-QGZVFWFLSA-N 1 1 399.304 3.212 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(I)cc1)[NH+]1CCC(CC#N)CC1 ZINC000542880384 566834201 /nfs/dbraw/zinc/83/42/01/566834201.db2.gz COLGDPXYFMFMOI-GFCCVEGCSA-N 1 1 397.260 3.244 20 30 GGEDMO N#Cc1ccncc1N1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000517817366 566849414 /nfs/dbraw/zinc/84/94/14/566849414.db2.gz POIITKABKCOOJA-UHFFFAOYSA-N 1 1 385.309 3.471 20 30 GGEDMO COc1ccc(Br)c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428779400 566877746 /nfs/dbraw/zinc/87/77/46/566877746.db2.gz FJAYNSILSDZMDY-INIZCTEOSA-N 1 1 388.265 3.378 20 30 GGEDMO COc1ccc(Br)c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428779400 566877753 /nfs/dbraw/zinc/87/77/53/566877753.db2.gz FJAYNSILSDZMDY-INIZCTEOSA-N 1 1 388.265 3.378 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)nc1 ZINC000428819777 566882760 /nfs/dbraw/zinc/88/27/60/566882760.db2.gz QSCMXCZQVYSTOB-MRXNPFEDSA-N 1 1 383.249 3.241 20 30 GGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3Br)C2)nc1 ZINC000428819777 566882767 /nfs/dbraw/zinc/88/27/67/566882767.db2.gz QSCMXCZQVYSTOB-MRXNPFEDSA-N 1 1 383.249 3.241 20 30 GGEDMO CC[NH+]1CCN(CCCCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611094465 566888973 /nfs/dbraw/zinc/88/89/73/566888973.db2.gz KYKVDFBSNKGHKF-UHFFFAOYSA-N 1 1 383.323 3.013 20 30 GGEDMO C[N@@H+](CCc1ccc(Br)cc1)CC(=O)NCc1cccc(C#N)c1 ZINC000518582207 566891935 /nfs/dbraw/zinc/89/19/35/566891935.db2.gz IYQLTKVYIORZPD-UHFFFAOYSA-N 1 1 386.293 3.111 20 30 GGEDMO COc1ccc(C#N)cc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000428993676 566896569 /nfs/dbraw/zinc/89/65/69/566896569.db2.gz NZUVIGZCZJDYIS-MRXNPFEDSA-N 1 1 379.229 3.292 20 30 GGEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000428993675 566896662 /nfs/dbraw/zinc/89/66/62/566896662.db2.gz NZUVIGZCZJDYIS-INIZCTEOSA-N 1 1 379.229 3.292 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000611500427 566922518 /nfs/dbraw/zinc/92/25/18/566922518.db2.gz ZVPOZWDEPNRXCK-QGZVFWFLSA-N 1 1 378.314 3.007 20 30 GGEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)C(C)C)nc2cc(Cl)ccc2c1=O ZINC000656690533 566934352 /nfs/dbraw/zinc/93/43/52/566934352.db2.gz JIHJWMMDEVJANG-CQSZACIVSA-N 1 1 381.929 3.029 20 30 GGEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129734 566941511 /nfs/dbraw/zinc/94/15/11/566941511.db2.gz XWGRYBQHYXOKPL-XEZPLFJOSA-N 1 1 376.298 3.123 20 30 GGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000519670715 566956809 /nfs/dbraw/zinc/95/68/09/566956809.db2.gz GVOBIFKBTQJDRW-HNNXBMFYSA-N 1 1 378.263 3.337 20 30 GGEDMO N#Cc1c(Br)cccc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000519677619 566957855 /nfs/dbraw/zinc/95/78/55/566957855.db2.gz UCKWPXXVLGXISG-INIZCTEOSA-N 1 1 386.293 3.499 20 30 GGEDMO C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CC[N@H+](C2CCC2)C1 ZINC000452319828 566963099 /nfs/dbraw/zinc/96/30/99/566963099.db2.gz GJXIQDQQKWXAQF-CYBMUJFWSA-N 1 1 376.298 3.267 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274805 566980881 /nfs/dbraw/zinc/98/08/81/566980881.db2.gz SXPIDDYUXUQODX-YVEFUNNKSA-N 1 1 384.293 3.463 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494274805 566980888 /nfs/dbraw/zinc/98/08/88/566980888.db2.gz SXPIDDYUXUQODX-YVEFUNNKSA-N 1 1 384.293 3.463 20 30 GGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Br)cc1OCCCO ZINC000583761716 566981920 /nfs/dbraw/zinc/98/19/20/566981920.db2.gz ZZDOMNAETQFZMV-ZDUSSCGKSA-N 1 1 390.281 3.328 20 30 GGEDMO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Br)c1 ZINC000430175210 566997022 /nfs/dbraw/zinc/99/70/22/566997022.db2.gz BOKWYTKZQHRODK-INIZCTEOSA-N 1 1 388.265 3.378 20 30 GGEDMO COc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(Br)c1 ZINC000430175210 566997023 /nfs/dbraw/zinc/99/70/23/566997023.db2.gz BOKWYTKZQHRODK-INIZCTEOSA-N 1 1 388.265 3.378 20 30 GGEDMO C=CCc1cc(C[N@@H+](C)CCn2cc(Br)cn2)cc(OC)c1O ZINC000584081526 567010635 /nfs/dbraw/zinc/01/06/35/567010635.db2.gz ZELQMQVECOLULW-UHFFFAOYSA-N 1 1 380.286 3.220 20 30 GGEDMO COCC#CC[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000682372886 567040979 /nfs/dbraw/zinc/04/09/79/567040979.db2.gz YFGXDZHUEGVTSQ-INIZCTEOSA-N 1 1 382.298 3.089 20 30 GGEDMO COCC#CC[N@@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000682372886 567040986 /nfs/dbraw/zinc/04/09/86/567040986.db2.gz YFGXDZHUEGVTSQ-INIZCTEOSA-N 1 1 382.298 3.089 20 30 GGEDMO C=CCCn1cc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)nn1 ZINC000657374865 567051742 /nfs/dbraw/zinc/05/17/42/567051742.db2.gz TUFRVFZUOOELLY-UHFFFAOYSA-N 1 1 375.782 3.090 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c(Br)c1 ZINC000585718460 567082515 /nfs/dbraw/zinc/08/25/15/567082515.db2.gz HLVNFFLFGBDVGV-QGZVFWFLSA-N 1 1 378.314 3.007 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c(Br)c1 ZINC000585718460 567082519 /nfs/dbraw/zinc/08/25/19/567082519.db2.gz HLVNFFLFGBDVGV-QGZVFWFLSA-N 1 1 378.314 3.007 20 30 GGEDMO N#Cc1cc(Br)ccc1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000588198361 567120675 /nfs/dbraw/zinc/12/06/75/567120675.db2.gz GELCHGGDHXVLRC-GOSISDBHSA-N 1 1 378.314 3.007 20 30 GGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546589492 567141951 /nfs/dbraw/zinc/14/19/51/567141951.db2.gz WSCKOTKPFKTBNB-CQSZACIVSA-N 1 1 376.298 3.299 20 30 GGEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546589492 567141955 /nfs/dbraw/zinc/14/19/55/567141955.db2.gz WSCKOTKPFKTBNB-CQSZACIVSA-N 1 1 376.298 3.299 20 30 GGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)c(F)c1 ZINC000432339327 567151864 /nfs/dbraw/zinc/15/18/64/567151864.db2.gz SNSJBNKYGVZGEL-QGZVFWFLSA-N 1 1 388.240 3.355 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000433000036 567214411 /nfs/dbraw/zinc/21/44/11/567214411.db2.gz DBRPRYODTVNPNM-XJKSGUPXSA-N 1 1 392.297 3.058 20 30 GGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433283943 567239065 /nfs/dbraw/zinc/23/90/65/567239065.db2.gz DFPHKYFKWOEPKD-INIZCTEOSA-N 1 1 378.314 3.076 20 30 GGEDMO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)CC(C)(C)C#N ZINC000433301716 567240117 /nfs/dbraw/zinc/24/01/17/567240117.db2.gz HGHURSOICJUUQA-GFCCVEGCSA-N 1 1 375.694 3.324 20 30 GGEDMO C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)CC(C)(C)C#N ZINC000433301716 567240125 /nfs/dbraw/zinc/24/01/25/567240125.db2.gz HGHURSOICJUUQA-GFCCVEGCSA-N 1 1 375.694 3.324 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433302826 567240424 /nfs/dbraw/zinc/24/04/24/567240424.db2.gz JSFIVUAXMDZTDX-INIZCTEOSA-N 1 1 378.314 3.076 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433302983 567240534 /nfs/dbraw/zinc/24/05/34/567240534.db2.gz JSFIVUAXMDZTDX-MRXNPFEDSA-N 1 1 378.314 3.076 20 30 GGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433303732 567240750 /nfs/dbraw/zinc/24/07/50/567240750.db2.gz LZCLKHJPEXLBST-GOEBONIOSA-N 1 1 378.314 3.074 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433306462 567241929 /nfs/dbraw/zinc/24/19/29/567241929.db2.gz SDGIGRKBPDNLNK-WBVHZDCISA-N 1 1 392.341 3.322 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475562928 567257673 /nfs/dbraw/zinc/25/76/73/567257673.db2.gz AIWPNVLFSOGDHF-GASCZTMLSA-N 1 1 383.945 3.248 20 30 GGEDMO CC(C)(C#N)CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000499580875 567259143 /nfs/dbraw/zinc/25/91/43/567259143.db2.gz KLJIASVIIHIEEJ-UHFFFAOYSA-N 1 1 393.329 3.262 20 30 GGEDMO N#CC1(CCC[N@H+](CCO)Cc2ccc(Br)s2)CCOCC1 ZINC000499720466 567268226 /nfs/dbraw/zinc/26/82/26/567268226.db2.gz SOMAIVUIBFMKAT-UHFFFAOYSA-N 1 1 387.343 3.405 20 30 GGEDMO CC1CCC([NH+]2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)CC1 ZINC000475799491 567279109 /nfs/dbraw/zinc/27/91/09/567279109.db2.gz VCFATLXQKSEECR-UHFFFAOYSA-N 1 1 381.929 3.097 20 30 GGEDMO C=CCN1CC[C@H]([N@H+](C)CCCc2ccc(Br)cc2OC)C1=O ZINC000499936558 567285401 /nfs/dbraw/zinc/28/54/01/567285401.db2.gz AMVQTUNXWDOKCI-INIZCTEOSA-N 1 1 381.314 3.109 20 30 GGEDMO N#Cc1ccc(Br)c(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000617194769 567289808 /nfs/dbraw/zinc/28/98/08/567289808.db2.gz BFNVDCUTDCCLJK-KRWDZBQOSA-N 1 1 378.314 3.007 20 30 GGEDMO C[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000455787171 567304486 /nfs/dbraw/zinc/30/44/86/567304486.db2.gz NKYDOEJXQNUMIJ-NSHDSACASA-N 1 1 375.885 3.236 20 30 GGEDMO C[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000455787171 567304491 /nfs/dbraw/zinc/30/44/91/567304491.db2.gz NKYDOEJXQNUMIJ-NSHDSACASA-N 1 1 375.885 3.236 20 30 GGEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)C2CC2)nnc1-c1cccc(Cl)c1 ZINC000685910173 567310621 /nfs/dbraw/zinc/31/06/21/567310621.db2.gz OKUZKJISACBSJJ-MRXNPFEDSA-N 1 1 378.929 3.332 20 30 GGEDMO C=C(C)CN(CC)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000455865944 567314207 /nfs/dbraw/zinc/31/42/07/567314207.db2.gz ABONIIFAPBSAGK-UHFFFAOYSA-N 1 1 396.333 3.026 20 30 GGEDMO N#CC1(NC(=O)C[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000527127982 567315365 /nfs/dbraw/zinc/31/53/65/567315365.db2.gz MUJPWSRFGNBBHH-UHFFFAOYSA-N 1 1 381.307 3.068 20 30 GGEDMO N#CC1(NC(=O)C[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000527127982 567315371 /nfs/dbraw/zinc/31/53/71/567315371.db2.gz MUJPWSRFGNBBHH-UHFFFAOYSA-N 1 1 381.307 3.068 20 30 GGEDMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151030 567318305 /nfs/dbraw/zinc/31/83/05/567318305.db2.gz JISOKZRBMZASIS-GOSISDBHSA-N 1 1 394.313 3.135 20 30 GGEDMO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000592149267 567318370 /nfs/dbraw/zinc/31/83/70/567318370.db2.gz LXSQOEPAFKJKEK-FUHWJXTLSA-N 1 1 382.291 3.007 20 30 GGEDMO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000592149267 567318373 /nfs/dbraw/zinc/31/83/73/567318373.db2.gz LXSQOEPAFKJKEK-FUHWJXTLSA-N 1 1 382.291 3.007 20 30 GGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 ZINC000592156262 567318812 /nfs/dbraw/zinc/31/88/12/567318812.db2.gz WANIJQHGFPVJDV-QGZVFWFLSA-N 1 1 398.304 3.459 20 30 GGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000500430163 567320888 /nfs/dbraw/zinc/32/08/88/567320888.db2.gz PHWLDCOVPPUSHY-UHFFFAOYSA-N 1 1 397.953 3.392 20 30 GGEDMO CCCCOCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501025965 567358599 /nfs/dbraw/zinc/35/85/99/567358599.db2.gz GXVFLZRXYCNZSM-SFHVURJKSA-N 1 1 380.330 3.448 20 30 GGEDMO N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)c3sccc3Cl)CC2)c1 ZINC000593668041 567433188 /nfs/dbraw/zinc/43/31/88/567433188.db2.gz COOXPCWYPKLVBA-UHFFFAOYSA-N 1 1 395.937 3.216 20 30 GGEDMO C[C@@H]1COCC[N@H+]1C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000593989028 567450357 /nfs/dbraw/zinc/45/03/57/567450357.db2.gz XOUCMTAFZOUJFV-CQSZACIVSA-N 1 1 378.314 3.006 20 30 GGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccccc1CC#N)c1ccsc1 ZINC000619572545 567466353 /nfs/dbraw/zinc/46/63/53/567466353.db2.gz JDUMEDSDLXBDLJ-QGZVFWFLSA-N 1 1 377.535 3.176 20 30 GGEDMO CC(=O)NCC[N@@H+](CCCSCC#N)Cc1ccc(Br)s1 ZINC000503213252 567474114 /nfs/dbraw/zinc/47/41/14/567474114.db2.gz XMTUBRNTKKLOKY-UHFFFAOYSA-N 1 1 390.372 3.096 20 30 GGEDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000619798368 567481443 /nfs/dbraw/zinc/48/14/43/567481443.db2.gz ZGZOPNRGTVIBFC-MRXNPFEDSA-N 1 1 398.315 3.446 20 30 GGEDMO CN1CCC([N@@H+]2CC[C@@H](Nc3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000594555627 567484878 /nfs/dbraw/zinc/48/48/78/567484878.db2.gz AZUNAHGCBMGIOG-CYBMUJFWSA-N 1 1 381.293 3.040 20 30 GGEDMO CN1CCC([N@H+]2CC[C@@H](Nc3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000594555627 567484880 /nfs/dbraw/zinc/48/48/80/567484880.db2.gz AZUNAHGCBMGIOG-CYBMUJFWSA-N 1 1 381.293 3.040 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503447852 567485968 /nfs/dbraw/zinc/48/59/68/567485968.db2.gz OGIMWROEOLDQPC-GASCZTMLSA-N 1 1 383.945 3.248 20 30 GGEDMO N#Cc1cccc(C2([NH2+]Cc3cc(=O)n4cc(Br)ccc4n3)CC2)c1 ZINC000551402326 567503129 /nfs/dbraw/zinc/50/31/29/567503129.db2.gz ZEIGAPMYVBNTFP-UHFFFAOYSA-N 1 1 395.260 3.108 20 30 GGEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000594757646 567508338 /nfs/dbraw/zinc/50/83/38/567508338.db2.gz HMTNNIAJJFAHDU-WBMJQRKESA-N 1 1 377.535 3.042 20 30 GGEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cn3)C2=O)cc1 ZINC000503950672 567515324 /nfs/dbraw/zinc/51/53/24/567515324.db2.gz ZQTSRQCWBLMEFD-KRWDZBQOSA-N 1 1 385.265 3.001 20 30 GGEDMO N#Cc1ccc(CC[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000595301732 567553305 /nfs/dbraw/zinc/55/33/05/567553305.db2.gz NWTQCKFGSZUWNF-UHFFFAOYSA-N 1 1 398.304 3.321 20 30 GGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1oc2ccccc2c1Br ZINC000595397528 567562131 /nfs/dbraw/zinc/56/21/31/567562131.db2.gz KSJOKGNISSCRKL-UHFFFAOYSA-N 1 1 388.269 3.267 20 30 GGEDMO N#CC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614282 567573901 /nfs/dbraw/zinc/57/39/01/567573901.db2.gz JQFDWSRUBVVLHP-JSGCOSHPSA-N 1 1 387.705 3.468 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595617479 567574231 /nfs/dbraw/zinc/57/42/31/567574231.db2.gz WDYKUQMBYRQXRG-OLZOCXBDSA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617479 567574236 /nfs/dbraw/zinc/57/42/36/567574236.db2.gz WDYKUQMBYRQXRG-OLZOCXBDSA-N 1 1 397.260 3.244 20 30 GGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000439448427 567587126 /nfs/dbraw/zinc/58/71/26/567587126.db2.gz GWXZGOBROVYJCM-CYBMUJFWSA-N 1 1 377.897 3.313 20 30 GGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000439440269 567587391 /nfs/dbraw/zinc/58/73/91/567587391.db2.gz OHYGBVNIPJNEHT-CYBMUJFWSA-N 1 1 377.897 3.313 20 30 GGEDMO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CCC(=O)N(C)CCC#N ZINC000571865179 567595457 /nfs/dbraw/zinc/59/54/57/567595457.db2.gz FGTIMYKRCOHIFE-HNNXBMFYSA-N 1 1 378.314 3.348 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1OC ZINC000621738969 567608715 /nfs/dbraw/zinc/60/87/15/567608715.db2.gz YKWQOCMFXTWXEB-UKRRQHHQSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1OC ZINC000621738969 567608720 /nfs/dbraw/zinc/60/87/20/567608720.db2.gz YKWQOCMFXTWXEB-UKRRQHHQSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)cc1OC ZINC000621738967 567609089 /nfs/dbraw/zinc/60/90/89/567609089.db2.gz YKWQOCMFXTWXEB-DZGCQCFKSA-N 1 1 384.314 3.473 20 30 GGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)cc1OC ZINC000621738967 567609094 /nfs/dbraw/zinc/60/90/94/567609094.db2.gz YKWQOCMFXTWXEB-DZGCQCFKSA-N 1 1 384.314 3.473 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530617675 567614307 /nfs/dbraw/zinc/61/43/07/567614307.db2.gz HEFWLUAZFSLLDY-QGZVFWFLSA-N 1 1 377.897 3.101 20 30 GGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(Cc2cccc(Br)c2)no1 ZINC000572473392 567642192 /nfs/dbraw/zinc/64/21/92/567642192.db2.gz TYFTVSGIHFTOCJ-CABCVRRESA-N 1 1 378.270 3.246 20 30 GGEDMO C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000459661789 567647553 /nfs/dbraw/zinc/64/75/53/567647553.db2.gz RVIBQISYGCIGBK-DOMZBBRYSA-N 1 1 380.286 3.182 20 30 GGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000507277683 567672093 /nfs/dbraw/zinc/67/20/93/567672093.db2.gz INACXJVSFOQTEL-OKILXGFUSA-N 1 1 383.945 3.246 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000553863390 567693521 /nfs/dbraw/zinc/69/35/21/567693521.db2.gz PWDJMYNKTKHGIC-ZRGWGRIASA-N 1 1 392.341 3.394 20 30 GGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccco1 ZINC000443041755 567727907 /nfs/dbraw/zinc/72/79/07/567727907.db2.gz XZNFJRNHICBOKF-HNNXBMFYSA-N 1 1 381.885 3.166 20 30 GGEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000533095828 567751740 /nfs/dbraw/zinc/75/17/40/567751740.db2.gz WZXMMEUIHSKTJA-INIZCTEOSA-N 1 1 398.315 3.446 20 30 GGEDMO COC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c(Br)c1 ZINC000554883871 567754210 /nfs/dbraw/zinc/75/42/10/567754210.db2.gz FKPUPDLHMYZDPJ-UHFFFAOYSA-N 1 1 389.249 3.406 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000554916386 567756103 /nfs/dbraw/zinc/75/61/03/567756103.db2.gz JMMCJHYYFJPOQU-KRWDZBQOSA-N 1 1 377.897 3.101 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000554919232 567756864 /nfs/dbraw/zinc/75/68/64/567756864.db2.gz PWTWFXPKABUTJK-QGZVFWFLSA-N 1 1 377.897 3.101 20 30 GGEDMO C[N@H+](CCOc1ccccc1Cl)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000533218767 567759240 /nfs/dbraw/zinc/75/92/40/567759240.db2.gz SOXAHFOOKRILHT-HNNXBMFYSA-N 1 1 375.881 3.389 20 30 GGEDMO C[N@@H+](CCOc1ccccc1Cl)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000533218767 567759242 /nfs/dbraw/zinc/75/92/42/567759242.db2.gz SOXAHFOOKRILHT-HNNXBMFYSA-N 1 1 375.881 3.389 20 30 GGEDMO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000598586438 567777432 /nfs/dbraw/zinc/77/74/32/567777432.db2.gz VCCQRBPBTFOXGO-CYBMUJFWSA-N 1 1 384.307 3.052 20 30 GGEDMO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000598587533 567777893 /nfs/dbraw/zinc/77/78/93/567777893.db2.gz SLIGSJDKAAYWPS-MRXNPFEDSA-N 1 1 384.307 3.052 20 30 GGEDMO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000025046282 570693443 /nfs/dbraw/zinc/69/34/43/570693443.db2.gz QEGYKEDBAJWVRP-QFIPXVFZSA-N 1 1 375.472 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ZINC000029932571 1400382012 /nfs/dbraw/zinc/38/20/12/1400382012.db2.gz GWORZKWITILYJH-MRXNPFEDSA-N 1 1 385.533 3.143 20 30 GGEDMO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000029930924 1400382268 /nfs/dbraw/zinc/38/22/68/1400382268.db2.gz OGOVZKODMDWMKF-ZDUSSCGKSA-N 1 1 384.867 3.030 20 30 GGEDMO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000029930924 1400382276 /nfs/dbraw/zinc/38/22/76/1400382276.db2.gz OGOVZKODMDWMKF-ZDUSSCGKSA-N 1 1 384.867 3.030 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCn3cnc4ccccc43)CC2)cc1 ZINC000029980529 1400390818 /nfs/dbraw/zinc/39/08/18/1400390818.db2.gz BSANHVPTXJYWTE-UHFFFAOYSA-N 1 1 387.487 3.033 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)COc3cccc(Cl)c3)CC2)cc1 ZINC000029984466 1400392186 /nfs/dbraw/zinc/39/21/86/1400392186.db2.gz IANXEWKEHCZWJS-UHFFFAOYSA-N 1 1 383.879 3.325 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3cccc(Cl)c3)CC2)cc1 ZINC000029984466 1400392195 /nfs/dbraw/zinc/39/21/95/1400392195.db2.gz IANXEWKEHCZWJS-UHFFFAOYSA-N 1 1 383.879 3.325 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3Cc4ccccc4S3)CC2)cc1 ZINC000029985725 1400392878 /nfs/dbraw/zinc/39/28/78/1400392878.db2.gz KHVYAQGNKQREOV-NRFANRHFSA-N 1 1 377.513 3.310 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3Cc4ccccc4S3)CC2)cc1 ZINC000029985725 1400392880 /nfs/dbraw/zinc/39/28/80/1400392880.db2.gz KHVYAQGNKQREOV-NRFANRHFSA-N 1 1 377.513 3.310 20 30 GGEDMO Cc1noc2nc(C)cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c12 ZINC000029985685 1400393012 /nfs/dbraw/zinc/39/30/12/1400393012.db2.gz BBFCGHHGFHRXEB-UHFFFAOYSA-N 1 1 389.459 3.059 20 30 GGEDMO Cc1noc2nc(C)cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c12 ZINC000029985685 1400393014 /nfs/dbraw/zinc/39/30/14/1400393014.db2.gz BBFCGHHGFHRXEB-UHFFFAOYSA-N 1 1 389.459 3.059 20 30 GGEDMO C=CCOc1ccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000030000819 1400395099 /nfs/dbraw/zinc/39/50/99/1400395099.db2.gz UMTMEQYJQLSTCA-HSZRJFAPSA-N 1 1 393.531 3.360 20 30 GGEDMO C=CCOc1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000030000819 1400395107 /nfs/dbraw/zinc/39/51/07/1400395107.db2.gz UMTMEQYJQLSTCA-HSZRJFAPSA-N 1 1 393.531 3.360 20 30 GGEDMO C=CCOc1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000030000819 1400395112 /nfs/dbraw/zinc/39/51/12/1400395112.db2.gz UMTMEQYJQLSTCA-HSZRJFAPSA-N 1 1 393.531 3.360 20 30 GGEDMO CC[N@@H+](CC(=O)NCCc1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000042742008 1400407059 /nfs/dbraw/zinc/40/70/59/1400407059.db2.gz PWBIRCCJZJEGOF-QGZVFWFLSA-N 1 1 395.503 3.317 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741440 1400407151 /nfs/dbraw/zinc/40/71/51/1400407151.db2.gz KCVMYATVKYNUKQ-AWEZNQCLSA-N 1 1 382.420 3.497 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741440 1400407156 /nfs/dbraw/zinc/40/71/56/1400407156.db2.gz KCVMYATVKYNUKQ-AWEZNQCLSA-N 1 1 382.420 3.497 20 30 GGEDMO 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ZINC000043096815 1403706594 /nfs/dbraw/zinc/70/65/94/1403706594.db2.gz HJVVDVAMXISSQP-UHFFFAOYSA-N 1 1 392.503 3.163 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000043329621 1403748233 /nfs/dbraw/zinc/74/82/33/1403748233.db2.gz BNBZNYFGYXXAEL-CALCHBBNSA-N 1 1 378.476 3.489 20 30 GGEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1C)C(C)C ZINC000043830045 1403824819 /nfs/dbraw/zinc/82/48/19/1403824819.db2.gz GVJYRRMLENJVOE-LJQANCHMSA-N 1 1 393.553 3.219 20 30 GGEDMO C[NH+](C)Cc1cccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000044277298 1403912104 /nfs/dbraw/zinc/91/21/04/1403912104.db2.gz UCSCLWLPESOJGT-UHFFFAOYSA-N 1 1 391.519 3.360 20 30 GGEDMO C=CCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000045196290 1404072620 /nfs/dbraw/zinc/07/26/20/1404072620.db2.gz ZGBOLNHWDGVBNN-GOSISDBHSA-N 1 1 385.533 3.031 20 30 GGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000045378023 1404110043 /nfs/dbraw/zinc/11/00/43/1404110043.db2.gz QAZRPUXDXZHCFA-QZTJIDSGSA-N 1 1 386.540 3.368 20 30 GGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000045492540 1404132085 /nfs/dbraw/zinc/13/20/85/1404132085.db2.gz TUSJEARQTWTZDI-OAQYLSRUSA-N 1 1 386.540 3.227 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000045696866 1404180349 /nfs/dbraw/zinc/18/03/49/1404180349.db2.gz CQKQTKUVTOSONB-SFHVURJKSA-N 1 1 376.460 3.238 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000046037291 1404281704 /nfs/dbraw/zinc/28/17/04/1404281704.db2.gz MTCORUIORCBANB-UHFFFAOYSA-N 1 1 380.448 3.053 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000046037291 1404281712 /nfs/dbraw/zinc/28/17/12/1404281712.db2.gz MTCORUIORCBANB-UHFFFAOYSA-N 1 1 380.448 3.053 20 30 GGEDMO N#Cc1ccc(CN2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000046037291 1404281732 /nfs/dbraw/zinc/28/17/32/1404281732.db2.gz MTCORUIORCBANB-UHFFFAOYSA-N 1 1 380.448 3.053 20 30 GGEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086568 1404293350 /nfs/dbraw/zinc/29/33/50/1404293350.db2.gz CRGSGZSNHPBNFR-LJQANCHMSA-N 1 1 376.504 3.290 20 30 GGEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086568 1404293353 /nfs/dbraw/zinc/29/33/53/1404293353.db2.gz CRGSGZSNHPBNFR-LJQANCHMSA-N 1 1 376.504 3.290 20 30 GGEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)CC1 ZINC000046120910 1404304715 /nfs/dbraw/zinc/30/47/15/1404304715.db2.gz WVTXCBHITFZTRB-UHFFFAOYSA-N 1 1 377.492 3.017 20 30 GGEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000046121254 1404305876 /nfs/dbraw/zinc/30/58/76/1404305876.db2.gz RGZCIERPIKQOKF-UHFFFAOYSA-N 1 1 377.492 3.017 20 30 GGEDMO C[C@@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000046338947 1404370064 /nfs/dbraw/zinc/37/00/64/1404370064.db2.gz QIJRSHNLZJAOCN-UXHICEINSA-N 1 1 397.567 3.038 20 30 GGEDMO C[C@@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000046338947 1404370066 /nfs/dbraw/zinc/37/00/66/1404370066.db2.gz QIJRSHNLZJAOCN-UXHICEINSA-N 1 1 397.567 3.038 20 30 GGEDMO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000046518732 1404458660 /nfs/dbraw/zinc/45/86/60/1404458660.db2.gz MJSFVKQYVRUGAP-HZPDHXFCSA-N 1 1 379.460 3.027 20 30 GGEDMO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000046518732 1404458663 /nfs/dbraw/zinc/45/86/63/1404458663.db2.gz MJSFVKQYVRUGAP-HZPDHXFCSA-N 1 1 379.460 3.027 20 30 GGEDMO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000046518818 1404458690 /nfs/dbraw/zinc/45/86/90/1404458690.db2.gz ZKCDECACZPQHAD-INIZCTEOSA-N 1 1 381.476 3.054 20 30 GGEDMO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000046518818 1404458696 /nfs/dbraw/zinc/45/86/96/1404458696.db2.gz ZKCDECACZPQHAD-INIZCTEOSA-N 1 1 381.476 3.054 20 30 GGEDMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529415 1404464096 /nfs/dbraw/zinc/46/40/96/1404464096.db2.gz KJRXFWPZUHERHC-KRWDZBQOSA-N 1 1 392.503 3.038 20 30 GGEDMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529415 1404464099 /nfs/dbraw/zinc/46/40/99/1404464099.db2.gz KJRXFWPZUHERHC-KRWDZBQOSA-N 1 1 392.503 3.038 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(C#N)cc1 ZINC000046529236 1404464198 /nfs/dbraw/zinc/46/41/98/1404464198.db2.gz CXPUQLPHJPTDRM-UHFFFAOYSA-N 1 1 396.516 3.058 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046530089 1404465346 /nfs/dbraw/zinc/46/53/46/1404465346.db2.gz ROCXJGLKPPSQPX-INIZCTEOSA-N 1 1 376.460 3.144 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046530089 1404465351 /nfs/dbraw/zinc/46/53/51/1404465351.db2.gz ROCXJGLKPPSQPX-INIZCTEOSA-N 1 1 376.460 3.144 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046530073 1404465434 /nfs/dbraw/zinc/46/54/34/1404465434.db2.gz AELZVIKUSJMLKL-INIZCTEOSA-N 1 1 376.460 3.144 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046530073 1404465437 /nfs/dbraw/zinc/46/54/37/1404465437.db2.gz AELZVIKUSJMLKL-INIZCTEOSA-N 1 1 376.460 3.144 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046530260 1404465557 /nfs/dbraw/zinc/46/55/57/1404465557.db2.gz ONMVHHXTCQRKME-QGZVFWFLSA-N 1 1 376.460 3.334 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046530260 1404465560 /nfs/dbraw/zinc/46/55/60/1404465560.db2.gz ONMVHHXTCQRKME-QGZVFWFLSA-N 1 1 376.460 3.334 20 30 GGEDMO C[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000046529607 1404465573 /nfs/dbraw/zinc/46/55/73/1404465573.db2.gz UUKQIWVSIGZUHA-UHFFFAOYSA-N 1 1 377.366 3.205 20 30 GGEDMO C[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000046529607 1404465579 /nfs/dbraw/zinc/46/55/79/1404465579.db2.gz UUKQIWVSIGZUHA-UHFFFAOYSA-N 1 1 377.366 3.205 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046530257 1404465772 /nfs/dbraw/zinc/46/57/72/1404465772.db2.gz ONMVHHXTCQRKME-KRWDZBQOSA-N 1 1 376.460 3.334 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046530257 1404465781 /nfs/dbraw/zinc/46/57/81/1404465781.db2.gz ONMVHHXTCQRKME-KRWDZBQOSA-N 1 1 376.460 3.334 20 30 GGEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COc2ccccc2C#N)C1 ZINC000046714337 1404562226 /nfs/dbraw/zinc/56/22/26/1404562226.db2.gz BXMNMOXXPYXCHI-GOSISDBHSA-N 1 1 377.488 3.485 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000046751158 1404576592 /nfs/dbraw/zinc/57/65/92/1404576592.db2.gz MOELMNFHXZVTCM-HXUWFJFHSA-N 1 1 397.567 3.435 20 30 GGEDMO CCOc1cc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)ccc1OC(F)F ZINC000046777228 1404585590 /nfs/dbraw/zinc/58/55/90/1404585590.db2.gz NJUPEAKBZOJZFN-IBGZPJMESA-N 1 1 383.439 3.173 20 30 GGEDMO CCOc1cc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)ccc1OC(F)F ZINC000046777228 1404585594 /nfs/dbraw/zinc/58/55/94/1404585594.db2.gz NJUPEAKBZOJZFN-IBGZPJMESA-N 1 1 383.439 3.173 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000046796112 1404592076 /nfs/dbraw/zinc/59/20/76/1404592076.db2.gz ONWPXHJMJAVCBP-HXUWFJFHSA-N 1 1 393.487 3.117 20 30 GGEDMO C=CCN(Cc1ccccc1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000046854194 1404613074 /nfs/dbraw/zinc/61/30/74/1404613074.db2.gz ZNCAGYDLASXRPR-UHFFFAOYSA-N 1 1 378.520 3.206 20 30 GGEDMO CN1CC[N@@H+](CCCNC(=O)Nc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000046884598 1404621887 /nfs/dbraw/zinc/62/18/87/1404621887.db2.gz LHLXEHQSGWERPD-NRFANRHFSA-N 1 1 377.492 3.059 20 30 GGEDMO C[N@@H+]1CCN(CCCNC(=O)Nc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000046884598 1404621902 /nfs/dbraw/zinc/62/19/02/1404621902.db2.gz LHLXEHQSGWERPD-NRFANRHFSA-N 1 1 377.492 3.059 20 30 GGEDMO C[N@H+]1CCN(CCCNC(=O)Nc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000046884598 1404621912 /nfs/dbraw/zinc/62/19/12/1404621912.db2.gz LHLXEHQSGWERPD-NRFANRHFSA-N 1 1 377.492 3.059 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000046886047 1404622939 /nfs/dbraw/zinc/62/29/39/1404622939.db2.gz MONLXPQOFMJAIC-UHFFFAOYSA-N 1 1 376.504 3.408 20 30 GGEDMO COc1cc(/C=C/C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)ccc1OCC#N ZINC000046988577 1404663096 /nfs/dbraw/zinc/66/30/96/1404663096.db2.gz UTCFZAPWEFDRAO-CKDFRHGISA-N 1 1 385.508 3.382 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047037828 1404683356 /nfs/dbraw/zinc/68/33/56/1404683356.db2.gz MFYIGBWQHUBJRH-HDICACEKSA-N 1 1 387.572 3.221 20 30 GGEDMO C=CCc1ccc(OCC(=O)Nc2cccnc2-n2cc[nH+]c2C)c(OC)c1 ZINC000047174648 1404732328 /nfs/dbraw/zinc/73/23/28/1404732328.db2.gz HOGACRCUMIVPKX-UHFFFAOYSA-N 1 1 378.432 3.330 20 30 GGEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000047262296 1404774607 /nfs/dbraw/zinc/77/46/07/1404774607.db2.gz AYYIQUWZGVBARQ-INIZCTEOSA-N 1 1 384.867 3.336 20 30 GGEDMO C=CCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000047276647 1404781200 /nfs/dbraw/zinc/78/12/00/1404781200.db2.gz LSVIHDUDUMHIFX-UHFFFAOYSA-N 1 1 396.487 3.022 20 30 GGEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N=c1[nH]c2ccccc2s1 ZINC000047671754 1404890894 /nfs/dbraw/zinc/89/08/94/1404890894.db2.gz DPQMEHPWQNXHJA-UHFFFAOYSA-N 1 1 379.489 3.186 20 30 GGEDMO CN1CCN(C(C)(C)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047701530 1404895973 /nfs/dbraw/zinc/89/59/73/1404895973.db2.gz KSARSCRDNPEQQU-UHFFFAOYSA-N 1 1 392.547 3.253 20 30 GGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715444 1404900742 /nfs/dbraw/zinc/90/07/42/1404900742.db2.gz DRKYEOIPEBTVJZ-OAHLLOKOSA-N 1 1 399.441 3.385 20 30 GGEDMO CCC[N@@H+](CC(=O)N1CCN(c2cccc(C)c2)CC1)Cc1ccc(C#N)cc1 ZINC000047740489 1404913689 /nfs/dbraw/zinc/91/36/89/1404913689.db2.gz SKTKBZZPIFXMGR-UHFFFAOYSA-N 1 1 390.531 3.428 20 30 GGEDMO CCC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)Cc1ccc(C#N)cc1 ZINC000047740358 1404913922 /nfs/dbraw/zinc/91/39/22/1404913922.db2.gz PYMAQZNGLRZDKB-UHFFFAOYSA-N 1 1 395.503 3.446 20 30 GGEDMO CCC(CC)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000048123068 1405064589 /nfs/dbraw/zinc/06/45/89/1405064589.db2.gz MJDHZKGVBAPUIU-FQEVSTJZSA-N 1 1 389.565 3.045 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000048149612 1405075585 /nfs/dbraw/zinc/07/55/85/1405075585.db2.gz YVCFJWRWQNOUQO-UHFFFAOYSA-N 1 1 392.503 3.261 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000048159816 1405079705 /nfs/dbraw/zinc/07/97/05/1405079705.db2.gz FGJIQLSKSVENEY-UHFFFAOYSA-N 1 1 392.503 3.342 20 30 GGEDMO N#Cc1ccc(CSCC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000048184474 1405090896 /nfs/dbraw/zinc/09/08/96/1405090896.db2.gz RQVAHXJHWIPYPM-UHFFFAOYSA-N 1 1 379.529 3.356 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)CCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000048360579 1405163463 /nfs/dbraw/zinc/16/34/63/1405163463.db2.gz UUZDPFQVIQJVQW-KDURUIRLSA-N 1 1 391.515 3.416 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)CCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000048360579 1405163476 /nfs/dbraw/zinc/16/34/76/1405163476.db2.gz UUZDPFQVIQJVQW-KDURUIRLSA-N 1 1 391.515 3.416 20 30 GGEDMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000048450773 1405192665 /nfs/dbraw/zinc/19/26/65/1405192665.db2.gz FZUNXAGXOSCSKJ-UHFFFAOYSA-N 1 1 382.439 3.446 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NCc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000048827388 1405299914 /nfs/dbraw/zinc/29/99/14/1405299914.db2.gz BUQPCVOGZWLXOX-HDICACEKSA-N 1 1 392.503 3.167 20 30 GGEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000048907906 1405320072 /nfs/dbraw/zinc/32/00/72/1405320072.db2.gz KRYRPGGQUAKZGA-LJQANCHMSA-N 1 1 396.878 3.103 20 30 GGEDMO COc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000050089418 1405477691 /nfs/dbraw/zinc/47/76/91/1405477691.db2.gz ZTGZBHUMSQKVOD-MRXNPFEDSA-N 1 1 394.475 3.109 20 30 GGEDMO COc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000050089418 1405477703 /nfs/dbraw/zinc/47/77/03/1405477703.db2.gz ZTGZBHUMSQKVOD-MRXNPFEDSA-N 1 1 394.475 3.109 20 30 GGEDMO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000051058927 1405716166 /nfs/dbraw/zinc/71/61/66/1405716166.db2.gz AAAXUPIEVNJQKV-VQTJNVASSA-N 1 1 398.551 3.259 20 30 GGEDMO CCCCNC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000051183134 1405739023 /nfs/dbraw/zinc/73/90/23/1405739023.db2.gz MDZDIBYMKIXYAV-UHFFFAOYSA-N 1 1 398.551 3.178 20 30 GGEDMO C=CC[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)Cc1ccccc1 ZINC000051400839 1405804650 /nfs/dbraw/zinc/80/46/50/1405804650.db2.gz NXLZVGUEFKVYJN-UHFFFAOYSA-N 1 1 397.563 3.362 20 30 GGEDMO C=CC[N@@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)Cc1ccccc1 ZINC000051400839 1405804652 /nfs/dbraw/zinc/80/46/52/1405804652.db2.gz NXLZVGUEFKVYJN-UHFFFAOYSA-N 1 1 397.563 3.362 20 30 GGEDMO C=CCc1cc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc(OC)c1OC ZINC000051778223 1405863249 /nfs/dbraw/zinc/86/32/49/1405863249.db2.gz QGDSKJZJMVTZQL-QGZVFWFLSA-N 1 1 387.480 3.127 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000051852375 1405875478 /nfs/dbraw/zinc/87/54/78/1405875478.db2.gz YZTQQASWYSNNDC-UHFFFAOYSA-N 1 1 388.515 3.262 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000051852375 1405875483 /nfs/dbraw/zinc/87/54/83/1405875483.db2.gz YZTQQASWYSNNDC-UHFFFAOYSA-N 1 1 388.515 3.262 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000052131039 1405948116 /nfs/dbraw/zinc/94/81/16/1405948116.db2.gz GQDTVRNQSDGYLZ-QFIPXVFZSA-N 1 1 389.499 3.122 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000052131039 1405948130 /nfs/dbraw/zinc/94/81/30/1405948130.db2.gz GQDTVRNQSDGYLZ-QFIPXVFZSA-N 1 1 389.499 3.122 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000052131047 1405948513 /nfs/dbraw/zinc/94/85/13/1405948513.db2.gz SWJOZCWVYOTFSD-UHFFFAOYSA-N 1 1 387.842 3.360 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000052131047 1405948523 /nfs/dbraw/zinc/94/85/23/1405948523.db2.gz SWJOZCWVYOTFSD-UHFFFAOYSA-N 1 1 387.842 3.360 20 30 GGEDMO CCc1ccc(CNC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000052409236 1406044439 /nfs/dbraw/zinc/04/44/39/1406044439.db2.gz NFNAXUIKWHLKOH-UHFFFAOYSA-N 1 1 396.560 3.006 20 30 GGEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052534738 1406078038 /nfs/dbraw/zinc/07/80/38/1406078038.db2.gz PTHHBCBTRJNQHZ-UHFFFAOYSA-N 1 1 393.403 3.079 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cccc(CC#N)c3)cc2)C[C@H](C)O1 ZINC000052690463 1406123044 /nfs/dbraw/zinc/12/30/44/1406123044.db2.gz UVUWJVXAJUOAFO-HDICACEKSA-N 1 1 377.488 3.292 20 30 GGEDMO Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801380 1406173092 /nfs/dbraw/zinc/17/30/92/1406173092.db2.gz XONCLYDGBBAJTG-HXUWFJFHSA-N 1 1 390.531 3.126 20 30 GGEDMO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801380 1406173117 /nfs/dbraw/zinc/17/31/17/1406173117.db2.gz XONCLYDGBBAJTG-HXUWFJFHSA-N 1 1 390.531 3.126 20 30 GGEDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801083 1406173260 /nfs/dbraw/zinc/17/32/60/1406173260.db2.gz PJLRUBOQKAVPHT-MRXNPFEDSA-N 1 1 393.447 3.006 20 30 GGEDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801083 1406173277 /nfs/dbraw/zinc/17/32/77/1406173277.db2.gz PJLRUBOQKAVPHT-MRXNPFEDSA-N 1 1 393.447 3.006 20 30 GGEDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052800987 1406173371 /nfs/dbraw/zinc/17/33/71/1406173371.db2.gz MBNKCDJYLLSXNV-MRXNPFEDSA-N 1 1 393.447 3.006 20 30 GGEDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052800987 1406173387 /nfs/dbraw/zinc/17/33/87/1406173387.db2.gz MBNKCDJYLLSXNV-MRXNPFEDSA-N 1 1 393.447 3.006 20 30 GGEDMO COc1ccc2c(C[N@H+]3CCCN(c4ccccc4C#N)CC3)cc(=O)oc2c1 ZINC000052801017 1406173411 /nfs/dbraw/zinc/17/34/11/1406173411.db2.gz ZOXUAIKRISNBDK-UHFFFAOYSA-N 1 1 389.455 3.386 20 30 GGEDMO CSc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052801276 1406174383 /nfs/dbraw/zinc/17/43/83/1406174383.db2.gz GCPFATFIKCFTRB-UHFFFAOYSA-N 1 1 380.517 3.431 20 30 GGEDMO CSc1ccc(NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052801276 1406174395 /nfs/dbraw/zinc/17/43/95/1406174395.db2.gz GCPFATFIKCFTRB-UHFFFAOYSA-N 1 1 380.517 3.431 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801082 1406174732 /nfs/dbraw/zinc/17/47/32/1406174732.db2.gz PJLRUBOQKAVPHT-INIZCTEOSA-N 1 1 393.447 3.006 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801082 1406174748 /nfs/dbraw/zinc/17/47/48/1406174748.db2.gz PJLRUBOQKAVPHT-INIZCTEOSA-N 1 1 393.447 3.006 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801157 1406174855 /nfs/dbraw/zinc/17/48/55/1406174855.db2.gz BCVUHPTUYMDHSQ-HNNXBMFYSA-N 1 1 383.883 3.146 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801157 1406174874 /nfs/dbraw/zinc/17/48/74/1406174874.db2.gz BCVUHPTUYMDHSQ-HNNXBMFYSA-N 1 1 383.883 3.146 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000052801311 1406175143 /nfs/dbraw/zinc/17/51/43/1406175143.db2.gz KYZYXPMYFVSEKA-UHFFFAOYSA-N 1 1 393.447 3.007 20 30 GGEDMO CCc1ccc(CNC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000052801576 1406176860 /nfs/dbraw/zinc/17/68/60/1406176860.db2.gz IDTMBKRDAOPQAI-UHFFFAOYSA-N 1 1 382.533 3.011 20 30 GGEDMO CCc1ccc(CNC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000052801576 1406176868 /nfs/dbraw/zinc/17/68/68/1406176868.db2.gz IDTMBKRDAOPQAI-UHFFFAOYSA-N 1 1 382.533 3.011 20 30 GGEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000052830008 1406190568 /nfs/dbraw/zinc/19/05/68/1406190568.db2.gz OYRDRFNMMXBIAF-INIZCTEOSA-N 1 1 384.867 3.336 20 30 GGEDMO Cc1noc([C@H]2CCC[N@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)C2)n1 ZINC000052863543 1406202659 /nfs/dbraw/zinc/20/26/59/1406202659.db2.gz YBROIXLZPFNHEF-SFHVURJKSA-N 1 1 381.480 3.121 20 30 GGEDMO Cc1noc([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3cccc(C)c3C)C2)n1 ZINC000052863543 1406202671 /nfs/dbraw/zinc/20/26/71/1406202671.db2.gz YBROIXLZPFNHEF-SFHVURJKSA-N 1 1 381.480 3.121 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000057618625 1407668998 /nfs/dbraw/zinc/66/89/98/1407668998.db2.gz AXEGAKAGDSMTKQ-CEXWTWQISA-N 1 1 386.540 3.083 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cc4ccccc4[nH]3)CC2)cc1 ZINC000057645591 1407675889 /nfs/dbraw/zinc/67/58/89/1407675889.db2.gz LPVZVAWHPHGHSH-UHFFFAOYSA-N 1 1 387.487 3.457 20 30 GGEDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000176343467 1428258121 /nfs/dbraw/zinc/25/81/21/1428258121.db2.gz VCBRFVCPMVYMSI-SFHVURJKSA-N 1 1 380.492 3.263 20 30 GGEDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000176343467 1428258129 /nfs/dbraw/zinc/25/81/29/1428258129.db2.gz VCBRFVCPMVYMSI-SFHVURJKSA-N 1 1 380.492 3.263 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(c3ccccn3)CC1)CCCC2 ZINC000057847173 1407736831 /nfs/dbraw/zinc/73/68/31/1407736831.db2.gz KQPVIYQHBSUKBN-UHFFFAOYSA-N 1 1 395.532 3.044 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058076064 1407780432 /nfs/dbraw/zinc/78/04/32/1407780432.db2.gz HZXBUIWBQVNCOB-QGZVFWFLSA-N 1 1 382.508 3.068 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccc(C#N)cc1 ZINC000058397072 1407822285 /nfs/dbraw/zinc/82/22/85/1407822285.db2.gz MBENJNMKOLNOMG-UHFFFAOYSA-N 1 1 396.560 3.175 20 30 GGEDMO CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477589 1407986145 /nfs/dbraw/zinc/98/61/45/1407986145.db2.gz LGHURAORUYIUEV-GOSISDBHSA-N 1 1 392.503 3.347 20 30 GGEDMO CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477589 1407986149 /nfs/dbraw/zinc/98/61/49/1407986149.db2.gz LGHURAORUYIUEV-GOSISDBHSA-N 1 1 392.503 3.347 20 30 GGEDMO CCC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000061001827 1408063346 /nfs/dbraw/zinc/06/33/46/1408063346.db2.gz YFIAYWOJGGKDQD-UHFFFAOYSA-N 1 1 378.476 3.186 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCOC3CCCC3)CC2)cc1 ZINC000061018193 1408065425 /nfs/dbraw/zinc/06/54/25/1408065425.db2.gz KFIWTUJPOPBCHS-UHFFFAOYSA-N 1 1 384.524 3.125 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1)CC(F)(F)F ZINC000176399497 1428301449 /nfs/dbraw/zinc/30/14/49/1428301449.db2.gz GRNRQEWGDQHUFU-ZDUSSCGKSA-N 1 1 388.459 3.154 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000176403397 1428303872 /nfs/dbraw/zinc/30/38/72/1428303872.db2.gz NDTRIWMDJDIGMP-INIZCTEOSA-N 1 1 382.430 3.093 20 30 GGEDMO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000062488886 1408268007 /nfs/dbraw/zinc/26/80/07/1408268007.db2.gz KYEOQTPOVYVSSL-UHFFFAOYSA-N 1 1 395.478 3.003 20 30 GGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000063401099 1408348898 /nfs/dbraw/zinc/34/88/98/1408348898.db2.gz OLXYAMRKYNYBJZ-ROUUACIJSA-N 1 1 384.524 3.144 20 30 GGEDMO Cc1ccc(C(=O)C(C(=S)NC2CCN(C)CC2)[n+]2ccccc2)cc1C ZINC000063441358 1408354251 /nfs/dbraw/zinc/35/42/51/1408354251.db2.gz OFTAJWQCQNGADG-UHFFFAOYSA-O 1 1 382.553 3.214 20 30 GGEDMO Cc1ccc(C(=O)C(C(=S)NC2CCN(C)CC2)[n+]2ccc(C)cc2)cc1 ZINC000063441443 1408354884 /nfs/dbraw/zinc/35/48/84/1408354884.db2.gz ZEMPJLCTQLKSHG-UHFFFAOYSA-O 1 1 382.553 3.214 20 30 GGEDMO Cc1ccc(C(=O)C(C(=S)NC2CCN(C)CC2)[n+]2ccc(C)cc2)s1 ZINC000063441651 1408355127 /nfs/dbraw/zinc/35/51/27/1408355127.db2.gz AMSAFBRUFRJFBE-UHFFFAOYSA-O 1 1 388.582 3.275 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC([C@@H](O)c4ccccc4)CC3)C2=O)cc1 ZINC000063491961 1408363698 /nfs/dbraw/zinc/36/36/98/1408363698.db2.gz GWVKPGQNGPAYMM-YADHBBJMSA-N 1 1 375.472 3.109 20 30 GGEDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000063515984 1408366122 /nfs/dbraw/zinc/36/61/22/1408366122.db2.gz SWTCSVRLWCLQQO-SFHVURJKSA-N 1 1 386.496 3.266 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CNc3ccccc3Cl)CC2)cc1 ZINC000063637272 1408385306 /nfs/dbraw/zinc/38/53/06/1408385306.db2.gz LEUYMFFUQGMHGY-UHFFFAOYSA-N 1 1 382.895 3.358 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000063753444 1408400957 /nfs/dbraw/zinc/40/09/57/1408400957.db2.gz WVQZONOAQZNEGI-JOCHJYFZSA-N 1 1 382.504 3.372 20 30 GGEDMO CC(C)[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(C#N)cc1 ZINC000063750942 1408401017 /nfs/dbraw/zinc/40/10/17/1408401017.db2.gz LLWCLZHLZCLYGU-UHFFFAOYSA-N 1 1 396.403 3.044 20 30 GGEDMO CC(C)[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(C#N)cc1 ZINC000063750942 1408401027 /nfs/dbraw/zinc/40/10/27/1408401027.db2.gz LLWCLZHLZCLYGU-UHFFFAOYSA-N 1 1 396.403 3.044 20 30 GGEDMO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C#N)cc1 ZINC000063750744 1408401143 /nfs/dbraw/zinc/40/11/43/1408401143.db2.gz SKGXIKJIMOSBCK-UHFFFAOYSA-N 1 1 378.432 3.266 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccc(C#N)cc1 ZINC000063750744 1408401150 /nfs/dbraw/zinc/40/11/50/1408401150.db2.gz SKGXIKJIMOSBCK-UHFFFAOYSA-N 1 1 378.432 3.266 20 30 GGEDMO COc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063751019 1408401176 /nfs/dbraw/zinc/40/11/76/1408401176.db2.gz SCOZBZTUKMCHDD-UHFFFAOYSA-N 1 1 380.448 3.126 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000063753488 1408401482 /nfs/dbraw/zinc/40/14/82/1408401482.db2.gz PHEZXTZYFNSSKD-OAQYLSRUSA-N 1 1 392.503 3.034 20 30 GGEDMO Cc1cccc(N2CCN(C(=O)C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)CC2)c1 ZINC000063750333 1408401784 /nfs/dbraw/zinc/40/17/84/1408401784.db2.gz JSYWIGSZRFAVMT-UHFFFAOYSA-N 1 1 390.531 3.426 20 30 GGEDMO CC(C)[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)cc1 ZINC000063751071 1408401845 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C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000066435556 1408837841 /nfs/dbraw/zinc/83/78/41/1408837841.db2.gz AZSGAXLOCSDIBM-QGZVFWFLSA-N 1 1 391.943 3.301 20 30 GGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000066435556 1408837842 /nfs/dbraw/zinc/83/78/42/1408837842.db2.gz AZSGAXLOCSDIBM-QGZVFWFLSA-N 1 1 391.943 3.301 20 30 GGEDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000066483798 1408845396 /nfs/dbraw/zinc/84/53/96/1408845396.db2.gz BMNWBSJHCNAWMH-FQEVSTJZSA-N 1 1 383.448 3.311 20 30 GGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)c2C1 ZINC000066760918 1408904142 /nfs/dbraw/zinc/90/41/42/1408904142.db2.gz HXSYARKKDUYYOS-UHFFFAOYSA-N 1 1 386.459 3.304 20 30 GGEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)c2C1 ZINC000066760918 1408904146 /nfs/dbraw/zinc/90/41/46/1408904146.db2.gz HXSYARKKDUYYOS-UHFFFAOYSA-N 1 1 386.459 3.304 20 30 GGEDMO Cc1cnc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000176553824 1428361531 /nfs/dbraw/zinc/36/15/31/1428361531.db2.gz IKAPPYIDVFTQTF-INIZCTEOSA-N 1 1 383.521 3.302 20 30 GGEDMO C[N@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000066920075 1408951531 /nfs/dbraw/zinc/95/15/31/1408951531.db2.gz OBTFLJBDUQTDPK-UHFFFAOYSA-N 1 1 383.517 3.091 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000066954643 1408963175 /nfs/dbraw/zinc/96/31/75/1408963175.db2.gz ZTEDVKNUUWUZPQ-SJORKVTESA-N 1 1 388.537 3.409 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000067498543 1409138814 /nfs/dbraw/zinc/13/88/14/1409138814.db2.gz AXEFLBGADZEHPR-GOSISDBHSA-N 1 1 387.524 3.208 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3nnc(C(F)F)s3)CC2)cc1 ZINC000067586312 1409176248 /nfs/dbraw/zinc/17/62/48/1409176248.db2.gz SVVPKQRYMVTNTE-UHFFFAOYSA-N 1 1 392.435 3.087 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3nnc(C(F)F)s3)CC2)cc1 ZINC000067586312 1409176257 /nfs/dbraw/zinc/17/62/57/1409176257.db2.gz SVVPKQRYMVTNTE-UHFFFAOYSA-N 1 1 392.435 3.087 20 30 GGEDMO C[C@H](NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000067607636 1409187447 /nfs/dbraw/zinc/18/74/47/1409187447.db2.gz KEBZFUXGHLQJJF-ROUUACIJSA-N 1 1 392.503 3.339 20 30 GGEDMO C[C@H](NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000067607636 1409187449 /nfs/dbraw/zinc/18/74/49/1409187449.db2.gz KEBZFUXGHLQJJF-ROUUACIJSA-N 1 1 392.503 3.339 20 30 GGEDMO Cc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NC2CCN(C)CC2)cc1 ZINC000067952271 1409263235 /nfs/dbraw/zinc/26/32/35/1409263235.db2.gz CMGMLCBZZLYUEB-UHFFFAOYSA-O 1 1 382.553 3.214 20 30 GGEDMO Cc1ccc(C(=O)C(C(=S)NC2CCN(C)CC2)[n+]2cccc(C)c2)cc1 ZINC000067952257 1409263248 /nfs/dbraw/zinc/26/32/48/1409263248.db2.gz LLOIMUVGQNSZGK-UHFFFAOYSA-O 1 1 382.553 3.214 20 30 GGEDMO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000068049607 1409286807 /nfs/dbraw/zinc/28/68/07/1409286807.db2.gz AODXPTCHBOTTBB-JIWMQAFSSA-N 1 1 392.543 3.486 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000068254944 1409341356 /nfs/dbraw/zinc/34/13/56/1409341356.db2.gz UIJMNUNJPSISJQ-MRXNPFEDSA-N 1 1 390.578 3.320 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCN(c2nccs2)CC1 ZINC000068254944 1409341358 /nfs/dbraw/zinc/34/13/58/1409341358.db2.gz UIJMNUNJPSISJQ-MRXNPFEDSA-N 1 1 390.578 3.320 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c32)CC1 ZINC000068445028 1409404456 /nfs/dbraw/zinc/40/44/56/1409404456.db2.gz KNQSNHJAOPFZAM-UHFFFAOYSA-N 1 1 392.459 3.189 20 30 GGEDMO C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000068605243 1409449049 /nfs/dbraw/zinc/44/90/49/1409449049.db2.gz WHKMMVCNHMYJSB-NRFANRHFSA-N 1 1 392.503 3.356 20 30 GGEDMO C=CCN(Cc1ccccc1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000068605243 1409449054 /nfs/dbraw/zinc/44/90/54/1409449054.db2.gz WHKMMVCNHMYJSB-NRFANRHFSA-N 1 1 392.503 3.356 20 30 GGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(CCC#N)Cc3cccnc3)cc2)C[C@H](C)O1 ZINC000068924540 1409525814 /nfs/dbraw/zinc/52/58/14/1409525814.db2.gz FTMSDBJZLSNCTC-OALUTQOASA-N 1 1 392.503 3.247 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069088180 1409561588 /nfs/dbraw/zinc/56/15/88/1409561588.db2.gz SUWCQQPYJJLILI-KRWDZBQOSA-N 1 1 380.467 3.413 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000069088180 1409561592 /nfs/dbraw/zinc/56/15/92/1409561592.db2.gz SUWCQQPYJJLILI-KRWDZBQOSA-N 1 1 380.467 3.413 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069088184 1409561678 /nfs/dbraw/zinc/56/16/78/1409561678.db2.gz SUWCQQPYJJLILI-QGZVFWFLSA-N 1 1 380.467 3.413 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCN(C)c2ccccc2C1 ZINC000069088184 1409561682 /nfs/dbraw/zinc/56/16/82/1409561682.db2.gz SUWCQQPYJJLILI-QGZVFWFLSA-N 1 1 380.467 3.413 20 30 GGEDMO N#CCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000069305185 1409610526 /nfs/dbraw/zinc/61/05/26/1409610526.db2.gz OIXCGGHOMCVDLW-NRFANRHFSA-N 1 1 392.503 3.300 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000069606227 1409660990 /nfs/dbraw/zinc/66/09/90/1409660990.db2.gz CATRPMAHZANDHB-QGZVFWFLSA-N 1 1 378.476 3.409 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000069606227 1409660992 /nfs/dbraw/zinc/66/09/92/1409660992.db2.gz CATRPMAHZANDHB-QGZVFWFLSA-N 1 1 378.476 3.409 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000069606870 1409661121 /nfs/dbraw/zinc/66/11/21/1409661121.db2.gz VMGKQJKCTVMVOG-GOSISDBHSA-N 1 1 377.492 3.199 20 30 GGEDMO C[NH+](C)[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000069729959 1409685220 /nfs/dbraw/zinc/68/52/20/1409685220.db2.gz RIDAWEWXONQQPM-LJQANCHMSA-N 1 1 386.883 3.344 20 30 GGEDMO C=CC[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)CC1CCCCC1 ZINC000069860278 1409717095 /nfs/dbraw/zinc/71/70/95/1409717095.db2.gz WJPLPRSSBNAFOX-UHFFFAOYSA-N 1 1 383.536 3.263 20 30 GGEDMO C[C@H](NCC1([NH+]2CCSCC2)CCCCC1)C(=O)Nc1ccccc1C#N ZINC000069874199 1409719552 /nfs/dbraw/zinc/71/95/52/1409719552.db2.gz BJRZOELTIFKTFW-KRWDZBQOSA-N 1 1 386.565 3.227 20 30 GGEDMO CN(C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C1(C#N)CCCCC1 ZINC000070976472 1409809405 /nfs/dbraw/zinc/80/94/05/1409809405.db2.gz HJASDQDBLDOCKT-LJQANCHMSA-N 1 1 385.508 3.058 20 30 GGEDMO N#Cc1cccc(OCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000071857979 1409827818 /nfs/dbraw/zinc/82/78/18/1409827818.db2.gz LNHWIIWITQMMPT-UHFFFAOYSA-N 1 1 385.467 3.435 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000072895762 1409855009 /nfs/dbraw/zinc/85/50/09/1409855009.db2.gz VWLZVPWFZMXISU-PMACEKPBSA-N 1 1 382.552 3.314 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000074322043 1409871820 /nfs/dbraw/zinc/87/18/20/1409871820.db2.gz ROEBWFCKVMGJHA-UHFFFAOYSA-N 1 1 376.504 3.483 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNc1ccc(C#N)cc1 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N#Cc1ccc(N2CC[C@H]([NH+]3CCC(OCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000091889774 1410089920 /nfs/dbraw/zinc/08/99/20/1410089920.db2.gz GZFGEXSEWKEPDV-QFIPXVFZSA-N 1 1 393.462 3.484 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000091936541 1410094115 /nfs/dbraw/zinc/09/41/15/1410094115.db2.gz ZILXBCUXISSQSU-GOSISDBHSA-N 1 1 376.508 3.049 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000091936541 1410094125 /nfs/dbraw/zinc/09/41/25/1410094125.db2.gz ZILXBCUXISSQSU-GOSISDBHSA-N 1 1 376.508 3.049 20 30 GGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H](N4CCNC4=O)C3)c2)c1 ZINC000092189020 1410118839 /nfs/dbraw/zinc/11/88/39/1410118839.db2.gz VLPWDURUEAUKNE-NRFANRHFSA-N 1 1 390.487 3.127 20 30 GGEDMO C#CCOc1ccccc1C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000092534696 1410167902 /nfs/dbraw/zinc/16/79/02/1410167902.db2.gz WBOCMBWTUCKRPX-UHFFFAOYSA-N 1 1 376.500 3.366 20 30 GGEDMO C#CCOc1ccccc1C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000092534696 1410167903 /nfs/dbraw/zinc/16/79/03/1410167903.db2.gz WBOCMBWTUCKRPX-UHFFFAOYSA-N 1 1 376.500 3.366 20 30 GGEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000092616693 1410181452 /nfs/dbraw/zinc/18/14/52/1410181452.db2.gz RZOWMXKYQOAYEZ-HKUYNNGSSA-N 1 1 382.508 3.118 20 30 GGEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000092616693 1410181459 /nfs/dbraw/zinc/18/14/59/1410181459.db2.gz RZOWMXKYQOAYEZ-HKUYNNGSSA-N 1 1 382.508 3.118 20 30 GGEDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)[C@@H](C)C2)cc1 ZINC000092659815 1410183455 /nfs/dbraw/zinc/18/34/55/1410183455.db2.gz SNMCSUNXTDWDSI-ROUUACIJSA-N 1 1 393.487 3.475 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000092665038 1410184887 /nfs/dbraw/zinc/18/48/87/1410184887.db2.gz OPXLAGCMOQIYIU-OYRHEFFESA-N 1 1 384.568 3.360 20 30 GGEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)cc1 ZINC000092964437 1410211908 /nfs/dbraw/zinc/21/19/08/1410211908.db2.gz GKKMAMKZJONZKW-GOSISDBHSA-N 1 1 377.554 3.315 20 30 GGEDMO N#CCC[N@@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)CC1CC1 ZINC000093091518 1410221293 /nfs/dbraw/zinc/22/12/93/1410221293.db2.gz YCGYWCDJLGWLAV-UHFFFAOYSA-N 1 1 377.916 3.177 20 30 GGEDMO N#CCC[N@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)CC1CC1 ZINC000093091518 1410221303 /nfs/dbraw/zinc/22/13/03/1410221303.db2.gz YCGYWCDJLGWLAV-UHFFFAOYSA-N 1 1 377.916 3.177 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2cc(C#N)cs2)C(C)C)cc1 ZINC000093149185 1410226397 /nfs/dbraw/zinc/22/63/97/1410226397.db2.gz MJAPAXPISNSMFO-SFHVURJKSA-N 1 1 387.505 3.228 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000093359029 1410238454 /nfs/dbraw/zinc/23/84/54/1410238454.db2.gz YQGCLSMNNSJDLV-IBGZPJMESA-N 1 1 390.487 3.217 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000093359029 1410238464 /nfs/dbraw/zinc/23/84/64/1410238464.db2.gz YQGCLSMNNSJDLV-IBGZPJMESA-N 1 1 390.487 3.217 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000093359030 1410238554 /nfs/dbraw/zinc/23/85/54/1410238554.db2.gz YQGCLSMNNSJDLV-LJQANCHMSA-N 1 1 390.487 3.217 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000093359030 1410238561 /nfs/dbraw/zinc/23/85/61/1410238561.db2.gz YQGCLSMNNSJDLV-LJQANCHMSA-N 1 1 390.487 3.217 20 30 GGEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534367 1410251106 /nfs/dbraw/zinc/25/11/06/1410251106.db2.gz ZPFPIXAOBAGRCM-KRWDZBQOSA-N 1 1 381.436 3.359 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000093740579 1410262517 /nfs/dbraw/zinc/26/25/17/1410262517.db2.gz JKHBYLFSWRSYEG-INIZCTEOSA-N 1 1 377.444 3.492 20 30 GGEDMO COC(=O)C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CCOCC1 ZINC000093763786 1410264721 /nfs/dbraw/zinc/26/47/21/1410264721.db2.gz AGNKCOORJIOWAR-UHFFFAOYSA-N 1 1 394.471 3.291 20 30 GGEDMO COC(=O)C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CCOCC1 ZINC000093763786 1410264727 /nfs/dbraw/zinc/26/47/27/1410264727.db2.gz AGNKCOORJIOWAR-UHFFFAOYSA-N 1 1 394.471 3.291 20 30 GGEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC(C)(C)CN1CCOCC1 ZINC000093769546 1410265551 /nfs/dbraw/zinc/26/55/51/1410265551.db2.gz MJNDDTDNODZSGL-UHFFFAOYSA-N 1 1 395.551 3.254 20 30 GGEDMO CCc1nsc(N2CCC[N@@H+](Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000093871516 1410277928 /nfs/dbraw/zinc/27/79/28/1410277928.db2.gz AGKYKEHCUKAHLX-UHFFFAOYSA-N 1 1 385.537 3.495 20 30 GGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cc1 ZINC000097472688 1410370546 /nfs/dbraw/zinc/37/05/46/1410370546.db2.gz LRTBPFXLXGCJSY-UHFFFAOYSA-N 1 1 382.439 3.446 20 30 GGEDMO Cn1ccnc1COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000101554244 1410460631 /nfs/dbraw/zinc/46/06/31/1410460631.db2.gz VKJBKRCIJUBBAO-UHFFFAOYSA-N 1 1 387.487 3.193 20 30 GGEDMO N#Cc1cccc(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000101607750 1410477528 /nfs/dbraw/zinc/47/75/28/1410477528.db2.gz OGWAATTZTPAPEU-UHFFFAOYSA-N 1 1 376.504 3.408 20 30 GGEDMO CCN1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000101654079 1410486698 /nfs/dbraw/zinc/48/66/98/1410486698.db2.gz OBACTVVFEHWCKS-UHFFFAOYSA-N 1 1 378.476 3.317 20 30 GGEDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000101690483 1410490832 /nfs/dbraw/zinc/49/08/32/1410490832.db2.gz LJOKHARGLBFJOM-IBGZPJMESA-N 1 1 390.531 3.229 20 30 GGEDMO CC(C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)N1CC[NH+](C)CC1 ZINC000101685930 1410490944 /nfs/dbraw/zinc/49/09/44/1410490944.db2.gz BKZAXMUYPGLWGF-HSZRJFAPSA-N 1 1 390.531 3.227 20 30 GGEDMO CC(C)[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)N1CC[NH+](C)CC1 ZINC000101685931 1410491083 /nfs/dbraw/zinc/49/10/83/1410491083.db2.gz BKZAXMUYPGLWGF-QHCPKHFHSA-N 1 1 390.531 3.227 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1cccc(C#N)c1 ZINC000101784744 1410502083 /nfs/dbraw/zinc/50/20/83/1410502083.db2.gz NAWXFQWJURTNIN-OAQYLSRUSA-N 1 1 377.492 3.149 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1ccc(C#N)cc1 ZINC000101784950 1410502292 /nfs/dbraw/zinc/50/22/92/1410502292.db2.gz BXRWEJCQBOYZCF-NRFANRHFSA-N 1 1 377.492 3.149 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000101914390 1410521869 /nfs/dbraw/zinc/52/18/69/1410521869.db2.gz XKSICKCODPHHJA-LSDHHAIUSA-N 1 1 390.915 3.167 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000101914390 1410521879 /nfs/dbraw/zinc/52/18/79/1410521879.db2.gz XKSICKCODPHHJA-LSDHHAIUSA-N 1 1 390.915 3.167 20 30 GGEDMO N#Cc1ccc(OCCC[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000101920535 1410523735 /nfs/dbraw/zinc/52/37/35/1410523735.db2.gz GPILJPMAFBILLY-IBGZPJMESA-N 1 1 382.439 3.362 20 30 GGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000102397607 1410621658 /nfs/dbraw/zinc/62/16/58/1410621658.db2.gz QJSPZUVYZXRHNK-UHFFFAOYSA-N 1 1 385.508 3.185 20 30 GGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000102400977 1410621668 /nfs/dbraw/zinc/62/16/68/1410621668.db2.gz GUSKWBZZGFTJEZ-QGZVFWFLSA-N 1 1 386.471 3.480 20 30 GGEDMO Cc1csc(CCCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000102460645 1410634342 /nfs/dbraw/zinc/63/43/42/1410634342.db2.gz RGRRKDNJSYHVPO-UHFFFAOYSA-N 1 1 397.548 3.173 20 30 GGEDMO COc1cccc(C([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2cccc(OC)c2)c1 ZINC000176865667 1428505370 /nfs/dbraw/zinc/50/53/70/1428505370.db2.gz IJLOBFXRYBGQDX-QHCPKHFHSA-N 1 1 395.503 3.437 20 30 GGEDMO COc1cccc(C([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2cccc(OC)c2)c1 ZINC000176866544 1428505566 /nfs/dbraw/zinc/50/55/66/1428505566.db2.gz HDPNZWSVYXZFDD-HSZRJFAPSA-N 1 1 393.487 3.191 20 30 GGEDMO C=CCn1c(C2CC2)nn(CN2CC[NH+](Cc3ccccc3OC)CC2)c1=S ZINC000102766193 1410736826 /nfs/dbraw/zinc/73/68/26/1410736826.db2.gz HUDAYOKUFLJUBM-UHFFFAOYSA-N 1 1 399.564 3.261 20 30 GGEDMO CC(C)C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)[NH+]1CCOCC1 ZINC000102802680 1410767261 /nfs/dbraw/zinc/76/72/61/1410767261.db2.gz RFRXPPKQZXNLQN-OAHLLOKOSA-N 1 1 396.438 3.028 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931024 1410809199 /nfs/dbraw/zinc/80/91/99/1410809199.db2.gz VQWVFELVWCBVQU-UHFFFAOYSA-N 1 1 378.476 3.111 20 30 GGEDMO Cc1ccccc1[C@@H]1CC(=O)N(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000103265753 1410841979 /nfs/dbraw/zinc/84/19/79/1410841979.db2.gz NPARCUOPKCEQEQ-OAQYLSRUSA-N 1 1 388.515 3.352 20 30 GGEDMO Cc1ccccc1[C@@H]1CC(=O)N(C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000103265753 1410841981 /nfs/dbraw/zinc/84/19/81/1410841981.db2.gz NPARCUOPKCEQEQ-OAQYLSRUSA-N 1 1 388.515 3.352 20 30 GGEDMO COCCn1c(C)c(C)n(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1=S ZINC000103265770 1410842170 /nfs/dbraw/zinc/84/21/70/1410842170.db2.gz FSCOBUMOBLKFHI-UHFFFAOYSA-N 1 1 399.564 3.324 20 30 GGEDMO COCCn1c(C)c(C)n(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1=S ZINC000103265770 1410842171 /nfs/dbraw/zinc/84/21/71/1410842171.db2.gz FSCOBUMOBLKFHI-UHFFFAOYSA-N 1 1 399.564 3.324 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000103410840 1410853546 /nfs/dbraw/zinc/85/35/46/1410853546.db2.gz PXBFVDGDANHQAG-UHFFFAOYSA-N 1 1 379.460 3.204 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000103410840 1410853548 /nfs/dbraw/zinc/85/35/48/1410853548.db2.gz PXBFVDGDANHQAG-UHFFFAOYSA-N 1 1 379.460 3.204 20 30 GGEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccc(F)cc1 ZINC000103491454 1410863509 /nfs/dbraw/zinc/86/35/09/1410863509.db2.gz GZVPEICWGHKAAE-UHFFFAOYSA-N 1 1 382.439 3.375 20 30 GGEDMO C#CCN(Cc1ccc(F)cc1)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000104047737 1410882946 /nfs/dbraw/zinc/88/29/46/1410882946.db2.gz HAFPNILFBQVAAS-UHFFFAOYSA-N 1 1 385.508 3.465 20 30 GGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H](O)COC2CCOCC2)cc1 ZINC000176920951 1428521052 /nfs/dbraw/zinc/52/10/52/1428521052.db2.gz GYPFGZBLOJHYOP-QFIPXVFZSA-N 1 1 398.478 3.256 20 30 GGEDMO C[C@@H](O)C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCCCC1 ZINC000104683879 1410929807 /nfs/dbraw/zinc/92/98/07/1410929807.db2.gz YXOGUKJQAHYOHT-CRAIPNDOSA-N 1 1 378.476 3.239 20 30 GGEDMO C[C@H](O)C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000104683963 1410929975 /nfs/dbraw/zinc/92/99/75/1410929975.db2.gz NXGBUPGILQYNOR-INIZCTEOSA-N 1 1 396.453 3.189 20 30 GGEDMO COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104713243 1410938917 /nfs/dbraw/zinc/93/89/17/1410938917.db2.gz ORUNIBUDQWURCI-KRWDZBQOSA-N 1 1 393.487 3.115 20 30 GGEDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104714006 1410939286 /nfs/dbraw/zinc/93/92/86/1410939286.db2.gz KACGZCRFGDHXAV-MRXNPFEDSA-N 1 1 379.460 3.437 20 30 GGEDMO COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714118 1410939292 /nfs/dbraw/zinc/93/92/92/1410939292.db2.gz YVSRDSPVIWXOCV-QGZVFWFLSA-N 1 1 393.487 3.115 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC000104727929 1410947997 /nfs/dbraw/zinc/94/79/97/1410947997.db2.gz OPXAKVUIWNGFAX-IBGZPJMESA-N 1 1 396.535 3.025 20 30 GGEDMO CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963233 1411004284 /nfs/dbraw/zinc/00/42/84/1411004284.db2.gz IEZGGFSCOFFKAT-UHFFFAOYSA-N 1 1 381.451 3.199 20 30 GGEDMO C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963061 1411004422 /nfs/dbraw/zinc/00/44/22/1411004422.db2.gz AWGTZIJBEGFUHA-MRXNPFEDSA-N 1 1 392.459 3.138 20 30 GGEDMO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000105077474 1411024885 /nfs/dbraw/zinc/02/48/85/1411024885.db2.gz ABWMUYNLCSENNS-IBGZPJMESA-N 1 1 382.464 3.007 20 30 GGEDMO C=CCc1cc(CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC000105211258 1411042424 /nfs/dbraw/zinc/04/24/24/1411042424.db2.gz XBGHRUPSDZTFKM-KRWDZBQOSA-N 1 1 389.540 3.352 20 30 GGEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000105272677 1411047756 /nfs/dbraw/zinc/04/77/56/1411047756.db2.gz FDXXDPSDMWBIML-LJQANCHMSA-N 1 1 384.524 3.231 20 30 GGEDMO C=CCc1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc(OC)c1OC ZINC000105286305 1411050361 /nfs/dbraw/zinc/05/03/61/1411050361.db2.gz GAHZTOARBCTOCA-UHFFFAOYSA-N 1 1 394.515 3.433 20 30 GGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000176996993 1428547047 /nfs/dbraw/zinc/54/70/47/1428547047.db2.gz RNRMFJWCBQEUGG-NRFANRHFSA-N 1 1 381.451 3.119 20 30 GGEDMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000106775222 1411299077 /nfs/dbraw/zinc/29/90/77/1411299077.db2.gz YYQJKTQRCNWRFV-UHFFFAOYSA-N 1 1 397.450 3.018 20 30 GGEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000106943289 1411323647 /nfs/dbraw/zinc/32/36/47/1411323647.db2.gz HUEGBGREVKYXSA-QGZVFWFLSA-N 1 1 393.491 3.108 20 30 GGEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000106946302 1411325244 /nfs/dbraw/zinc/32/52/44/1411325244.db2.gz DUTBVBYAODUDEE-KRWDZBQOSA-N 1 1 393.491 3.108 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(F)cc2C#N)C(C)C)cc1 ZINC000107307532 1411359239 /nfs/dbraw/zinc/35/92/39/1411359239.db2.gz DMMLVHYINAZGRW-NRFANRHFSA-N 1 1 399.466 3.306 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(F)cc2C#N)C(C)C)cc1 ZINC000107307532 1411359248 /nfs/dbraw/zinc/35/92/48/1411359248.db2.gz DMMLVHYINAZGRW-NRFANRHFSA-N 1 1 399.466 3.306 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCCOC2)c1C#N ZINC000107693972 1411398814 /nfs/dbraw/zinc/39/88/14/1411398814.db2.gz YVLXHHKEUNNMLC-KRWDZBQOSA-N 1 1 398.482 3.402 20 30 GGEDMO COc1cccc(C2CC(=O)C(=CNCCC[N@H+]3CCCC[C@@H]3C)C(=O)C2)c1 ZINC000108178318 1411448948 /nfs/dbraw/zinc/44/89/48/1411448948.db2.gz DCUWZZQAOXSDIL-KKFHFHRHSA-N 1 1 384.520 3.449 20 30 GGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000177048673 1428567791 /nfs/dbraw/zinc/56/77/91/1428567791.db2.gz VASJVLKUENQRCW-HTAPYJJXSA-N 1 1 393.487 3.160 20 30 GGEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000108328532 1411473765 /nfs/dbraw/zinc/47/37/65/1411473765.db2.gz RMUQZDHOXNCATM-SFHVURJKSA-N 1 1 379.508 3.152 20 30 GGEDMO CN(C(=O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)C1(C#N)CCCCC1 ZINC000108386881 1411485191 /nfs/dbraw/zinc/48/51/91/1411485191.db2.gz XOWFOVXREZSTFS-OAQYLSRUSA-N 1 1 387.499 3.256 20 30 GGEDMO C#CCOc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000108517673 1411527478 /nfs/dbraw/zinc/52/74/78/1411527478.db2.gz WWLPVBADGPDUSB-HXUWFJFHSA-N 1 1 377.488 3.385 20 30 GGEDMO C#CCOc1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000108521163 1411528988 /nfs/dbraw/zinc/52/89/88/1411528988.db2.gz YVHKZAUDGCZDNE-GOSISDBHSA-N 1 1 393.487 3.241 20 30 GGEDMO C#CCOc1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000108521163 1411528998 /nfs/dbraw/zinc/52/89/98/1411528998.db2.gz YVHKZAUDGCZDNE-GOSISDBHSA-N 1 1 393.487 3.241 20 30 GGEDMO N#Cc1ccccc1COc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000108783667 1411609335 /nfs/dbraw/zinc/60/93/35/1411609335.db2.gz OTLXATSJZOMJLM-QGZVFWFLSA-N 1 1 375.472 3.351 20 30 GGEDMO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3c[nH]c4ncccc34)CC2)C1=O ZINC000177078818 1428580975 /nfs/dbraw/zinc/58/09/75/1428580975.db2.gz KRNHUKANAGCCFP-SFHVURJKSA-N 1 1 391.500 3.481 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1F ZINC000108990792 1411656276 /nfs/dbraw/zinc/65/62/76/1411656276.db2.gz JLMFXSTVZZDLKA-CQSZACIVSA-N 1 1 378.407 3.275 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1F ZINC000108990795 1411656369 /nfs/dbraw/zinc/65/63/69/1411656369.db2.gz JLMFXSTVZZDLKA-AWEZNQCLSA-N 1 1 378.407 3.275 20 30 GGEDMO N#CC1(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CCOCC1 ZINC000109140047 1411692539 /nfs/dbraw/zinc/69/25/39/1411692539.db2.gz NAQLSBSVUUOJAH-IBGZPJMESA-N 1 1 395.528 3.284 20 30 GGEDMO N#CC1(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CCOCC1 ZINC000109140047 1411692551 /nfs/dbraw/zinc/69/25/51/1411692551.db2.gz NAQLSBSVUUOJAH-IBGZPJMESA-N 1 1 395.528 3.284 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C[N@H+]1C1CC1 ZINC000177100015 1428588100 /nfs/dbraw/zinc/58/81/00/1428588100.db2.gz FXJOOQHVEJOPEA-UZLBHIALSA-N 1 1 375.472 3.492 20 30 GGEDMO COCCC[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000109260056 1411727554 /nfs/dbraw/zinc/72/75/54/1411727554.db2.gz XAASRYLXZBGIEE-UHFFFAOYSA-N 1 1 380.492 3.135 20 30 GGEDMO CC(C)CC(N)=[NH+]OCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000109317168 1411739679 /nfs/dbraw/zinc/73/96/79/1411739679.db2.gz AMTZDGABCSGCNG-INIZCTEOSA-N 1 1 396.491 3.451 20 30 GGEDMO COC(=O)CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000109389913 1411753241 /nfs/dbraw/zinc/75/32/41/1411753241.db2.gz LVMJNNKPBSIQAQ-UHFFFAOYSA-N 1 1 391.537 3.348 20 30 GGEDMO CC(C)[N@@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000109404865 1411755976 /nfs/dbraw/zinc/75/59/76/1411755976.db2.gz LTPWOTXYHFXQQX-UHFFFAOYSA-N 1 1 390.531 3.113 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109404725 1411756021 /nfs/dbraw/zinc/75/60/21/1411756021.db2.gz PYYFMKBHUUVNSI-OAQYLSRUSA-N 1 1 381.476 3.167 20 30 GGEDMO CC(C)(C)n1ncc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1=O ZINC000109576050 1411790821 /nfs/dbraw/zinc/79/08/21/1411790821.db2.gz FEASCDBMDXBZGV-UHFFFAOYSA-N 1 1 399.926 3.236 20 30 GGEDMO CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000109679768 1411803289 /nfs/dbraw/zinc/80/32/89/1411803289.db2.gz UYJLQYWZMCSRRO-PKOBYXMFSA-N 1 1 384.524 3.294 20 30 GGEDMO COCCC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000109763554 1411808181 /nfs/dbraw/zinc/80/81/81/1411808181.db2.gz KYUHRPRMZANKMS-NRFANRHFSA-N 1 1 398.528 3.251 20 30 GGEDMO COCCC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000109763554 1411808182 /nfs/dbraw/zinc/80/81/82/1411808182.db2.gz KYUHRPRMZANKMS-NRFANRHFSA-N 1 1 398.528 3.251 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000109784632 1411810351 /nfs/dbraw/zinc/81/03/51/1411810351.db2.gz HKHPERJFXHUYTH-QGZVFWFLSA-N 1 1 398.507 3.350 20 30 GGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000109784632 1411810352 /nfs/dbraw/zinc/81/03/52/1411810352.db2.gz HKHPERJFXHUYTH-QGZVFWFLSA-N 1 1 398.507 3.350 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109818159 1411812114 /nfs/dbraw/zinc/81/21/14/1411812114.db2.gz OWHORVRERNPBIU-HXUWFJFHSA-N 1 1 376.460 3.014 20 30 GGEDMO COc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000110037209 1411826769 /nfs/dbraw/zinc/82/67/69/1411826769.db2.gz CQCIYASYSOMUDK-MRXNPFEDSA-N 1 1 378.476 3.470 20 30 GGEDMO C#Cc1cccc(NC(=O)CNC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)c1 ZINC000110119934 1411832336 /nfs/dbraw/zinc/83/23/36/1411832336.db2.gz PVJWBVDTFUGXOZ-UHFFFAOYSA-N 1 1 377.488 3.267 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000110274964 1411842048 /nfs/dbraw/zinc/84/20/48/1411842048.db2.gz MTQYXMLFPCGIAP-GOSISDBHSA-N 1 1 394.519 3.366 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000110274964 1411842049 /nfs/dbraw/zinc/84/20/49/1411842049.db2.gz MTQYXMLFPCGIAP-GOSISDBHSA-N 1 1 394.519 3.366 20 30 GGEDMO COc1cc(/C=C/C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1OCC#N ZINC000110352614 1411846152 /nfs/dbraw/zinc/84/61/52/1411846152.db2.gz MVRSKAQLWGURJB-NCUBBLFSSA-N 1 1 393.487 3.247 20 30 GGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1C#N ZINC000110627879 1411861000 /nfs/dbraw/zinc/86/10/00/1411861000.db2.gz RKKGDQGBEBWDDC-KRWDZBQOSA-N 1 1 399.539 3.008 20 30 GGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1C#N ZINC000110627879 1411861001 /nfs/dbraw/zinc/86/10/01/1411861001.db2.gz RKKGDQGBEBWDDC-KRWDZBQOSA-N 1 1 399.539 3.008 20 30 GGEDMO N#CCOc1ccc(CC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000110639013 1411861932 /nfs/dbraw/zinc/86/19/32/1411861932.db2.gz ZACCNHOJVSJVDX-UHFFFAOYSA-N 1 1 399.441 3.190 20 30 GGEDMO CC1(C)CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000110719822 1411865651 /nfs/dbraw/zinc/86/56/51/1411865651.db2.gz WSXIOKHDAVBCDH-UHFFFAOYSA-N 1 1 377.488 3.254 20 30 GGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ccccc3OCC#N)CC2)cs1 ZINC000111044322 1411884107 /nfs/dbraw/zinc/88/41/07/1411884107.db2.gz LBLNRAVJDQCLLT-UHFFFAOYSA-N 1 1 398.532 3.250 20 30 GGEDMO C=CCOc1ccccc1C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000111155325 1411892074 /nfs/dbraw/zinc/89/20/74/1411892074.db2.gz NLRRQKKFPVFYLA-UHFFFAOYSA-N 1 1 383.492 3.498 20 30 GGEDMO Cc1cc(C(=O)CON=C(N)C[NH+]2CCCCCC2)c(C)n1CC(F)(F)F ZINC000111178754 1411893910 /nfs/dbraw/zinc/89/39/10/1411893910.db2.gz ODNVQHDTFGBRKG-UHFFFAOYSA-N 1 1 388.434 3.015 20 30 GGEDMO C=CC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC000111256480 1411897898 /nfs/dbraw/zinc/89/78/98/1411897898.db2.gz VVJVNMJGHPXVJC-UHFFFAOYSA-N 1 1 397.441 3.379 20 30 GGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CCn2cccn2)c1C#N ZINC000111280029 1411899774 /nfs/dbraw/zinc/89/97/74/1411899774.db2.gz HUSXETLIJDMMMB-UHFFFAOYSA-N 1 1 382.512 3.249 20 30 GGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)CCn2cccn2)c1C#N ZINC000111280029 1411899776 /nfs/dbraw/zinc/89/97/76/1411899776.db2.gz HUSXETLIJDMMMB-UHFFFAOYSA-N 1 1 382.512 3.249 20 30 GGEDMO C=CC1CCN(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000111471176 1411974809 /nfs/dbraw/zinc/97/48/09/1411974809.db2.gz WRJFHPDFCXTWAW-UHFFFAOYSA-N 1 1 384.568 3.192 20 30 GGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)NCc3cccc(C#N)c3)CC2)cs1 ZINC000111520241 1411986381 /nfs/dbraw/zinc/98/63/81/1411986381.db2.gz HYSDJVCCPAKRTL-UHFFFAOYSA-N 1 1 397.548 3.289 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[N@H+]1C1CC1 ZINC000177172434 1428613001 /nfs/dbraw/zinc/61/30/01/1428613001.db2.gz WJUOLDXOTIDXLS-OXQOHEQNSA-N 1 1 375.472 3.492 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)oc1C ZINC000111536253 1411988625 /nfs/dbraw/zinc/98/86/25/1411988625.db2.gz DCQGFDWQMDJHGA-MRXNPFEDSA-N 1 1 395.507 3.436 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177174448 1428613686 /nfs/dbraw/zinc/61/36/86/1428613686.db2.gz JUBYWCOZWRHLSL-UYAOXDASSA-N 1 1 394.544 3.179 20 30 GGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000177174763 1428613772 /nfs/dbraw/zinc/61/37/72/1428613772.db2.gz GJFGAAAXZJUWIG-GCJKJVERSA-N 1 1 377.488 3.369 20 30 GGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177174433 1428614167 /nfs/dbraw/zinc/61/41/67/1428614167.db2.gz JUBYWCOZWRHLSL-AZUAARDMSA-N 1 1 394.544 3.179 20 30 GGEDMO C=CCOc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000111644854 1412007462 /nfs/dbraw/zinc/00/74/62/1412007462.db2.gz XODCAQIVVKUNBJ-JOCHJYFZSA-N 1 1 380.488 3.066 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(CC#N)cc3)CC2)oc1C ZINC000111715231 1412015247 /nfs/dbraw/zinc/01/52/47/1412015247.db2.gz CYQSDRAMTDKLCK-UHFFFAOYSA-N 1 1 381.480 3.391 20 30 GGEDMO CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000111735478 1412021052 /nfs/dbraw/zinc/02/10/52/1412021052.db2.gz KNFQLTPBTRLXRC-KKXNLOMOSA-N 1 1 384.524 3.279 20 30 GGEDMO C#CCOc1ccc(NC(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000111765855 1412026873 /nfs/dbraw/zinc/02/68/73/1412026873.db2.gz YCXBDQOXWROXKK-UHFFFAOYSA-N 1 1 396.491 3.337 20 30 GGEDMO C[N@@H+](CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C1CCCC1 ZINC000111858130 1412039797 /nfs/dbraw/zinc/03/97/97/1412039797.db2.gz HVKCBYIHKGVTTD-UHFFFAOYSA-N 1 1 384.524 3.422 20 30 GGEDMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1cc(-c2ccco2)on1 ZINC000112081602 1412074221 /nfs/dbraw/zinc/07/42/21/1412074221.db2.gz JUSOPPMEXRRSKO-GFCCVEGCSA-N 1 1 378.429 3.226 20 30 GGEDMO COc1cccc([C@@H](C)[NH+]2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000112542925 1412165998 /nfs/dbraw/zinc/16/59/98/1412165998.db2.gz LYLDLSNGAMDQHA-QZTJIDSGSA-N 1 1 392.503 3.273 20 30 GGEDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000112544527 1412166125 /nfs/dbraw/zinc/16/61/25/1412166125.db2.gz CZURLAMXIDFZJU-MRXNPFEDSA-N 1 1 386.496 3.124 20 30 GGEDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000112544524 1412166255 /nfs/dbraw/zinc/16/62/55/1412166255.db2.gz CZURLAMXIDFZJU-INIZCTEOSA-N 1 1 386.496 3.124 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112700036 1412195869 /nfs/dbraw/zinc/19/58/69/1412195869.db2.gz YEFQOHNYJHDCJM-RTBURBONSA-N 1 1 398.551 3.196 20 30 GGEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(C)C ZINC000112919883 1412239893 /nfs/dbraw/zinc/23/98/93/1412239893.db2.gz DHLWSNVJMJKBPM-KRWDZBQOSA-N 1 1 398.956 3.172 20 30 GGEDMO COc1ccc(-c2noc(CO[NH+]=C(N)CCc3ccccc3)n2)c(OC)c1 ZINC000112969431 1412247955 /nfs/dbraw/zinc/24/79/55/1412247955.db2.gz MDAPIKFMVZLUSZ-UHFFFAOYSA-N 1 1 382.420 3.175 20 30 GGEDMO COC[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000112988072 1412251238 /nfs/dbraw/zinc/25/12/38/1412251238.db2.gz KNWMTYYGKWHYAI-GJZGRUSLSA-N 1 1 375.538 3.432 20 30 GGEDMO COC[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000112988070 1412251785 /nfs/dbraw/zinc/25/17/85/1412251785.db2.gz KNWMTYYGKWHYAI-CABCVRRESA-N 1 1 375.538 3.432 20 30 GGEDMO COC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000112988691 1412251995 /nfs/dbraw/zinc/25/19/95/1412251995.db2.gz UQXKFBWZYIQLAV-GOSISDBHSA-N 1 1 380.492 3.263 20 30 GGEDMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000112988691 1412252000 /nfs/dbraw/zinc/25/20/00/1412252000.db2.gz UQXKFBWZYIQLAV-GOSISDBHSA-N 1 1 380.492 3.263 20 30 GGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000112998611 1412253381 /nfs/dbraw/zinc/25/33/81/1412253381.db2.gz BKIOGHOCLZLPCB-IYBDPMFKSA-N 1 1 386.496 3.217 20 30 GGEDMO Cc1cc(C)c(NC(=O)[C@@H](C)ON=C(N)C[N@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000113250271 1412282753 /nfs/dbraw/zinc/28/27/53/1412282753.db2.gz XAKCDMFKUKEOLS-LSDHHAIUSA-N 1 1 380.920 3.447 20 30 GGEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC000113336505 1412294142 /nfs/dbraw/zinc/29/41/42/1412294142.db2.gz IQQLSQAEAGVWAY-SFHVURJKSA-N 1 1 381.495 3.440 20 30 GGEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC000113336508 1412294324 /nfs/dbraw/zinc/29/43/24/1412294324.db2.gz IQQLSQAEAGVWAY-GOSISDBHSA-N 1 1 381.495 3.440 20 30 GGEDMO CC[C@@H](CNC(=O)NCc1cccc(OCC#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000113374504 1412300475 /nfs/dbraw/zinc/30/04/75/1412300475.db2.gz OUEOPKYHGJNLSO-NRFANRHFSA-N 1 1 392.503 3.225 20 30 GGEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000113405144 1412304244 /nfs/dbraw/zinc/30/42/44/1412304244.db2.gz VDORLBHWCHYHAM-IBGZPJMESA-N 1 1 384.524 3.376 20 30 GGEDMO N#CCOc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000113410992 1412304763 /nfs/dbraw/zinc/30/47/63/1412304763.db2.gz NWVUVHMLOYYXGM-UHFFFAOYSA-N 1 1 378.476 3.006 20 30 GGEDMO COc1ccc([C@H](CO)[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000113510236 1412310838 /nfs/dbraw/zinc/31/08/38/1412310838.db2.gz HTKOBXWEXKUBSL-QFIPXVFZSA-N 1 1 395.503 3.224 20 30 GGEDMO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000113510236 1412310847 /nfs/dbraw/zinc/31/08/47/1412310847.db2.gz HTKOBXWEXKUBSL-QFIPXVFZSA-N 1 1 395.503 3.224 20 30 GGEDMO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000113510240 1412311388 /nfs/dbraw/zinc/31/13/88/1412311388.db2.gz HTKOBXWEXKUBSL-JOCHJYFZSA-N 1 1 395.503 3.224 20 30 GGEDMO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000113510240 1412311394 /nfs/dbraw/zinc/31/13/94/1412311394.db2.gz HTKOBXWEXKUBSL-JOCHJYFZSA-N 1 1 395.503 3.224 20 30 GGEDMO CC[C@H](C#N)Oc1cc(CNC(=O)NCC[N@@H+](C)C2CCCC2)ccc1OC ZINC000113617223 1412322237 /nfs/dbraw/zinc/32/22/37/1412322237.db2.gz QIHJLTZPPZDNAH-GOSISDBHSA-N 1 1 388.512 3.050 20 30 GGEDMO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000113936043 1412355250 /nfs/dbraw/zinc/35/52/50/1412355250.db2.gz JPOQCKWWWZSIJW-SFHVURJKSA-N 1 1 398.507 3.305 20 30 GGEDMO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000113936043 1412355258 /nfs/dbraw/zinc/35/52/58/1412355258.db2.gz JPOQCKWWWZSIJW-SFHVURJKSA-N 1 1 398.507 3.305 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000113992009 1412364483 /nfs/dbraw/zinc/36/44/83/1412364483.db2.gz ODZMYKMYHNMMIY-UTKZUKDTSA-N 1 1 377.488 3.431 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000113992009 1412364489 /nfs/dbraw/zinc/36/44/89/1412364489.db2.gz ODZMYKMYHNMMIY-UTKZUKDTSA-N 1 1 377.488 3.431 20 30 GGEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000114037974 1412373458 /nfs/dbraw/zinc/37/34/58/1412373458.db2.gz OHUCTZAARPJGLV-NRFANRHFSA-N 1 1 392.503 3.395 20 30 GGEDMO COC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000114062478 1412378574 /nfs/dbraw/zinc/37/85/74/1412378574.db2.gz HOBJKLPTBZLZHJ-CQSZACIVSA-N 1 1 388.512 3.161 20 30 GGEDMO COC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000114062478 1412378579 /nfs/dbraw/zinc/37/85/79/1412378579.db2.gz HOBJKLPTBZLZHJ-CQSZACIVSA-N 1 1 388.512 3.161 20 30 GGEDMO Cc1ccc(-n2ccnc2)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000114163973 1412385792 /nfs/dbraw/zinc/38/57/92/1412385792.db2.gz LVCNYMPRJJURDR-UHFFFAOYSA-N 1 1 399.498 3.401 20 30 GGEDMO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000114689277 1412497882 /nfs/dbraw/zinc/49/78/82/1412497882.db2.gz UZIWSCNCHPYDDI-NRFANRHFSA-N 1 1 375.472 3.351 20 30 GGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(C#N)ccc1C ZINC000114734800 1412513640 /nfs/dbraw/zinc/51/36/40/1412513640.db2.gz KKCTZIFZLAGFAT-QUCCMNQESA-N 1 1 381.501 3.172 20 30 GGEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000114747417 1412517050 /nfs/dbraw/zinc/51/70/50/1412517050.db2.gz PLQDIPJWUPWUNL-RBUKOAKNSA-N 1 1 390.531 3.378 20 30 GGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000177258181 1428656731 /nfs/dbraw/zinc/65/67/31/1428656731.db2.gz CTZNWYCQVNWAQO-UHFFFAOYSA-N 1 1 378.520 3.361 20 30 GGEDMO N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)c2)c1 ZINC000115376022 1412661119 /nfs/dbraw/zinc/66/11/19/1412661119.db2.gz SGWGFCRFYBRSEC-NRFANRHFSA-N 1 1 375.472 3.351 20 30 GGEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000115512117 1412697582 /nfs/dbraw/zinc/69/75/82/1412697582.db2.gz NGQARUJMFKCSLA-LAUBAEHRSA-N 1 1 388.471 3.158 20 30 GGEDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000115597633 1412725298 /nfs/dbraw/zinc/72/52/98/1412725298.db2.gz ZZTZMVAJOBWSPL-AOMKIAJQSA-N 1 1 386.455 3.409 20 30 GGEDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000115598294 1412726640 /nfs/dbraw/zinc/72/66/40/1412726640.db2.gz QWSYIDMMUIPYJX-SJCJKPOMSA-N 1 1 377.366 3.377 20 30 GGEDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000115612124 1412733523 /nfs/dbraw/zinc/73/35/23/1412733523.db2.gz KLBFMRIEMQDISV-CYBMUJFWSA-N 1 1 391.518 3.045 20 30 GGEDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000115612124 1412733540 /nfs/dbraw/zinc/73/35/40/1412733540.db2.gz KLBFMRIEMQDISV-CYBMUJFWSA-N 1 1 391.518 3.045 20 30 GGEDMO COc1ccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccc(F)cc2)cc1 ZINC000115886683 1412810193 /nfs/dbraw/zinc/81/01/93/1412810193.db2.gz BIMKDLQNHLQKOC-FGZHOGPDSA-N 1 1 381.451 3.322 20 30 GGEDMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000115958482 1412817791 /nfs/dbraw/zinc/81/77/91/1412817791.db2.gz LGYGZZDFYNXLDV-UHFFFAOYSA-N 1 1 386.864 3.184 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000116498766 1412869135 /nfs/dbraw/zinc/86/91/35/1412869135.db2.gz ONNAFJBCUUHPCY-IAGOWNOFSA-N 1 1 392.544 3.097 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000116498766 1412869139 /nfs/dbraw/zinc/86/91/39/1412869139.db2.gz ONNAFJBCUUHPCY-IAGOWNOFSA-N 1 1 392.544 3.097 20 30 GGEDMO COc1cccc(C[N@@H+](CC(=O)Nc2sccc2C#N)C2CCC(O)CC2)c1 ZINC000116759958 1412917503 /nfs/dbraw/zinc/91/75/03/1412917503.db2.gz WBCFIEVMJMOLPR-UHFFFAOYSA-N 1 1 399.516 3.373 20 30 GGEDMO COc1cc(C[N@@H+](C)CCn2cccn2)ccc1OCc1cccc(C#N)c1 ZINC000116879370 1412947604 /nfs/dbraw/zinc/94/76/04/1412947604.db2.gz YTXKKSJQBNRXPA-UHFFFAOYSA-N 1 1 376.460 3.474 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(-n4ccnc4)c3)CC2)cc1 ZINC000117748078 1413075284 /nfs/dbraw/zinc/07/52/84/1413075284.db2.gz YPDQXNNJQNXZSY-UHFFFAOYSA-N 1 1 385.471 3.092 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(-n4ccnc4)c3)CC2)cc1 ZINC000117748078 1413075290 /nfs/dbraw/zinc/07/52/90/1413075290.db2.gz YPDQXNNJQNXZSY-UHFFFAOYSA-N 1 1 385.471 3.092 20 30 GGEDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000118108912 1413111154 /nfs/dbraw/zinc/11/11/54/1413111154.db2.gz OTUBAHHOAOIBIX-GOSISDBHSA-N 1 1 398.894 3.002 20 30 GGEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000118117290 1413112549 /nfs/dbraw/zinc/11/25/49/1413112549.db2.gz XCWYSFBBULAZOR-MRXNPFEDSA-N 1 1 394.475 3.136 20 30 GGEDMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)C ZINC000118119900 1413113000 /nfs/dbraw/zinc/11/30/00/1413113000.db2.gz ZUVKFMVWVNSHLZ-UHFFFAOYSA-N 1 1 394.475 3.136 20 30 GGEDMO CCc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391139 1413158652 /nfs/dbraw/zinc/15/86/52/1413158652.db2.gz QQNNZWXOOQTWKU-GOSISDBHSA-N 1 1 376.504 3.438 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](CCCCO)C2CC2)c1C#N ZINC000118844363 1413243635 /nfs/dbraw/zinc/24/36/35/1413243635.db2.gz NYBMQPPCDHPSRP-UHFFFAOYSA-N 1 1 398.482 3.280 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](CCCCO)C2CC2)c1C#N ZINC000118844359 1413243770 /nfs/dbraw/zinc/24/37/70/1413243770.db2.gz CYVQOUGRMGEZSV-UHFFFAOYSA-N 1 1 394.519 3.200 20 30 GGEDMO N#Cc1c(NC(=O)CC[N@H+](CCCCO)C2CC2)sc2c1CCCCC2 ZINC000118844186 1413243974 /nfs/dbraw/zinc/24/39/74/1413243974.db2.gz QBRBGTMCWWDZIH-UHFFFAOYSA-N 1 1 375.538 3.454 20 30 GGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000119378474 1413429422 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N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000177660683 1428825391 /nfs/dbraw/zinc/82/53/91/1428825391.db2.gz WGHVWFQNLRGICM-QGZVFWFLSA-N 1 1 384.499 3.001 20 30 GGEDMO C=CCCCCCN(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000123351511 1414703871 /nfs/dbraw/zinc/70/38/71/1414703871.db2.gz YRCIISHXXINSRC-SFHVURJKSA-N 1 1 387.524 3.223 20 30 GGEDMO C=CCOc1cccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000123624395 1414799343 /nfs/dbraw/zinc/79/93/43/1414799343.db2.gz LDBAPGJRDVPHDU-UHFFFAOYSA-N 1 1 392.546 3.256 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000123704904 1414812830 /nfs/dbraw/zinc/81/28/30/1414812830.db2.gz IGJAZSXEDVNAOS-FQEVSTJZSA-N 1 1 393.535 3.238 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123750823 1414819664 /nfs/dbraw/zinc/81/96/64/1414819664.db2.gz YFHWUKGEWFCNMJ-LSDHHAIUSA-N 1 1 385.899 3.227 20 30 GGEDMO CC(C)[N@H+](CCCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000124107711 1414886689 /nfs/dbraw/zinc/88/66/89/1414886689.db2.gz ZRFWDROFIIXWOR-UHFFFAOYSA-N 1 1 376.460 3.474 20 30 GGEDMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000124107711 1414886691 /nfs/dbraw/zinc/88/66/91/1414886691.db2.gz ZRFWDROFIIXWOR-UHFFFAOYSA-N 1 1 376.460 3.474 20 30 GGEDMO CC(C)(C)C[N@@H+](CCC#N)Cn1nc(Br)c(=O)c2ccccc21 ZINC000124136031 1414893018 /nfs/dbraw/zinc/89/30/18/1414893018.db2.gz QTDYMNXIAXOORM-UHFFFAOYSA-N 1 1 377.286 3.378 20 30 GGEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)nc1 ZINC000177738074 1428846459 /nfs/dbraw/zinc/84/64/59/1428846459.db2.gz FTRRHGDDKUFHKU-IBGZPJMESA-N 1 1 378.476 3.381 20 30 GGEDMO CC[NH+](CC)[C@@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1ccccc1 ZINC000124486856 1414979634 /nfs/dbraw/zinc/97/96/34/1414979634.db2.gz XHEZNJGWCSFRCG-HXUWFJFHSA-N 1 1 388.475 3.220 20 30 GGEDMO CC[NH+](CC)[C@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1ccccc1 ZINC000124486650 1414979649 /nfs/dbraw/zinc/97/96/49/1414979649.db2.gz XHEZNJGWCSFRCG-FQEVSTJZSA-N 1 1 388.475 3.220 20 30 GGEDMO CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124785464 1415043620 /nfs/dbraw/zinc/04/36/20/1415043620.db2.gz YUXWTJFUDKHWCZ-GOTSBHOMSA-N 1 1 396.579 3.286 20 30 GGEDMO CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124785241 1415044022 /nfs/dbraw/zinc/04/40/22/1415044022.db2.gz YUXWTJFUDKHWCZ-PKTZIBPZSA-N 1 1 396.579 3.286 20 30 GGEDMO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124807923 1415049421 /nfs/dbraw/zinc/04/94/21/1415049421.db2.gz QFEHLWHHPRREAL-SLFFLAALSA-N 1 1 382.552 3.244 20 30 GGEDMO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000124807923 1415049427 /nfs/dbraw/zinc/04/94/27/1415049427.db2.gz QFEHLWHHPRREAL-SLFFLAALSA-N 1 1 382.552 3.244 20 30 GGEDMO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000124807923 1415049434 /nfs/dbraw/zinc/04/94/34/1415049434.db2.gz QFEHLWHHPRREAL-SLFFLAALSA-N 1 1 382.552 3.244 20 30 GGEDMO C[N@H+]1CCC[C@H]1CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N ZINC000125123787 1415114302 /nfs/dbraw/zinc/11/43/02/1415114302.db2.gz WQCCZGAUWHIFOT-INIZCTEOSA-N 1 1 381.505 3.364 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000125247268 1415140148 /nfs/dbraw/zinc/14/01/48/1415140148.db2.gz LAGYWUWTDVTDJD-FQEVSTJZSA-N 1 1 398.894 3.485 20 30 GGEDMO C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000125254355 1415143407 /nfs/dbraw/zinc/14/34/07/1415143407.db2.gz RPGKZGWOHLQRQR-UHFFFAOYSA-N 1 1 396.487 3.022 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125273954 1415148829 /nfs/dbraw/zinc/14/88/29/1415148829.db2.gz MRJRMSKZSDERRJ-CYBMUJFWSA-N 1 1 394.903 3.385 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125273767 1415149006 /nfs/dbraw/zinc/14/90/06/1415149006.db2.gz MRJRMSKZSDERRJ-ZDUSSCGKSA-N 1 1 394.903 3.385 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(C#N)cc1 ZINC000125278484 1415150258 /nfs/dbraw/zinc/15/02/58/1415150258.db2.gz MTBHBNREPWKIKJ-UHFFFAOYSA-N 1 1 376.460 3.146 20 30 GGEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000125290178 1415153825 /nfs/dbraw/zinc/15/38/25/1415153825.db2.gz FVDKTOLLIXFNEV-UHFFFAOYSA-N 1 1 394.903 3.387 20 30 GGEDMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000125380093 1415181022 /nfs/dbraw/zinc/18/10/22/1415181022.db2.gz CUQALLJPSRITHG-GOSISDBHSA-N 1 1 375.394 3.338 20 30 GGEDMO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000125380093 1415181035 /nfs/dbraw/zinc/18/10/35/1415181035.db2.gz CUQALLJPSRITHG-GOSISDBHSA-N 1 1 375.394 3.338 20 30 GGEDMO C=CC[NH+]1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000177868889 1428878377 /nfs/dbraw/zinc/87/83/77/1428878377.db2.gz PNBMWRWKTZLJNL-LJQANCHMSA-N 1 1 376.589 3.323 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000125642900 1415244416 /nfs/dbraw/zinc/24/44/16/1415244416.db2.gz LYBAEOZCRZTQBM-OAHLLOKOSA-N 1 1 379.489 3.304 20 30 GGEDMO C=CCc1cc(C[NH+]2CCN(c3ncnc4sccc43)CC2)cc(OC)c1O ZINC000125642319 1415244421 /nfs/dbraw/zinc/24/44/21/1415244421.db2.gz TYAXRJPQYNLYBB-UHFFFAOYSA-N 1 1 396.516 3.456 20 30 GGEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(OCCc4ccccc4)CC3)C2=O)cc1 ZINC000125713940 1415260457 /nfs/dbraw/zinc/26/04/57/1415260457.db2.gz OODULURTNSFGRT-HSZRJFAPSA-N 1 1 389.499 3.387 20 30 GGEDMO CCOc1ccc(NC(=O)CC[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000177895725 1428885798 /nfs/dbraw/zinc/88/57/98/1428885798.db2.gz JPCYSEJVMOAIMX-UHFFFAOYSA-N 1 1 392.503 3.498 20 30 GGEDMO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000125764659 1415274003 /nfs/dbraw/zinc/27/40/03/1415274003.db2.gz UJHMFURZBFHEAB-KRWDZBQOSA-N 1 1 392.503 3.258 20 30 GGEDMO CCc1ccccc1NC(=O)CNC(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000125764659 1415274007 /nfs/dbraw/zinc/27/40/07/1415274007.db2.gz UJHMFURZBFHEAB-KRWDZBQOSA-N 1 1 392.503 3.258 20 30 GGEDMO CC[C@H](NC(=O)NCc1ccc(C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177906736 1428888362 /nfs/dbraw/zinc/88/83/62/1428888362.db2.gz VNRJJDIOMMKRCM-VXKWHMMOSA-N 1 1 392.503 3.037 20 30 GGEDMO CC[C@H](NC(=O)NCc1ccc(C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177906736 1428888364 /nfs/dbraw/zinc/88/83/64/1428888364.db2.gz VNRJJDIOMMKRCM-VXKWHMMOSA-N 1 1 392.503 3.037 20 30 GGEDMO CC[C@@H](NC(=O)NCc1ccc(C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177906771 1428888751 /nfs/dbraw/zinc/88/87/51/1428888751.db2.gz VNRJJDIOMMKRCM-FGZHOGPDSA-N 1 1 392.503 3.037 20 30 GGEDMO CC[C@@H](NC(=O)NCc1ccc(C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177906771 1428888753 /nfs/dbraw/zinc/88/87/53/1428888753.db2.gz VNRJJDIOMMKRCM-FGZHOGPDSA-N 1 1 392.503 3.037 20 30 GGEDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000125827025 1415291321 /nfs/dbraw/zinc/29/13/21/1415291321.db2.gz JOVWZYGPCMMKKA-HNAYVOBHSA-N 1 1 387.480 3.029 20 30 GGEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000125956016 1415321975 /nfs/dbraw/zinc/32/19/75/1415321975.db2.gz PPTUINSXCDURTI-LJQANCHMSA-N 1 1 382.439 3.362 20 30 GGEDMO CCC[N@H+](CC(=O)N(C)c1ccccc1C(=O)OC)Cc1ccc(C#N)cc1 ZINC000126077503 1415351821 /nfs/dbraw/zinc/35/18/21/1415351821.db2.gz WIKNWDAYLRDLMD-UHFFFAOYSA-N 1 1 379.460 3.220 20 30 GGEDMO CCC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)OC)Cc1ccc(C#N)cc1 ZINC000126077503 1415351826 /nfs/dbraw/zinc/35/18/26/1415351826.db2.gz WIKNWDAYLRDLMD-UHFFFAOYSA-N 1 1 379.460 3.220 20 30 GGEDMO N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC000126101135 1415358235 /nfs/dbraw/zinc/35/82/35/1415358235.db2.gz FXAVMVKFQGFCRA-SFHVURJKSA-N 1 1 382.508 3.128 20 30 GGEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000126419718 1415447293 /nfs/dbraw/zinc/44/72/93/1415447293.db2.gz ZCAGMJWRZFXITL-INIZCTEOSA-N 1 1 394.475 3.136 20 30 GGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000177996865 1428922766 /nfs/dbraw/zinc/92/27/66/1428922766.db2.gz OEMPQJUIASYSHE-LEWJYISDSA-N 1 1 382.508 3.011 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178047269 1428955689 /nfs/dbraw/zinc/95/56/89/1428955689.db2.gz MAAVVUXPXWLCMD-MRXNPFEDSA-N 1 1 396.516 3.090 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178055322 1428958945 /nfs/dbraw/zinc/95/89/45/1428958945.db2.gz BQOCEZNYAUFYSD-PKOBYXMFSA-N 1 1 390.487 3.027 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178055322 1428958954 /nfs/dbraw/zinc/95/89/54/1428958954.db2.gz BQOCEZNYAUFYSD-PKOBYXMFSA-N 1 1 390.487 3.027 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000126959669 1415618694 /nfs/dbraw/zinc/61/86/94/1415618694.db2.gz NKNSZPFKSHMMGS-HNNXBMFYSA-N 1 1 383.423 3.322 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000126959669 1415618700 /nfs/dbraw/zinc/61/87/00/1415618700.db2.gz NKNSZPFKSHMMGS-HNNXBMFYSA-N 1 1 383.423 3.322 20 30 GGEDMO COc1ccc(C#N)cc1CN1CCC[N@H+](Cc2cc(C#N)ccc2OC)CC1 ZINC000126962047 1415619267 /nfs/dbraw/zinc/61/92/67/1415619267.db2.gz VMIDESZAYWNNLO-UHFFFAOYSA-N 1 1 390.487 3.155 20 30 GGEDMO COc1ccc(C#N)cc1CN1CCC[N@@H+](Cc2cc(C#N)ccc2OC)CC1 ZINC000126962047 1415619273 /nfs/dbraw/zinc/61/92/73/1415619273.db2.gz VMIDESZAYWNNLO-UHFFFAOYSA-N 1 1 390.487 3.155 20 30 GGEDMO C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000126976093 1415622825 /nfs/dbraw/zinc/62/28/25/1415622825.db2.gz XGDWTWPSWCBZNE-MAUKXSAKSA-N 1 1 381.501 3.158 20 30 GGEDMO C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000126976093 1415622832 /nfs/dbraw/zinc/62/28/32/1415622832.db2.gz XGDWTWPSWCBZNE-MAUKXSAKSA-N 1 1 381.501 3.158 20 30 GGEDMO COc1ccc(Cl)cc1CN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000127039048 1415645438 /nfs/dbraw/zinc/64/54/38/1415645438.db2.gz RVRMKLQXAQKPAV-FQEVSTJZSA-N 1 1 385.895 3.071 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178063736 1428964643 /nfs/dbraw/zinc/96/46/43/1428964643.db2.gz UMKSFPHYWJGANH-SFHVURJKSA-N 1 1 390.487 3.029 20 30 GGEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000127237103 1415698619 /nfs/dbraw/zinc/69/86/19/1415698619.db2.gz QQOVWHJESMKSGN-GASCZTMLSA-N 1 1 391.462 3.188 20 30 GGEDMO C=C(C)COc1cc(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1OC ZINC000127274939 1415713391 /nfs/dbraw/zinc/71/33/91/1415713391.db2.gz QBBGLANEVOQZEZ-QFIPXVFZSA-N 1 1 396.531 3.159 20 30 GGEDMO C=C(C)COc1cc(CNC[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1OC ZINC000127274939 1415713403 /nfs/dbraw/zinc/71/34/03/1415713403.db2.gz QBBGLANEVOQZEZ-QFIPXVFZSA-N 1 1 396.531 3.159 20 30 GGEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000127285878 1415719270 /nfs/dbraw/zinc/71/92/70/1415719270.db2.gz KLMMEECTYVWCTL-ZDUSSCGKSA-N 1 1 387.833 3.327 20 30 GGEDMO N#CC1(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CCCCC1 ZINC000127293116 1415721985 /nfs/dbraw/zinc/72/19/85/1415721985.db2.gz PGWQYCJQRKYQRD-UHFFFAOYSA-N 1 1 380.492 3.386 20 30 GGEDMO Cc1ccc(C[NH+]2CCSCC2)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000127316702 1415733778 /nfs/dbraw/zinc/73/37/78/1415733778.db2.gz IMMNHNKHXODCJD-UHFFFAOYSA-N 1 1 387.530 3.216 20 30 GGEDMO C#CCC[NH+]1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000127370609 1415755640 /nfs/dbraw/zinc/75/56/40/1415755640.db2.gz YBRCZIRROOIPCZ-UHFFFAOYSA-N 1 1 379.529 3.417 20 30 GGEDMO N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178126839 1428991498 /nfs/dbraw/zinc/99/14/98/1428991498.db2.gz UTWBJBFHSSEDAZ-FQEVSTJZSA-N 1 1 380.536 3.252 20 30 GGEDMO C#CCCOc1ccc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000127509554 1415802499 /nfs/dbraw/zinc/80/24/99/1415802499.db2.gz QLEDGAYWEVYRMA-OAQYLSRUSA-N 1 1 391.515 3.398 20 30 GGEDMO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000128025623 1415895398 /nfs/dbraw/zinc/89/53/98/1415895398.db2.gz VMRHRUULTBQRMZ-IBGZPJMESA-N 1 1 388.515 3.044 20 30 GGEDMO CO/N=C/c1ccc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000178240770 1429028814 /nfs/dbraw/zinc/02/88/14/1429028814.db2.gz MMVURFNFAZKHGD-FPTXZJODSA-N 1 1 387.524 3.018 20 30 GGEDMO CCC1(CO)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000128123827 1415918280 /nfs/dbraw/zinc/91/82/80/1415918280.db2.gz AHGRKYPXBPMNFX-UHFFFAOYSA-N 1 1 398.507 3.041 20 30 GGEDMO CCC1(CO)CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000128156525 1415927660 /nfs/dbraw/zinc/92/76/60/1415927660.db2.gz KXYSBMZFKVAJNT-MRXNPFEDSA-N 1 1 375.538 3.361 20 30 GGEDMO C=C(Cl)COc1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128212184 1415940027 /nfs/dbraw/zinc/94/00/27/1415940027.db2.gz DIHBWCGUQYXBNE-AEFFLSMTSA-N 1 1 379.932 3.056 20 30 GGEDMO C=C(Cl)COc1ccc([C@@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128212184 1415940036 /nfs/dbraw/zinc/94/00/36/1415940036.db2.gz DIHBWCGUQYXBNE-AEFFLSMTSA-N 1 1 379.932 3.056 20 30 GGEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)nc1 ZINC000128358655 1415970746 /nfs/dbraw/zinc/97/07/46/1415970746.db2.gz KQXIGOKFADRRKP-LJQANCHMSA-N 1 1 378.476 3.381 20 30 GGEDMO CC(C)(C)[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000128768089 1416063820 /nfs/dbraw/zinc/06/38/20/1416063820.db2.gz ZQLWMDHOROGLIB-CHWWFWEZSA-N 1 1 377.452 3.155 20 30 GGEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COc2ccc(C#N)cc2F)CC1 ZINC000178342737 1429055763 /nfs/dbraw/zinc/05/57/63/1429055763.db2.gz YWIBPFCNIAWXIU-UHFFFAOYSA-N 1 1 381.451 3.119 20 30 GGEDMO N#Cc1cccc(OCCC[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000178296832 1429045193 /nfs/dbraw/zinc/04/51/93/1429045193.db2.gz ZGCUUTBOMLMCNI-UHFFFAOYSA-N 1 1 381.451 3.314 20 30 GGEDMO CN1CC[NH+](CCOc2ccc(NC3CC(C#N)(c4ccccc4)C3)cc2)CC1 ZINC000129110125 1416147377 /nfs/dbraw/zinc/14/73/77/1416147377.db2.gz VVECVKKTNRWHGI-UHFFFAOYSA-N 1 1 390.531 3.349 20 30 GGEDMO C=CCOc1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1Cl ZINC000129272370 1416183449 /nfs/dbraw/zinc/18/34/49/1416183449.db2.gz QZTMWJMTIHBGQA-UHFFFAOYSA-N 1 1 391.943 3.035 20 30 GGEDMO COc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1OCCCC#N ZINC000129493021 1416218446 /nfs/dbraw/zinc/21/84/46/1416218446.db2.gz QJSRFGVEKFLKCG-UHFFFAOYSA-N 1 1 385.430 3.448 20 30 GGEDMO COc1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1OCCCC#N ZINC000129493021 1416218450 /nfs/dbraw/zinc/21/84/50/1416218450.db2.gz QJSRFGVEKFLKCG-UHFFFAOYSA-N 1 1 385.430 3.448 20 30 GGEDMO CC(C)OC(=O)[C@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000129619087 1416237886 /nfs/dbraw/zinc/23/78/86/1416237886.db2.gz XOYXOCAQHUHLQN-ZDUSSCGKSA-N 1 1 377.510 3.099 20 30 GGEDMO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000129619087 1416237889 /nfs/dbraw/zinc/23/78/89/1416237889.db2.gz XOYXOCAQHUHLQN-ZDUSSCGKSA-N 1 1 377.510 3.099 20 30 GGEDMO CCOc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000129654449 1416243781 /nfs/dbraw/zinc/24/37/81/1416243781.db2.gz UDJLFGUNVLBHDL-UHFFFAOYSA-N 1 1 379.464 3.092 20 30 GGEDMO CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000129654449 1416243787 /nfs/dbraw/zinc/24/37/87/1416243787.db2.gz UDJLFGUNVLBHDL-UHFFFAOYSA-N 1 1 379.464 3.092 20 30 GGEDMO C=CCNc1ncc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000129676377 1416247219 /nfs/dbraw/zinc/24/72/19/1416247219.db2.gz RABDUFUIIAWDSY-IYBDPMFKSA-N 1 1 392.569 3.093 20 30 GGEDMO N#CCCn1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000129898108 1416281832 /nfs/dbraw/zinc/28/18/32/1416281832.db2.gz VHYJWYCRJOGQAX-UXHICEINSA-N 1 1 392.507 3.315 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1c(C)cccc1C ZINC000130040603 1416307323 /nfs/dbraw/zinc/30/73/23/1416307323.db2.gz UCXJZWPXNLUJPM-UHFFFAOYSA-N 1 1 378.476 3.464 20 30 GGEDMO CCOCCC1(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCC1 ZINC000130364290 1416365249 /nfs/dbraw/zinc/36/52/49/1416365249.db2.gz DZZSDZCXIRCMTD-UHFFFAOYSA-N 1 1 382.508 3.243 20 30 GGEDMO C#Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000130550869 1416397456 /nfs/dbraw/zinc/39/74/56/1416397456.db2.gz WFANUASHVHDCPC-IBGZPJMESA-N 1 1 379.460 3.081 20 30 GGEDMO C#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)c1 ZINC000130550869 1416397459 /nfs/dbraw/zinc/39/74/59/1416397459.db2.gz WFANUASHVHDCPC-IBGZPJMESA-N 1 1 379.460 3.081 20 30 GGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000178519800 1429096164 /nfs/dbraw/zinc/09/61/64/1429096164.db2.gz LXEFGSZFYJALHP-UHFFFAOYSA-N 1 1 383.517 3.418 20 30 GGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000178519800 1429096172 /nfs/dbraw/zinc/09/61/72/1429096172.db2.gz LXEFGSZFYJALHP-UHFFFAOYSA-N 1 1 383.517 3.418 20 30 GGEDMO C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000130728937 1416436658 /nfs/dbraw/zinc/43/66/58/1416436658.db2.gz BPBOHPNTQONQHA-UHFFFAOYSA-N 1 1 381.476 3.494 20 30 GGEDMO CCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000130755314 1416442842 /nfs/dbraw/zinc/44/28/42/1416442842.db2.gz QRYPPRPYCWEOCB-QGZVFWFLSA-N 1 1 395.503 3.444 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)C(=O)CNc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000130828444 1416461220 /nfs/dbraw/zinc/46/12/20/1416461220.db2.gz LQEOHVBPCJJZEW-GCJKJVERSA-N 1 1 376.504 3.482 20 30 GGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC(=O)NC4(C#N)CCCCC4)C3)nc2c1 ZINC000130851360 1416467893 /nfs/dbraw/zinc/46/78/93/1416467893.db2.gz NICBMFSVTCQKEE-QGZVFWFLSA-N 1 1 379.508 3.393 20 30 GGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC(=O)NC4(C#N)CCCCC4)C3)nc2c1 ZINC000130851360 1416467895 /nfs/dbraw/zinc/46/78/95/1416467895.db2.gz NICBMFSVTCQKEE-QGZVFWFLSA-N 1 1 379.508 3.393 20 30 GGEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CC(=O)NC4(C#N)CCCCC4)C3)[nH]c2c1 ZINC000130851360 1416467897 /nfs/dbraw/zinc/46/78/97/1416467897.db2.gz NICBMFSVTCQKEE-QGZVFWFLSA-N 1 1 379.508 3.393 20 30 GGEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CC(=O)NC4(C#N)CCCCC4)C3)[nH]c2c1 ZINC000130851360 1416467901 /nfs/dbraw/zinc/46/79/01/1416467901.db2.gz NICBMFSVTCQKEE-QGZVFWFLSA-N 1 1 379.508 3.393 20 30 GGEDMO COC(=O)c1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000130859279 1416469335 /nfs/dbraw/zinc/46/93/35/1416469335.db2.gz UPPUALCJPOMFRQ-UHFFFAOYSA-N 1 1 386.455 3.215 20 30 GGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCOCC3CC3)sc2C1 ZINC000130886562 1416475717 /nfs/dbraw/zinc/47/57/17/1416475717.db2.gz VRKRUPMMKCUKCA-CQSZACIVSA-N 1 1 375.538 3.432 20 30 GGEDMO C[N@H+](CCNC(=O)C1CCN(Cc2ccc(C#N)s2)CC1)Cc1ccccc1 ZINC000130907378 1416478824 /nfs/dbraw/zinc/47/88/24/1416478824.db2.gz QTUKWYGXRKBOLP-UHFFFAOYSA-N 1 1 396.560 3.080 20 30 GGEDMO C[N@@H+](CCNC(=O)C1CCN(Cc2ccc(C#N)s2)CC1)Cc1ccccc1 ZINC000130907378 1416478827 /nfs/dbraw/zinc/47/88/27/1416478827.db2.gz QTUKWYGXRKBOLP-UHFFFAOYSA-N 1 1 396.560 3.080 20 30 GGEDMO CN(CCC#N)C(=O)CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000130944471 1416485533 /nfs/dbraw/zinc/48/55/33/1416485533.db2.gz ZZUULGZKNAYQRN-UHFFFAOYSA-N 1 1 390.531 3.156 20 30 GGEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000131082563 1416506150 /nfs/dbraw/zinc/50/61/50/1416506150.db2.gz KRSSZUOZYOOULB-FQEVSTJZSA-N 1 1 398.551 3.479 20 30 GGEDMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3cccc(C#N)c3C)C2)cc(OC)c1 ZINC000178542169 1429102399 /nfs/dbraw/zinc/10/23/99/1429102399.db2.gz MNLOHGWDDQHLDO-GOSISDBHSA-N 1 1 394.475 3.280 20 30 GGEDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)Nc3cccc(C#N)c3C)C2)cc(OC)c1 ZINC000178542169 1429102406 /nfs/dbraw/zinc/10/24/06/1429102406.db2.gz MNLOHGWDDQHLDO-GOSISDBHSA-N 1 1 394.475 3.280 20 30 GGEDMO CCOc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000131170220 1416518854 /nfs/dbraw/zinc/51/88/54/1416518854.db2.gz WXYJBFMDPQCGGT-QGZVFWFLSA-N 1 1 395.503 3.444 20 30 GGEDMO COCC[N@@H+](C)CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000131192025 1416521797 /nfs/dbraw/zinc/52/17/97/1416521797.db2.gz BHKKUYAREDTTCM-UHFFFAOYSA-N 1 1 387.867 3.312 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000131329374 1416540816 /nfs/dbraw/zinc/54/08/16/1416540816.db2.gz NVYPYWRRKCKPBV-QZTJIDSGSA-N 1 1 386.565 3.339 20 30 GGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131398345 1416551100 /nfs/dbraw/zinc/55/11/00/1416551100.db2.gz WGEDSWOQCHETSK-LSDHHAIUSA-N 1 1 397.548 3.124 20 30 GGEDMO CC[C@H](c1ccncc1)[N@H+](CC)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000131463284 1416561863 /nfs/dbraw/zinc/56/18/63/1416561863.db2.gz APHPEXVQHCYZNJ-HXUWFJFHSA-N 1 1 391.475 3.148 20 30 GGEDMO CC[C@H](c1ccncc1)[N@@H+](CC)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000131463284 1416561865 /nfs/dbraw/zinc/56/18/65/1416561865.db2.gz APHPEXVQHCYZNJ-HXUWFJFHSA-N 1 1 391.475 3.148 20 30 GGEDMO CCOCc1ccccc1CNC(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000131614543 1416585001 /nfs/dbraw/zinc/58/50/01/1416585001.db2.gz OCAIHCXGJHLMPR-UHFFFAOYSA-N 1 1 399.535 3.345 20 30 GGEDMO N#Cc1ccccc1-c1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131653691 1416591171 /nfs/dbraw/zinc/59/11/71/1416591171.db2.gz IBUPGRMCPRWEPT-LJQANCHMSA-N 1 1 377.488 3.192 20 30 GGEDMO Cc1c(C#N)cccc1NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000178579801 1429113161 /nfs/dbraw/zinc/11/31/61/1429113161.db2.gz SAZYPSJDMWGSPQ-UHFFFAOYSA-N 1 1 393.491 3.018 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000131818110 1416627871 /nfs/dbraw/zinc/62/78/71/1416627871.db2.gz WZXUXEGTAAGXDR-GOSISDBHSA-N 1 1 393.487 3.069 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000131827895 1416630561 /nfs/dbraw/zinc/63/05/61/1416630561.db2.gz MPMSVRGZSJMDET-IBGZPJMESA-N 1 1 377.488 3.254 20 30 GGEDMO C[C@H](Sc1ccccn1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000131906008 1416647396 /nfs/dbraw/zinc/64/73/96/1416647396.db2.gz OBSGYNHFRGWQDM-KRWDZBQOSA-N 1 1 380.517 3.168 20 30 GGEDMO C[C@H](Sc1ccccn1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000131906008 1416647411 /nfs/dbraw/zinc/64/74/11/1416647411.db2.gz OBSGYNHFRGWQDM-KRWDZBQOSA-N 1 1 380.517 3.168 20 30 GGEDMO CC(C)C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000178593248 1429115582 /nfs/dbraw/zinc/11/55/82/1429115582.db2.gz QCHQXPLFAQXMST-GOSISDBHSA-N 1 1 398.551 3.476 20 30 GGEDMO N#Cc1ccc(OCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000132023633 1416676316 /nfs/dbraw/zinc/67/63/16/1416676316.db2.gz HRVQHSQWTTWWKL-GMAHTHKFSA-N 1 1 389.499 3.450 20 30 GGEDMO N#Cc1ccccc1OCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000132118901 1416700613 /nfs/dbraw/zinc/70/06/13/1416700613.db2.gz WCSBHWMWPHDASP-YADHBBJMSA-N 1 1 389.499 3.450 20 30 GGEDMO COc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C(C)(C)C)c(OC)c1 ZINC000132214601 1416718513 /nfs/dbraw/zinc/71/85/13/1416718513.db2.gz BNYYWIKFYCLMAH-OAQYLSRUSA-N 1 1 375.513 3.359 20 30 GGEDMO COc1ccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C(C)(C)C)c(OC)c1 ZINC000132214601 1416718516 /nfs/dbraw/zinc/71/85/16/1416718516.db2.gz BNYYWIKFYCLMAH-OAQYLSRUSA-N 1 1 375.513 3.359 20 30 GGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000132221203 1416719431 /nfs/dbraw/zinc/71/94/31/1416719431.db2.gz FJUSHYLUAZPLRV-HRAATJIYSA-N 1 1 375.488 3.250 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000132234503 1416721577 /nfs/dbraw/zinc/72/15/77/1416721577.db2.gz IGHADWVXJYQZKD-SJORKVTESA-N 1 1 388.537 3.124 20 30 GGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000132281456 1416728735 /nfs/dbraw/zinc/72/87/35/1416728735.db2.gz BIIHBLUFJLHRLQ-DLBZAZTESA-N 1 1 388.537 3.267 20 30 GGEDMO C[C@H](CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000132333638 1416738814 /nfs/dbraw/zinc/73/88/14/1416738814.db2.gz UCKUWZUZPSRQKF-LJQANCHMSA-N 1 1 397.544 3.199 20 30 GGEDMO C[C@H](CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000132333638 1416738828 /nfs/dbraw/zinc/73/88/28/1416738828.db2.gz UCKUWZUZPSRQKF-LJQANCHMSA-N 1 1 397.544 3.199 20 30 GGEDMO C[C@H]1C[C@H](N(C)C(=O)COc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000132421265 1416757108 /nfs/dbraw/zinc/75/71/08/1416757108.db2.gz IJFYGFCBNZHTFZ-GHTZIAJQSA-N 1 1 377.488 3.449 20 30 GGEDMO 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SLDZJOUQIOJLIW-OAHLLOKOSA-N 1 1 394.541 3.429 20 30 GGEDMO CC[N@H+]1CC[C@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000139962249 1417483274 /nfs/dbraw/zinc/48/32/74/1417483274.db2.gz NZODLCIJWBTIMA-GOSISDBHSA-N 1 1 379.508 3.152 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000141038741 1417525142 /nfs/dbraw/zinc/52/51/42/1417525142.db2.gz PAZJZTQOCXCMND-CJNGLKHVSA-N 1 1 390.471 3.286 20 30 GGEDMO N#Cc1ccccc1OCC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000141705486 1417551766 /nfs/dbraw/zinc/55/17/66/1417551766.db2.gz WVOKXIKAISVKOM-UHFFFAOYSA-N 1 1 383.879 3.439 20 30 GGEDMO N#Cc1ccccc1OCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000141705486 1417551776 /nfs/dbraw/zinc/55/17/76/1417551776.db2.gz WVOKXIKAISVKOM-UHFFFAOYSA-N 1 1 383.879 3.439 20 30 GGEDMO C=CCc1cc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c(O)c(OC)c1 ZINC000178857084 1429198336 /nfs/dbraw/zinc/19/83/36/1429198336.db2.gz SLNALLQCEFFBHX-UHFFFAOYSA-N 1 1 380.488 3.396 20 30 GGEDMO N#Cc1ccccc1CSCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178858744 1429199264 /nfs/dbraw/zinc/19/92/64/1429199264.db2.gz KSLUMBOFXXZULP-WIYYLYMNSA-N 1 1 398.576 3.450 20 30 GGEDMO N#Cc1ccccc1CSCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178858753 1429199358 /nfs/dbraw/zinc/19/93/58/1429199358.db2.gz KSLUMBOFXXZULP-NQIIRXRSSA-N 1 1 398.576 3.450 20 30 GGEDMO N#Cc1ccccc1CSCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178858770 1429199618 /nfs/dbraw/zinc/19/96/18/1429199618.db2.gz KSLUMBOFXXZULP-RXVVDRJESA-N 1 1 398.576 3.450 20 30 GGEDMO N#Cc1ccccc1CSCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178858760 1429199831 /nfs/dbraw/zinc/19/98/31/1429199831.db2.gz KSLUMBOFXXZULP-GHTZIAJQSA-N 1 1 398.576 3.450 20 30 GGEDMO CN(C(=O)c1cccc(CC#N)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178875875 1429206603 /nfs/dbraw/zinc/20/66/03/1429206603.db2.gz PTVUYSKTPHNFOS-VXKWHMMOSA-N 1 1 382.552 3.162 20 30 GGEDMO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000150757445 1417801103 /nfs/dbraw/zinc/80/11/03/1417801103.db2.gz UUHWMVYXHNWAEO-IBGZPJMESA-N 1 1 398.894 3.137 20 30 GGEDMO N#Cc1ccnc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1[N+](=O)[O-] ZINC000150811179 1417811676 /nfs/dbraw/zinc/81/16/76/1417811676.db2.gz DJKKEEAGWWVOEO-HNNXBMFYSA-N 1 1 387.827 3.297 20 30 GGEDMO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(OCC#N)c2)C[N@H+]1Cc1ccccc1 ZINC000151120556 1417876262 /nfs/dbraw/zinc/87/62/62/1417876262.db2.gz BVNKKHFGGUEVAC-YLJYHZDGSA-N 1 1 378.476 3.051 20 30 GGEDMO C[C@@H]1C[C@H](NC(=O)NCc2cccc(OCC#N)c2)C[N@H+]1Cc1ccccc1 ZINC000151120438 1417876333 /nfs/dbraw/zinc/87/63/33/1417876333.db2.gz BVNKKHFGGUEVAC-XLIONFOSSA-N 1 1 378.476 3.051 20 30 GGEDMO C[C@H]1C[C@@H](NC(=O)NCc2cccc(OCC#N)c2)C[N@H+]1Cc1ccccc1 ZINC000151120617 1417876342 /nfs/dbraw/zinc/87/63/42/1417876342.db2.gz BVNKKHFGGUEVAC-FXAWDEMLSA-N 1 1 378.476 3.051 20 30 GGEDMO Cc1nc(CCNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000151167972 1417886108 /nfs/dbraw/zinc/88/61/08/1417886108.db2.gz YFPMINZTYJKAEI-UHFFFAOYSA-N 1 1 397.548 3.092 20 30 GGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cc(I)cn1 ZINC000151403199 1417951094 /nfs/dbraw/zinc/95/10/94/1417951094.db2.gz AHEVLMNMKUNMHL-UHFFFAOYSA-N 1 1 380.233 3.229 20 30 GGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1cc(I)cn1 ZINC000151403199 1417951106 /nfs/dbraw/zinc/95/11/06/1417951106.db2.gz AHEVLMNMKUNMHL-UHFFFAOYSA-N 1 1 380.233 3.229 20 30 GGEDMO Cc1cc(N2CCC(NC(=O)N[C@@H](CCC#N)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000151447202 1417973862 /nfs/dbraw/zinc/97/38/62/1417973862.db2.gz SUHBHEWBJRZOQU-FQEVSTJZSA-N 1 1 392.507 3.407 20 30 GGEDMO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CO[NH+]=C(N)C2CCOCC2)cc1 ZINC000151617318 1418040886 /nfs/dbraw/zinc/04/08/86/1418040886.db2.gz SAONBYAQAAESFP-IBGZPJMESA-N 1 1 387.524 3.363 20 30 GGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(F)cc1C#N ZINC000151740268 1418075750 /nfs/dbraw/zinc/07/57/50/1418075750.db2.gz VYGNVDIOWMYCBG-HKUYNNGSSA-N 1 1 385.464 3.002 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000151834834 1418097764 /nfs/dbraw/zinc/09/77/64/1418097764.db2.gz UIHBGJZEYFDANG-OAQYLSRUSA-N 1 1 386.540 3.227 20 30 GGEDMO Cc1ccc2c(c1)[C@H](NC(=O)N1CCC[N@@H+](Cc3ccc(C#N)cc3)CC1)CO2 ZINC000152058052 1418132953 /nfs/dbraw/zinc/13/29/53/1418132953.db2.gz YVASGDODWPWOSV-OAQYLSRUSA-N 1 1 390.487 3.218 20 30 GGEDMO CCN(CC)C(=O)c1cccc(NC(=O)CO[NH+]=C(N)C2CCCCCC2)c1 ZINC000179003652 1429240350 /nfs/dbraw/zinc/24/03/50/1429240350.db2.gz MGAHOFCBQKLFPZ-UHFFFAOYSA-N 1 1 388.512 3.366 20 30 GGEDMO COC(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000179147649 1429277796 /nfs/dbraw/zinc/27/77/96/1429277796.db2.gz HPSRLJBMVGCSHP-AWEZNQCLSA-N 1 1 389.521 3.245 20 30 GGEDMO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CCC(=O)N(C)CCC#N)OCCO3 ZINC000179189124 1429290083 /nfs/dbraw/zinc/29/00/83/1429290083.db2.gz HFSWLCOAONNNHT-KRWDZBQOSA-N 1 1 397.519 3.408 20 30 GGEDMO COCc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000179234335 1429301377 /nfs/dbraw/zinc/30/13/77/1429301377.db2.gz FDOGIBRYOJHHED-UHFFFAOYSA-N 1 1 378.432 3.275 20 30 GGEDMO CCC[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@H+]1CCOC ZINC000179281221 1429313283 /nfs/dbraw/zinc/31/32/83/1429313283.db2.gz NZZUQSYNPPZDNB-KRWDZBQOSA-N 1 1 375.517 3.079 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1OCCCC#N ZINC000179344205 1429337079 /nfs/dbraw/zinc/33/70/79/1429337079.db2.gz UEJFXIHHIQZCJH-LJQANCHMSA-N 1 1 385.508 3.116 20 30 GGEDMO COCCO[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000179347019 1429337766 /nfs/dbraw/zinc/33/77/66/1429337766.db2.gz SOSFLSNJHGHSST-SFHVURJKSA-N 1 1 393.915 3.023 20 30 GGEDMO COCCO[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000179347019 1429337773 /nfs/dbraw/zinc/33/77/73/1429337773.db2.gz SOSFLSNJHGHSST-SFHVURJKSA-N 1 1 393.915 3.023 20 30 GGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000179377730 1429349920 /nfs/dbraw/zinc/34/99/20/1429349920.db2.gz IBFLBCDMHHVQSX-UHFFFAOYSA-N 1 1 392.544 3.004 20 30 GGEDMO Cc1oc(NC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000179392456 1429355819 /nfs/dbraw/zinc/35/58/19/1429355819.db2.gz CMJVSYQSHYUXGC-UHFFFAOYSA-N 1 1 395.507 3.340 20 30 GGEDMO Cc1nc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000179473698 1429387224 /nfs/dbraw/zinc/38/72/24/1429387224.db2.gz ZCMWZNDQHTYNBY-DNVCBOLYSA-N 1 1 386.858 3.477 20 30 GGEDMO Cc1nc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000179473698 1429387229 /nfs/dbraw/zinc/38/72/29/1429387229.db2.gz ZCMWZNDQHTYNBY-DNVCBOLYSA-N 1 1 386.858 3.477 20 30 GGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179497791 1429395690 /nfs/dbraw/zinc/39/56/90/1429395690.db2.gz MQKHRAMVZJEDFM-IBQBPIARSA-N 1 1 398.555 3.181 20 30 GGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179497791 1429395699 /nfs/dbraw/zinc/39/56/99/1429395699.db2.gz MQKHRAMVZJEDFM-IBQBPIARSA-N 1 1 398.555 3.181 20 30 GGEDMO C[NH+]1CCN([C@H](C(=O)N[C@H](C#N)c2ccccc2Cl)c2ccccc2)CC1 ZINC000179544848 1429421793 /nfs/dbraw/zinc/42/17/93/1429421793.db2.gz CWMNBYSZRPGGQQ-UXHICEINSA-N 1 1 382.895 3.010 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000179571527 1429441647 /nfs/dbraw/zinc/44/16/47/1429441647.db2.gz WSYCWJBSMJWVGE-MRXNPFEDSA-N 1 1 394.475 3.396 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000179571527 1429441658 /nfs/dbraw/zinc/44/16/58/1429441658.db2.gz WSYCWJBSMJWVGE-MRXNPFEDSA-N 1 1 394.475 3.396 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000179624792 1429476067 /nfs/dbraw/zinc/47/60/67/1429476067.db2.gz GTAOXZGKCDXBKW-OAQYLSRUSA-N 1 1 397.906 3.370 20 30 GGEDMO CCC[C@@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000179638385 1429483903 /nfs/dbraw/zinc/48/39/03/1429483903.db2.gz YBOYQCZVBNDPOJ-LJQANCHMSA-N 1 1 380.496 3.315 20 30 GGEDMO COc1c(F)ccc(F)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000152325191 1422073020 /nfs/dbraw/zinc/07/30/20/1422073020.db2.gz IZUMZRWKWNQKDD-UHFFFAOYSA-N 1 1 385.414 3.193 20 30 GGEDMO COc1c(F)ccc(F)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000152325191 1422073026 /nfs/dbraw/zinc/07/30/26/1422073026.db2.gz IZUMZRWKWNQKDD-UHFFFAOYSA-N 1 1 385.414 3.193 20 30 GGEDMO Cc1cc(N(CCC#N)C(=O)CN(C)C[C@H]2CCC[N@@H+](C)C2)ccc1Cl ZINC000152354365 1422081799 /nfs/dbraw/zinc/08/17/99/1422081799.db2.gz KIFKOZBKKIVJIW-KRWDZBQOSA-N 1 1 376.932 3.169 20 30 GGEDMO C#CCOc1ccc(CNc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)cc1 ZINC000152422488 1422099342 /nfs/dbraw/zinc/09/93/42/1422099342.db2.gz WPUKSQSWQFIAKZ-UHFFFAOYSA-N 1 1 391.515 3.017 20 30 GGEDMO CCOC(=O)N1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000179746236 1429534836 /nfs/dbraw/zinc/53/48/36/1429534836.db2.gz XJMIVLFREPAUTQ-UHFFFAOYSA-N 1 1 381.480 3.128 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 ZINC000152744813 1422234549 /nfs/dbraw/zinc/23/45/49/1422234549.db2.gz IJLGOFRWYBUPTO-GOSISDBHSA-N 1 1 389.565 3.418 20 30 GGEDMO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1C[C@@H]3CCC[C@@H]3C1)CCCC2 ZINC000152773688 1422243605 /nfs/dbraw/zinc/24/36/05/1422243605.db2.gz IAYDYKDASHXLSH-KSZLIROESA-N 1 1 396.535 3.088 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000152780980 1422246317 /nfs/dbraw/zinc/24/63/17/1422246317.db2.gz LPKOBILJTVJHHO-MRXNPFEDSA-N 1 1 393.528 3.363 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000152785434 1422247970 /nfs/dbraw/zinc/24/79/70/1422247970.db2.gz PQPAFLCFCGBZPG-QGZVFWFLSA-N 1 1 375.538 3.223 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cc1ccc(C#N)cc1 ZINC000179756916 1429542527 /nfs/dbraw/zinc/54/25/27/1429542527.db2.gz KTYUVGDKVYCHGG-NRFANRHFSA-N 1 1 377.488 3.319 20 30 GGEDMO C=CCOc1cccc(NC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000152835020 1422265534 /nfs/dbraw/zinc/26/55/34/1422265534.db2.gz BHVOMPKNSPTVHQ-KDURUIRLSA-N 1 1 386.540 3.274 20 30 GGEDMO COc1ccccc1COC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000179760260 1429545119 /nfs/dbraw/zinc/54/51/19/1429545119.db2.gz IHCTVHVWVJYHQS-UHFFFAOYSA-N 1 1 399.535 3.361 20 30 GGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000153021309 1422329837 /nfs/dbraw/zinc/32/98/37/1422329837.db2.gz IIGGAVRQWYZWFA-UHFFFAOYSA-N 1 1 381.520 3.442 20 30 GGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000153021309 1422329845 /nfs/dbraw/zinc/32/98/45/1422329845.db2.gz IIGGAVRQWYZWFA-UHFFFAOYSA-N 1 1 381.520 3.442 20 30 GGEDMO C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C[NH+]1CCOCC1 ZINC000153037800 1422335639 /nfs/dbraw/zinc/33/56/39/1422335639.db2.gz GUCCFIOSXKTZFT-QGZVFWFLSA-N 1 1 394.475 3.440 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000153080390 1422350558 /nfs/dbraw/zinc/35/05/58/1422350558.db2.gz MDSYUUTUZOUNTI-DNVCBOLYSA-N 1 1 380.492 3.140 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)CCc2ccccn2)c1C#N ZINC000153103359 1422357875 /nfs/dbraw/zinc/35/78/75/1422357875.db2.gz LGENISWCYZRGTA-UHFFFAOYSA-N 1 1 387.487 3.474 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)CCc2ccccn2)c1C#N ZINC000153103359 1422357883 /nfs/dbraw/zinc/35/78/83/1422357883.db2.gz LGENISWCYZRGTA-UHFFFAOYSA-N 1 1 387.487 3.474 20 30 GGEDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153254746 1422421760 /nfs/dbraw/zinc/42/17/60/1422421760.db2.gz LEABTAPJDBXPKG-JTQLQIEISA-N 1 1 395.294 3.062 20 30 GGEDMO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153254814 1422422415 /nfs/dbraw/zinc/42/24/15/1422422415.db2.gz LEABTAPJDBXPKG-SNVBAGLBSA-N 1 1 395.294 3.062 20 30 GGEDMO N#CCC[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000153346637 1422483230 /nfs/dbraw/zinc/48/32/30/1422483230.db2.gz GBIOOCZHZRXGIX-YADHBBJMSA-N 1 1 377.488 3.439 20 30 GGEDMO N#CCC[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000153346637 1422483239 /nfs/dbraw/zinc/48/32/39/1422483239.db2.gz GBIOOCZHZRXGIX-YADHBBJMSA-N 1 1 377.488 3.439 20 30 GGEDMO COc1cc(/C=C/C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OCC#N ZINC000153376655 1422504901 /nfs/dbraw/zinc/50/49/01/1422504901.db2.gz WLBLKFXDYHCVMZ-KCKZCELBSA-N 1 1 395.503 3.086 20 30 GGEDMO C=CCn1c(Cc2ccccc2)nn(CN2CC[N@H+](C)C[C@H]2C(C)C)c1=S ZINC000153627091 1422656961 /nfs/dbraw/zinc/65/69/61/1422656961.db2.gz KKNCQBALAKGNEQ-IBGZPJMESA-N 1 1 385.581 3.420 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153676884 1422698695 /nfs/dbraw/zinc/69/86/95/1422698695.db2.gz XUMARBZYMNRWGD-JOCHJYFZSA-N 1 1 396.466 3.156 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153676884 1422698703 /nfs/dbraw/zinc/69/87/03/1422698703.db2.gz XUMARBZYMNRWGD-JOCHJYFZSA-N 1 1 396.466 3.156 20 30 GGEDMO C=C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000153698683 1422709335 /nfs/dbraw/zinc/70/93/35/1422709335.db2.gz LICDWHWDWWAJNH-QFIPXVFZSA-N 1 1 377.532 3.410 20 30 GGEDMO COC(=O)[C@H](C)C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000153755664 1422739081 /nfs/dbraw/zinc/73/90/81/1422739081.db2.gz LBPSSNDYVBQDRV-CYBMUJFWSA-N 1 1 389.521 3.101 20 30 GGEDMO COC(=O)[C@H](C)C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000153755664 1422739093 /nfs/dbraw/zinc/73/90/93/1422739093.db2.gz LBPSSNDYVBQDRV-CYBMUJFWSA-N 1 1 389.521 3.101 20 30 GGEDMO N#Cc1cccc(NCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000153834215 1422787271 /nfs/dbraw/zinc/78/72/71/1422787271.db2.gz NQXYYRBVBBABRI-UHFFFAOYSA-N 1 1 384.430 3.029 20 30 GGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153916922 1422810417 /nfs/dbraw/zinc/81/04/17/1422810417.db2.gz SNBNVDDWBUUILR-CBQOVEMMSA-N 1 1 381.520 3.437 20 30 GGEDMO N#CCc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000153955285 1422816591 /nfs/dbraw/zinc/81/65/91/1422816591.db2.gz XAKDJZYZZZLMIS-UHFFFAOYSA-N 1 1 387.530 3.102 20 30 GGEDMO C[C@H](CNC(=O)Nc1ccccc1SC[C@@H](C)C#N)C[NH+]1CCOCC1 ZINC000153973498 1422819355 /nfs/dbraw/zinc/81/93/55/1422819355.db2.gz VEJPCTMPTZXFFF-JKSUJKDBSA-N 1 1 376.526 3.028 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3c(F)cc(C#N)cc3F)CC2)oc1C ZINC000154191110 1422852834 /nfs/dbraw/zinc/85/28/34/1422852834.db2.gz UDEZZIVQSRVBGQ-UHFFFAOYSA-N 1 1 388.418 3.083 20 30 GGEDMO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccccc1 ZINC000154306686 1422870252 /nfs/dbraw/zinc/87/02/52/1422870252.db2.gz CQWLEDNVSAXDFE-YMPZKCBVSA-N 1 1 378.516 3.346 20 30 GGEDMO Cc1cccc(NC(=O)N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000154629217 1422971818 /nfs/dbraw/zinc/97/18/18/1422971818.db2.gz PJGQOFGUONSCLM-UHFFFAOYSA-N 1 1 391.475 3.045 20 30 GGEDMO N#CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(-c2ccccc2)n1 ZINC000154820674 1423044922 /nfs/dbraw/zinc/04/49/22/1423044922.db2.gz JNVYUOCYISLTNI-FQEVSTJZSA-N 1 1 391.519 3.202 20 30 GGEDMO C=CCc1cc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc(OC)c1O ZINC000154998362 1423104502 /nfs/dbraw/zinc/10/45/02/1423104502.db2.gz SLSBFJGIFFRYRQ-SFHVURJKSA-N 1 1 375.490 3.005 20 30 GGEDMO CC#CCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000155073877 1423146552 /nfs/dbraw/zinc/14/65/52/1423146552.db2.gz FJTBXNAVHRTGLL-UHFFFAOYSA-N 1 1 387.833 3.328 20 30 GGEDMO Cn1cc(C[NH+]2CCN(c3ccccc3F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179867473 1429616994 /nfs/dbraw/zinc/61/69/94/1429616994.db2.gz JCONXUMIQPKEOH-UHFFFAOYSA-N 1 1 375.451 3.420 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1C ZINC000155123621 1423182692 /nfs/dbraw/zinc/18/26/92/1423182692.db2.gz HLZHGLWYJBLIGO-UHFFFAOYSA-N 1 1 398.551 3.225 20 30 GGEDMO COc1ccccc1[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+](C)C ZINC000155163344 1423204670 /nfs/dbraw/zinc/20/46/70/1423204670.db2.gz HQNMMWBSXMAJBD-LJQANCHMSA-N 1 1 381.476 3.143 20 30 GGEDMO COc1ccccc1[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+](C)C ZINC000155163252 1423205153 /nfs/dbraw/zinc/20/51/53/1423205153.db2.gz HQNMMWBSXMAJBD-IBGZPJMESA-N 1 1 381.476 3.143 20 30 GGEDMO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(-c2ccccc2)n1 ZINC000179888725 1429625543 /nfs/dbraw/zinc/62/55/43/1429625543.db2.gz YAZWLYPVIDRKKP-UHFFFAOYSA-N 1 1 375.451 3.420 20 30 GGEDMO COc1cc(N[C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000155201018 1423240624 /nfs/dbraw/zinc/24/06/24/1423240624.db2.gz BZOPYRFNPLPVBF-GOSISDBHSA-N 1 1 394.475 3.090 20 30 GGEDMO COc1cc(N[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000155201018 1423240642 /nfs/dbraw/zinc/24/06/42/1423240642.db2.gz BZOPYRFNPLPVBF-GOSISDBHSA-N 1 1 394.475 3.090 20 30 GGEDMO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(-c2cccs2)n1 ZINC000179888659 1429625744 /nfs/dbraw/zinc/62/57/44/1429625744.db2.gz HNDSXJMSSRORCS-UHFFFAOYSA-N 1 1 381.480 3.482 20 30 GGEDMO CC(C)([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C(=O)NCC1CCCCC1 ZINC000155242183 1423268660 /nfs/dbraw/zinc/26/86/60/1423268660.db2.gz FJNQQUSOHBWKIB-UHFFFAOYSA-N 1 1 390.915 3.215 20 30 GGEDMO COC(=O)c1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)oc1C ZINC000179894684 1429628864 /nfs/dbraw/zinc/62/88/64/1429628864.db2.gz YNNPRJPQMNXFAA-UHFFFAOYSA-N 1 1 378.432 3.279 20 30 GGEDMO COC(=O)c1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)oc1C ZINC000179894684 1429628870 /nfs/dbraw/zinc/62/88/70/1429628870.db2.gz YNNPRJPQMNXFAA-UHFFFAOYSA-N 1 1 378.432 3.279 20 30 GGEDMO CN(C)c1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000155283558 1423299355 /nfs/dbraw/zinc/29/93/55/1423299355.db2.gz WJCIFSGLIWALED-UHFFFAOYSA-N 1 1 391.519 3.042 20 30 GGEDMO COCCCOc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000155285706 1423300394 /nfs/dbraw/zinc/30/03/94/1423300394.db2.gz WGFVVIGUJOIBRO-QHCPKHFHSA-N 1 1 379.504 3.484 20 30 GGEDMO Cc1cccc(C(=O)N2CCC[N@@H+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000155533840 1423404713 /nfs/dbraw/zinc/40/47/13/1423404713.db2.gz UOMGZXLODSEQQJ-UHFFFAOYSA-N 1 1 377.488 3.484 20 30 GGEDMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H](CO)C(C)C)cc1 ZINC000179925761 1429644662 /nfs/dbraw/zinc/64/46/62/1429644662.db2.gz YWPSEGFUGDCDLB-OAQYLSRUSA-N 1 1 381.476 3.024 20 30 GGEDMO COc1ccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](CO)C(C)C)cc1 ZINC000179926630 1429645730 /nfs/dbraw/zinc/64/57/30/1429645730.db2.gz HPIUNLMFZSOSSO-HXUWFJFHSA-N 1 1 399.491 3.234 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000155699213 1423492541 /nfs/dbraw/zinc/49/25/41/1423492541.db2.gz CGPADNAMZCASCS-OALUTQOASA-N 1 1 387.277 3.428 20 30 GGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000155699213 1423492547 /nfs/dbraw/zinc/49/25/47/1423492547.db2.gz CGPADNAMZCASCS-OALUTQOASA-N 1 1 387.277 3.428 20 30 GGEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000155699068 1423492668 /nfs/dbraw/zinc/49/26/68/1423492668.db2.gz CGPADNAMZCASCS-MOPGFXCFSA-N 1 1 387.277 3.428 20 30 GGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000155699068 1423492676 /nfs/dbraw/zinc/49/26/76/1423492676.db2.gz CGPADNAMZCASCS-MOPGFXCFSA-N 1 1 387.277 3.428 20 30 GGEDMO COCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000179939406 1429652769 /nfs/dbraw/zinc/65/27/69/1429652769.db2.gz JEJKPLMANKGAPZ-UHFFFAOYSA-N 1 1 385.471 3.479 20 30 GGEDMO COCC[N@@H+](C)CCCNC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000155957423 1423609462 /nfs/dbraw/zinc/60/94/62/1423609462.db2.gz YBNGSRGEVQBWNI-UHFFFAOYSA-N 1 1 381.476 3.357 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CC2CCOCC2)c1C#N ZINC000156072035 1423660497 /nfs/dbraw/zinc/66/04/97/1423660497.db2.gz PRNFFKWYHRKSDN-UHFFFAOYSA-N 1 1 398.507 3.305 20 30 GGEDMO C[C@H](CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000156169495 1423704370 /nfs/dbraw/zinc/70/43/70/1423704370.db2.gz SIJPPUOGDNBSAL-OAHLLOKOSA-N 1 1 398.894 3.177 20 30 GGEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000156461384 1423813192 /nfs/dbraw/zinc/81/31/92/1423813192.db2.gz SPPMKKBLMMDXBV-INIZCTEOSA-N 1 1 378.476 3.109 20 30 GGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000156461384 1423813194 /nfs/dbraw/zinc/81/31/94/1423813194.db2.gz SPPMKKBLMMDXBV-INIZCTEOSA-N 1 1 378.476 3.109 20 30 GGEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000156468342 1423813947 /nfs/dbraw/zinc/81/39/47/1423813947.db2.gz QCBXKVMTDRFLMG-INIZCTEOSA-N 1 1 378.476 3.109 20 30 GGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000156468342 1423813949 /nfs/dbraw/zinc/81/39/49/1423813949.db2.gz QCBXKVMTDRFLMG-INIZCTEOSA-N 1 1 378.476 3.109 20 30 GGEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000156468467 1423813977 /nfs/dbraw/zinc/81/39/77/1423813977.db2.gz QCBXKVMTDRFLMG-MRXNPFEDSA-N 1 1 378.476 3.109 20 30 GGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000156468467 1423813980 /nfs/dbraw/zinc/81/39/80/1423813980.db2.gz QCBXKVMTDRFLMG-MRXNPFEDSA-N 1 1 378.476 3.109 20 30 GGEDMO CCOC(=O)COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000156485652 1423816681 /nfs/dbraw/zinc/81/66/81/1423816681.db2.gz MRJWFHWHFRCAEL-QFIPXVFZSA-N 1 1 393.487 3.011 20 30 GGEDMO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000156486885 1423817021 /nfs/dbraw/zinc/81/70/21/1423817021.db2.gz YVPUBURLKRHZLK-PGRDOPGGSA-N 1 1 393.487 3.009 20 30 GGEDMO N#Cc1cccc(OCCC[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000156546371 1423826503 /nfs/dbraw/zinc/82/65/03/1423826503.db2.gz OVHUPUYZPUWQRN-UHFFFAOYSA-N 1 1 377.444 3.342 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000156560570 1423828759 /nfs/dbraw/zinc/82/87/59/1423828759.db2.gz XXPDNZYSDSBXDO-PZJWPPBQSA-N 1 1 379.508 3.330 20 30 GGEDMO N#Cc1cccc(NCC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000156597461 1423833928 /nfs/dbraw/zinc/83/39/28/1423833928.db2.gz GTMXGHJNMMIJBH-UHFFFAOYSA-N 1 1 376.504 3.137 20 30 GGEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000156640592 1423839347 /nfs/dbraw/zinc/83/93/47/1423839347.db2.gz XYKIAEODMLHLNX-HXUWFJFHSA-N 1 1 377.488 3.469 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)nc1 ZINC000179986444 1429676345 /nfs/dbraw/zinc/67/63/45/1429676345.db2.gz OEFKLTPPWSYGEP-UHFFFAOYSA-N 1 1 389.415 3.444 20 30 GGEDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000156690264 1423848748 /nfs/dbraw/zinc/84/87/48/1423848748.db2.gz QJLDIRHCDJNNSP-UHFFFAOYSA-N 1 1 392.488 3.498 20 30 GGEDMO C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156929531 1423887767 /nfs/dbraw/zinc/88/77/67/1423887767.db2.gz PFOQXDQHYKZZOG-OIBXWCBGSA-N 1 1 393.531 3.283 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156929531 1423887781 /nfs/dbraw/zinc/88/77/81/1423887781.db2.gz PFOQXDQHYKZZOG-OIBXWCBGSA-N 1 1 393.531 3.283 20 30 GGEDMO C[C@@H]1C[C@@H](N(C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156929531 1423887782 /nfs/dbraw/zinc/88/77/82/1423887782.db2.gz PFOQXDQHYKZZOG-OIBXWCBGSA-N 1 1 393.531 3.283 20 30 GGEDMO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156966478 1423894633 /nfs/dbraw/zinc/89/46/33/1423894633.db2.gz WBGXHTFIFWXUNB-PGRDOPGGSA-N 1 1 376.504 3.482 20 30 GGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000156997171 1423899699 /nfs/dbraw/zinc/89/96/99/1423899699.db2.gz HGYBOMXUSNPIEF-IRXDYDNUSA-N 1 1 377.916 3.439 20 30 GGEDMO C[C@@H]1C[C@H](N(C)CC(=O)NC2(C#N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157002723 1423900284 /nfs/dbraw/zinc/90/02/84/1423900284.db2.gz YWGVMSJVCWWXEC-TZIWHRDSSA-N 1 1 382.552 3.314 20 30 GGEDMO N#CCc1ccc(NC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000157099879 1423925965 /nfs/dbraw/zinc/92/59/65/1423925965.db2.gz TUODZBYTVUNKRP-UHFFFAOYSA-N 1 1 397.910 3.350 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000180002453 1429684389 /nfs/dbraw/zinc/68/43/89/1429684389.db2.gz RYSLGXULMCJSGQ-QGZVFWFLSA-N 1 1 381.451 3.465 20 30 GGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000180002453 1429684396 /nfs/dbraw/zinc/68/43/96/1429684396.db2.gz RYSLGXULMCJSGQ-QGZVFWFLSA-N 1 1 381.451 3.465 20 30 GGEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000157836058 1424099277 /nfs/dbraw/zinc/09/92/77/1424099277.db2.gz PERWJDLTNAGNJS-PXNSSMCTSA-N 1 1 383.517 3.232 20 30 GGEDMO COc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1OCCCC#N ZINC000157924020 1424121515 /nfs/dbraw/zinc/12/15/15/1424121515.db2.gz QYQYCQODYDPPCG-UHFFFAOYSA-N 1 1 381.476 3.406 20 30 GGEDMO N#Cc1ccccc1COc1cccc(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000157942715 1424125431 /nfs/dbraw/zinc/12/54/31/1424125431.db2.gz QSTBDVSXCWCDDE-UHFFFAOYSA-N 1 1 385.471 3.249 20 30 GGEDMO C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000157972918 1424132372 /nfs/dbraw/zinc/13/23/72/1424132372.db2.gz ZIPAJTJAKMJZFN-VBKZILBWSA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000157972918 1424132377 /nfs/dbraw/zinc/13/23/77/1424132377.db2.gz ZIPAJTJAKMJZFN-VBKZILBWSA-N 1 1 399.878 3.453 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000158082096 1424160855 /nfs/dbraw/zinc/16/08/55/1424160855.db2.gz JRUZAUWSCLPGHZ-FOIQADDNSA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000158082096 1424160868 /nfs/dbraw/zinc/16/08/68/1424160868.db2.gz JRUZAUWSCLPGHZ-FOIQADDNSA-N 1 1 380.448 3.191 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000158204575 1424194839 /nfs/dbraw/zinc/19/48/39/1424194839.db2.gz PKYUXOJTWDOUJR-IIBYNOLFSA-N 1 1 394.475 3.500 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000158204575 1424194845 /nfs/dbraw/zinc/19/48/45/1424194845.db2.gz PKYUXOJTWDOUJR-IIBYNOLFSA-N 1 1 394.475 3.500 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000158398118 1424245026 /nfs/dbraw/zinc/24/50/26/1424245026.db2.gz JFFQJYBCXMXLHH-QRWLVFNGSA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000158398118 1424245030 /nfs/dbraw/zinc/24/50/30/1424245030.db2.gz JFFQJYBCXMXLHH-QRWLVFNGSA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158484032 1424269837 /nfs/dbraw/zinc/26/98/37/1424269837.db2.gz AJYDAMJZCQSOQF-ZHRRBRCNSA-N 1 1 398.507 3.218 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158484032 1424269840 /nfs/dbraw/zinc/26/98/40/1424269840.db2.gz AJYDAMJZCQSOQF-ZHRRBRCNSA-N 1 1 398.507 3.218 20 30 GGEDMO C=C[C@H](CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000158638539 1424307123 /nfs/dbraw/zinc/30/71/23/1424307123.db2.gz YIZAOZLRKNCBES-WIYYLYMNSA-N 1 1 377.488 3.435 20 30 GGEDMO C=C[C@H](CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1 ZINC000158638539 1424307132 /nfs/dbraw/zinc/30/71/32/1424307132.db2.gz YIZAOZLRKNCBES-WIYYLYMNSA-N 1 1 377.488 3.435 20 30 GGEDMO C=CCOc1ccc(/C=C/C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1OC ZINC000158754508 1424335049 /nfs/dbraw/zinc/33/50/49/1424335049.db2.gz XBNMWLLTKQIQEA-SOFGYWHQSA-N 1 1 393.487 3.325 20 30 GGEDMO N#Cc1ccccc1COc1cccc(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000158832965 1424353321 /nfs/dbraw/zinc/35/33/21/1424353321.db2.gz LXVVFINMONDDAW-UHFFFAOYSA-N 1 1 385.471 3.249 20 30 GGEDMO C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000159242273 1424456083 /nfs/dbraw/zinc/45/60/83/1424456083.db2.gz SOVMAUCETYKDIT-QRWLVFNGSA-N 1 1 380.448 3.191 20 30 GGEDMO C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000159242273 1424456089 /nfs/dbraw/zinc/45/60/89/1424456089.db2.gz SOVMAUCETYKDIT-QRWLVFNGSA-N 1 1 380.448 3.191 20 30 GGEDMO C[NH+]1CCN([C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000159290134 1424474359 /nfs/dbraw/zinc/47/43/59/1424474359.db2.gz BEICBDDMLPGYKQ-PMACEKPBSA-N 1 1 382.895 3.010 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000159497454 1424508422 /nfs/dbraw/zinc/50/84/22/1424508422.db2.gz ZZIZZNOKFKVEIB-FPOVZHCZSA-N 1 1 394.519 3.056 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCC[C@@H]1O ZINC000159847186 1424543842 /nfs/dbraw/zinc/54/38/42/1424543842.db2.gz LZFXDNMXSHVKFJ-YOEHRIQHSA-N 1 1 375.538 3.310 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000159944244 1424554844 /nfs/dbraw/zinc/55/48/44/1424554844.db2.gz OZQDQUCRLXSXLD-UTKZUKDTSA-N 1 1 392.503 3.387 20 30 GGEDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000159999775 1424561924 /nfs/dbraw/zinc/56/19/24/1424561924.db2.gz SNGHMFRSONTZBG-PXNSSMCTSA-N 1 1 383.517 3.232 20 30 GGEDMO COc1c(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c(C)nn1C ZINC000160120520 1424576756 /nfs/dbraw/zinc/57/67/56/1424576756.db2.gz NBOVEZXIQISKEK-UHFFFAOYSA-N 1 1 376.460 3.478 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000160205465 1424586985 /nfs/dbraw/zinc/58/69/85/1424586985.db2.gz BIFPNNCLBFEVPT-VBKZILBWSA-N 1 1 398.438 3.330 20 30 GGEDMO C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000160205465 1424586989 /nfs/dbraw/zinc/58/69/89/1424586989.db2.gz BIFPNNCLBFEVPT-VBKZILBWSA-N 1 1 398.438 3.330 20 30 GGEDMO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000160605617 1424618920 /nfs/dbraw/zinc/61/89/20/1424618920.db2.gz JPURETNOISXHAG-ZETCQYMHSA-N 1 1 392.271 3.219 20 30 GGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160664846 1424624672 /nfs/dbraw/zinc/62/46/72/1424624672.db2.gz FCBZPXJQFIXQSQ-VWPQPMDRSA-N 1 1 397.567 3.231 20 30 GGEDMO CC(C)n1cc(C#N)c(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000161191151 1424665543 /nfs/dbraw/zinc/66/55/43/1424665543.db2.gz MNSRXLHSMCMNRR-HZPDHXFCSA-N 1 1 381.480 3.197 20 30 GGEDMO C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000161341199 1424680078 /nfs/dbraw/zinc/68/00/78/1424680078.db2.gz SQBMHMYUSPEDIE-SFHVURJKSA-N 1 1 393.462 3.039 20 30 GGEDMO C[C@H]1C[C@@H](N(C)C(=O)CNc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000161486757 1424694387 /nfs/dbraw/zinc/69/43/87/1424694387.db2.gz ZJGNDNBDMJJGPO-AVRDEDQJSA-N 1 1 376.504 3.482 20 30 GGEDMO C#CCOc1cccc(NC(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)c1 ZINC000161533693 1424702648 /nfs/dbraw/zinc/70/26/48/1424702648.db2.gz XMOPZSSVCIMBFJ-UHFFFAOYSA-N 1 1 387.524 3.301 20 30 GGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CNc1cccc(C#N)c1 ZINC000161565799 1424713144 /nfs/dbraw/zinc/71/31/44/1424713144.db2.gz IWQPNSJJMDEKOS-NRFANRHFSA-N 1 1 392.503 3.189 20 30 GGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)COc1ccc(C#N)cc1 ZINC000161683531 1424739586 /nfs/dbraw/zinc/73/95/86/1424739586.db2.gz SAGUJMDEQJRKDG-HXUWFJFHSA-N 1 1 393.487 3.156 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180132382 1429751563 /nfs/dbraw/zinc/75/15/63/1429751563.db2.gz QLXYNFFMONOLJA-GOSISDBHSA-N 1 1 393.535 3.333 20 30 GGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000161959947 1424803788 /nfs/dbraw/zinc/80/37/88/1424803788.db2.gz GXOAEGPTRDSFOS-GOSISDBHSA-N 1 1 381.476 3.438 20 30 GGEDMO CC(C)(O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162571969 1424867808 /nfs/dbraw/zinc/86/78/08/1424867808.db2.gz PTWKUXWSQMBTLH-KRWDZBQOSA-N 1 1 375.538 3.453 20 30 GGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)c1C#N ZINC000162586736 1424869163 /nfs/dbraw/zinc/86/91/63/1424869163.db2.gz BITCJXRUKYYPOX-LJQANCHMSA-N 1 1 398.482 3.279 20 30 GGEDMO COC(=O)[C@@H](c1ccccc1C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000162724675 1424885138 /nfs/dbraw/zinc/88/51/38/1424885138.db2.gz KUDLCSSRSVXKFY-JOCHJYFZSA-N 1 1 377.488 3.289 20 30 GGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1CO ZINC000162924608 1424907349 /nfs/dbraw/zinc/90/73/49/1424907349.db2.gz IILULSCAZPAZOV-RHSMWYFYSA-N 1 1 375.538 3.310 20 30 GGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000163016896 1424923981 /nfs/dbraw/zinc/92/39/81/1424923981.db2.gz VONQPIWVFUQNQG-OAQYLSRUSA-N 1 1 391.515 3.396 20 30 GGEDMO COc1cc(/C=C/C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1OCC#N ZINC000163338595 1424981116 /nfs/dbraw/zinc/98/11/16/1424981116.db2.gz WLCZABOOWFQYCK-XSBJJCPUSA-N 1 1 385.508 3.095 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNc1cccc(C#N)c1 ZINC000163695299 1425035253 /nfs/dbraw/zinc/03/52/53/1425035253.db2.gz OWIJTEAVEYJFSP-NRFANRHFSA-N 1 1 376.504 3.341 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000164029337 1425069641 /nfs/dbraw/zinc/06/96/41/1425069641.db2.gz QTOOBNAPEFMDNS-UHFFFAOYSA-N 1 1 388.924 3.420 20 30 GGEDMO C=CCc1cc(OC)cc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c1O ZINC000164045582 1425071169 /nfs/dbraw/zinc/07/11/69/1425071169.db2.gz QIQHUCJBEMTBPG-UHFFFAOYSA-N 1 1 380.488 3.396 20 30 GGEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000164279448 1425094501 /nfs/dbraw/zinc/09/45/01/1425094501.db2.gz SSXBNYAXISWYLF-XLIONFOSSA-N 1 1 379.460 3.287 20 30 GGEDMO COc1ccc(-n2ccc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)n2)cc1 ZINC000180170265 1429778791 /nfs/dbraw/zinc/77/87/91/1429778791.db2.gz CYOCXFDJHIYQFZ-UHFFFAOYSA-N 1 1 398.470 3.443 20 30 GGEDMO C=CCn1c(-c2ccncc2)nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1=S ZINC000164659507 1425132837 /nfs/dbraw/zinc/13/28/37/1425132837.db2.gz GBFUFKVXRIDQNL-MSOLQXFVSA-N 1 1 384.553 3.036 20 30 GGEDMO C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1=S ZINC000164664567 1425133196 /nfs/dbraw/zinc/13/31/96/1425133196.db2.gz DNTRVTBZBFAZCO-MOPGFXCFSA-N 1 1 398.580 3.426 20 30 GGEDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)c1 ZINC000164937731 1425152444 /nfs/dbraw/zinc/15/24/44/1425152444.db2.gz RFVSGEVAUPNEBR-UHFFFAOYSA-N 1 1 379.464 3.403 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000165065197 1425161398 /nfs/dbraw/zinc/16/13/98/1425161398.db2.gz SITBCBAEQRZXFX-FPOVZHCZSA-N 1 1 396.535 3.449 20 30 GGEDMO CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000165539072 1425184602 /nfs/dbraw/zinc/18/46/02/1425184602.db2.gz URKLEROSDDHMHG-SFTDATJTSA-N 1 1 383.540 3.359 20 30 GGEDMO CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000165538930 1425185128 /nfs/dbraw/zinc/18/51/28/1425185128.db2.gz URKLEROSDDHMHG-RTWAWAEBSA-N 1 1 383.540 3.359 20 30 GGEDMO COC(=O)C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000165691198 1425192449 /nfs/dbraw/zinc/19/24/49/1425192449.db2.gz NRLXHGRAIZSHDZ-AWEZNQCLSA-N 1 1 389.521 3.245 20 30 GGEDMO CCN1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2)CC1 ZINC000165719357 1425194030 /nfs/dbraw/zinc/19/40/30/1425194030.db2.gz VPCITPXEAZVMJM-UHFFFAOYSA-N 1 1 379.464 3.216 20 30 GGEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000170652750 1425278485 /nfs/dbraw/zinc/27/84/85/1425278485.db2.gz KFQPBZKNVMZJBU-QGZVFWFLSA-N 1 1 386.496 3.218 20 30 GGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000170758176 1425329096 /nfs/dbraw/zinc/32/90/96/1425329096.db2.gz VKZLEGGFECIGEO-ROUUACIJSA-N 1 1 386.540 3.366 20 30 GGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170758174 1425329146 /nfs/dbraw/zinc/32/91/46/1425329146.db2.gz VKZLEGGFECIGEO-HDICACEKSA-N 1 1 386.540 3.366 20 30 GGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170758174 1425329153 /nfs/dbraw/zinc/32/91/53/1425329153.db2.gz VKZLEGGFECIGEO-HDICACEKSA-N 1 1 386.540 3.366 20 30 GGEDMO CN(C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000170918956 1425392303 /nfs/dbraw/zinc/39/23/03/1425392303.db2.gz HZOFUGILPPMBOE-QGZVFWFLSA-N 1 1 386.496 3.076 20 30 GGEDMO N#Cc1ccc(N2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000170958439 1425415946 /nfs/dbraw/zinc/41/59/46/1425415946.db2.gz FBRJVLWEVJIYEF-UHFFFAOYSA-N 1 1 376.382 3.173 20 30 GGEDMO N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000171023409 1425442821 /nfs/dbraw/zinc/44/28/21/1425442821.db2.gz SQIZDRUEXNWBBL-KRWDZBQOSA-N 1 1 380.473 3.179 20 30 GGEDMO N#Cc1ccc(CN2C(=O)CN(C[N@H+]3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000171023409 1425442826 /nfs/dbraw/zinc/44/28/26/1425442826.db2.gz SQIZDRUEXNWBBL-KRWDZBQOSA-N 1 1 380.473 3.179 20 30 GGEDMO N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000171023412 1425443166 /nfs/dbraw/zinc/44/31/66/1425443166.db2.gz SQIZDRUEXNWBBL-QGZVFWFLSA-N 1 1 380.473 3.179 20 30 GGEDMO N#Cc1ccc(CN2C(=O)CN(C[N@H+]3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000171023412 1425443168 /nfs/dbraw/zinc/44/31/68/1425443168.db2.gz SQIZDRUEXNWBBL-QGZVFWFLSA-N 1 1 380.473 3.179 20 30 GGEDMO Cc1ccc(N2CCC(C(=O)Nc3ncccc3OCCCC#N)CC2)[nH+]c1 ZINC000171057044 1425459231 /nfs/dbraw/zinc/45/92/31/1425459231.db2.gz CCMGAAVLLJYDAS-UHFFFAOYSA-N 1 1 379.464 3.323 20 30 GGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000171112188 1425489603 /nfs/dbraw/zinc/48/96/03/1425489603.db2.gz LJEBEFMWUZYSEQ-KRWDZBQOSA-N 1 1 390.487 3.159 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000171112990 1425489823 /nfs/dbraw/zinc/48/98/23/1425489823.db2.gz RMQINZAZAYROFX-QGZVFWFLSA-N 1 1 390.487 3.301 20 30 GGEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)c2C1 ZINC000171192462 1425532279 /nfs/dbraw/zinc/53/22/79/1425532279.db2.gz SUQBVQGMHSUROS-UHFFFAOYSA-N 1 1 390.487 3.288 20 30 GGEDMO N#Cc1ccccc1CN1C(=O)CN(C[N@@H+](CC2CC2)C2CCCCC2)C1=O ZINC000171214566 1425543615 /nfs/dbraw/zinc/54/36/15/1425543615.db2.gz HDMGBPJLAVOYCI-UHFFFAOYSA-N 1 1 380.492 3.325 20 30 GGEDMO Cc1oc(NC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccccc3)CC2)c(C#N)c1C ZINC000171225699 1425549528 /nfs/dbraw/zinc/54/95/28/1425549528.db2.gz PGQGNWAOKQZENB-QGZVFWFLSA-N 1 1 380.492 3.303 20 30 GGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000171315779 1425613482 /nfs/dbraw/zinc/61/34/82/1425613482.db2.gz REAIWWNBLLOSDF-UHFFFAOYSA-N 1 1 386.459 3.322 20 30 GGEDMO N#Cc1ccc(CN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C2CC2)cc1 ZINC000171317481 1425614328 /nfs/dbraw/zinc/61/43/28/1425614328.db2.gz VQZQRVFQGWAERC-UHFFFAOYSA-N 1 1 380.517 3.352 20 30 GGEDMO N#Cc1ccc(CN(C(=O)NCC[N@H+]2CCc3sccc3C2)C2CC2)cc1 ZINC000171317481 1425614331 /nfs/dbraw/zinc/61/43/31/1425614331.db2.gz VQZQRVFQGWAERC-UHFFFAOYSA-N 1 1 380.517 3.352 20 30 GGEDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)c1 ZINC000171588819 1425749814 /nfs/dbraw/zinc/74/98/14/1425749814.db2.gz WEVHBZJOOUVWSF-ZGKFYVQTSA-N 1 1 375.472 3.485 20 30 GGEDMO CCC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611261 1425758120 /nfs/dbraw/zinc/75/81/20/1425758120.db2.gz OECPALCKRQVLBP-OAHLLOKOSA-N 1 1 392.525 3.280 20 30 GGEDMO CCC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611261 1425758132 /nfs/dbraw/zinc/75/81/32/1425758132.db2.gz OECPALCKRQVLBP-OAHLLOKOSA-N 1 1 392.525 3.280 20 30 GGEDMO COc1cccc([C@H](C)[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000171706705 1425796616 /nfs/dbraw/zinc/79/66/16/1425796616.db2.gz KLHZVWBQPIAJST-ROUUACIJSA-N 1 1 392.503 3.273 20 30 GGEDMO COc1cccc([C@@H](C)[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000171706708 1425797527 /nfs/dbraw/zinc/79/75/27/1425797527.db2.gz KLHZVWBQPIAJST-MSOLQXFVSA-N 1 1 392.503 3.273 20 30 GGEDMO COc1cccc([C@@H](C)[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000171706716 1425797627 /nfs/dbraw/zinc/79/76/27/1425797627.db2.gz KLHZVWBQPIAJST-QZTJIDSGSA-N 1 1 392.503 3.273 20 30 GGEDMO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)c2)c1 ZINC000171890953 1425845117 /nfs/dbraw/zinc/84/51/17/1425845117.db2.gz UFHNXXSKSHQRLU-HXUWFJFHSA-N 1 1 389.459 3.122 20 30 GGEDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000171956153 1425860950 /nfs/dbraw/zinc/86/09/50/1425860950.db2.gz UCGZUGWXBNJBLU-ZDUSSCGKSA-N 1 1 394.903 3.385 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000171962369 1425862602 /nfs/dbraw/zinc/86/26/02/1425862602.db2.gz ZBPQKEMYENUSOI-IBGZPJMESA-N 1 1 396.878 3.278 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)C1 ZINC000172054757 1425883935 /nfs/dbraw/zinc/88/39/35/1425883935.db2.gz SSQGDOYMLSVZSA-AEFFLSMTSA-N 1 1 389.544 3.373 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C[C@H]1CCCO1 ZINC000172173989 1425932754 /nfs/dbraw/zinc/93/27/54/1425932754.db2.gz AHRGRWGXBNFDLP-QGZVFWFLSA-N 1 1 384.480 3.057 20 30 GGEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C[C@H]1CCCO1 ZINC000172173989 1425932765 /nfs/dbraw/zinc/93/27/65/1425932765.db2.gz AHRGRWGXBNFDLP-QGZVFWFLSA-N 1 1 384.480 3.057 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172580701 1426096689 /nfs/dbraw/zinc/09/66/89/1426096689.db2.gz YQCJBMSACFEGBA-SFHVURJKSA-N 1 1 386.515 3.411 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@H+](C3CCCC3)CC1)CCC2 ZINC000172583586 1426097644 /nfs/dbraw/zinc/09/76/44/1426097644.db2.gz OTLPNLZUOWBUJO-UHFFFAOYSA-N 1 1 386.565 3.387 20 30 GGEDMO COc1cc(C#N)ccc1OCCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000172646973 1426124736 /nfs/dbraw/zinc/12/47/36/1426124736.db2.gz ANEXTTDHEYWIBG-VMPITWQZSA-N 1 1 377.488 3.277 20 30 GGEDMO COc1cc(C#N)ccc1OCC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000172646973 1426124740 /nfs/dbraw/zinc/12/47/40/1426124740.db2.gz ANEXTTDHEYWIBG-VMPITWQZSA-N 1 1 377.488 3.277 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000172648651 1426126712 /nfs/dbraw/zinc/12/67/12/1426126712.db2.gz RTOYILLSLYDGJC-GOSISDBHSA-N 1 1 379.460 3.296 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000172674774 1426138288 /nfs/dbraw/zinc/13/82/88/1426138288.db2.gz CYFVFYCAWSGLAB-UHFFFAOYSA-N 1 1 397.544 3.399 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000172700074 1426150266 /nfs/dbraw/zinc/15/02/66/1426150266.db2.gz NLEAGFMYVKGCKB-IBGZPJMESA-N 1 1 392.503 3.395 20 30 GGEDMO COc1cc(-c2noc(CO[NH+]=C(N)C3CCCC3)n2)ccc1OC(F)F ZINC000172713086 1426155405 /nfs/dbraw/zinc/15/54/05/1426155405.db2.gz LIINBWSAVHBXCC-UHFFFAOYSA-N 1 1 382.367 3.326 20 30 GGEDMO CN(C(=O)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000172718853 1426158584 /nfs/dbraw/zinc/15/85/84/1426158584.db2.gz CSZBKTRUAAHIQJ-NRFANRHFSA-N 1 1 390.487 3.171 20 30 GGEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000172950622 1426281745 /nfs/dbraw/zinc/28/17/45/1426281745.db2.gz MFBLTDJBIGOOSQ-YLJYHZDGSA-N 1 1 391.496 3.304 20 30 GGEDMO CCn1nc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1Cl ZINC000173000235 1426302862 /nfs/dbraw/zinc/30/28/62/1426302862.db2.gz JDHDEVKLWYDMFS-UHFFFAOYSA-N 1 1 385.899 3.085 20 30 GGEDMO CCn1nc(C)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1Cl ZINC000173000235 1426302867 /nfs/dbraw/zinc/30/28/67/1426302867.db2.gz JDHDEVKLWYDMFS-UHFFFAOYSA-N 1 1 385.899 3.085 20 30 GGEDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000173121044 1426351655 /nfs/dbraw/zinc/35/16/55/1426351655.db2.gz YKQZNPRQLBTDCN-UHFFFAOYSA-N 1 1 382.464 3.440 20 30 GGEDMO C[C@H](c1ccc(NC(=O)NCc2cc(C#N)ccc2F)cc1)[NH+]1CCOCC1 ZINC000173137507 1426359802 /nfs/dbraw/zinc/35/98/02/1426359802.db2.gz GBZFLGTWBTVYCD-OAHLLOKOSA-N 1 1 382.439 3.412 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000173223554 1426407056 /nfs/dbraw/zinc/40/70/56/1426407056.db2.gz YNICYPLBHAOVDZ-QFIPXVFZSA-N 1 1 397.544 3.232 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000173222935 1426407346 /nfs/dbraw/zinc/40/73/46/1426407346.db2.gz MVRFPGDLYVWWCB-OAQYLSRUSA-N 1 1 397.544 3.399 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000173224192 1426408281 /nfs/dbraw/zinc/40/82/81/1426408281.db2.gz YUOPOOLBYKVQBU-OAQYLSRUSA-N 1 1 397.544 3.399 20 30 GGEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000173306045 1426487094 /nfs/dbraw/zinc/48/70/94/1426487094.db2.gz SQKVQWYNNGSWKL-UHFFFAOYSA-N 1 1 378.476 3.111 20 30 GGEDMO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000173325196 1426507780 /nfs/dbraw/zinc/50/77/80/1426507780.db2.gz VNNNNRXNJRFINI-LPHOPBHVSA-N 1 1 389.546 3.290 20 30 GGEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000173334905 1426515893 /nfs/dbraw/zinc/51/58/93/1426515893.db2.gz KCVKWGUJIDRTNM-KRWDZBQOSA-N 1 1 380.496 3.493 20 30 GGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000173354899 1426530618 /nfs/dbraw/zinc/53/06/18/1426530618.db2.gz KXWGAWCAAVNKLT-KRWDZBQOSA-N 1 1 380.496 3.493 20 30 GGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccn(CCC#N)n3)cc2)C1 ZINC000173354924 1426531042 /nfs/dbraw/zinc/53/10/42/1426531042.db2.gz DKCRTMGIPWRNTL-QGZVFWFLSA-N 1 1 380.496 3.350 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000173354888 1426531074 /nfs/dbraw/zinc/53/10/74/1426531074.db2.gz KXWGAWCAAVNKLT-QGZVFWFLSA-N 1 1 380.496 3.493 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)o2)cc1 ZINC000173354972 1426531191 /nfs/dbraw/zinc/53/11/91/1426531191.db2.gz XWJIHESYTVZDJW-LJQANCHMSA-N 1 1 390.443 3.495 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)o2)cc1 ZINC000173354972 1426531202 /nfs/dbraw/zinc/53/12/02/1426531202.db2.gz XWJIHESYTVZDJW-LJQANCHMSA-N 1 1 390.443 3.495 20 30 GGEDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 ZINC000173359509 1426533615 /nfs/dbraw/zinc/53/36/15/1426533615.db2.gz UFZHPBHJUUHRFN-UHFFFAOYSA-N 1 1 380.496 3.270 20 30 GGEDMO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000173516826 1426688665 /nfs/dbraw/zinc/68/86/65/1426688665.db2.gz KYJKNYLAAWGDOI-GOSISDBHSA-N 1 1 393.487 3.069 20 30 GGEDMO CCC(CC)[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000173544700 1426718407 /nfs/dbraw/zinc/71/84/07/1426718407.db2.gz MTEMFWUCEYHATP-QFIPXVFZSA-N 1 1 399.535 3.065 20 30 GGEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173591092 1426755129 /nfs/dbraw/zinc/75/51/29/1426755129.db2.gz KOPSRZAZJCGYOF-CRAIPNDOSA-N 1 1 381.480 3.125 20 30 GGEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173591092 1426755131 /nfs/dbraw/zinc/75/51/31/1426755131.db2.gz KOPSRZAZJCGYOF-CRAIPNDOSA-N 1 1 381.480 3.125 20 30 GGEDMO CC(C)OCC[NH+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000173645008 1426808770 /nfs/dbraw/zinc/80/87/70/1426808770.db2.gz YIXZNFOVJVZSPC-UHFFFAOYSA-N 1 1 377.488 3.408 20 30 GGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nnc5ccccn54)C3)o2)cc1 ZINC000173776238 1426848016 /nfs/dbraw/zinc/84/80/16/1426848016.db2.gz NVUWOXRFXISEJU-QGZVFWFLSA-N 1 1 385.431 3.031 20 30 GGEDMO C[C@@H](CCc1cccn1C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000173826732 1426861891 /nfs/dbraw/zinc/86/18/91/1426861891.db2.gz DTXXOOYESMRWBA-IBGZPJMESA-N 1 1 393.535 3.135 20 30 GGEDMO CCN(CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1)C(=O)OC(C)(C)C ZINC000173928139 1426896082 /nfs/dbraw/zinc/89/60/82/1426896082.db2.gz BIGIFAWEVKOJSP-NRFANRHFSA-N 1 1 394.560 3.010 20 30 GGEDMO CC[C@](C)([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C)cs1 ZINC000173949836 1426905891 /nfs/dbraw/zinc/90/58/91/1426905891.db2.gz HXRAOFPABWJWGS-FQEVSTJZSA-N 1 1 394.504 3.362 20 30 GGEDMO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC000173972120 1426917623 /nfs/dbraw/zinc/91/76/23/1426917623.db2.gz ZGJJSABRCARCGL-UHFFFAOYSA-N 1 1 377.492 3.130 20 30 GGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1)c1ccccc1 ZINC000173984451 1426926901 /nfs/dbraw/zinc/92/69/01/1426926901.db2.gz WPYZDYSVLYRYQK-NRFANRHFSA-N 1 1 377.488 3.472 20 30 GGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc(C#N)ccc3F)CC2)cc1 ZINC000174020300 1426947795 /nfs/dbraw/zinc/94/77/95/1426947795.db2.gz HPVIGIKGUIRGGW-UHFFFAOYSA-N 1 1 396.466 3.123 20 30 GGEDMO N#Cc1ccc(OCCC[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000174054733 1426975333 /nfs/dbraw/zinc/97/53/33/1426975333.db2.gz VPXXBPGXCJFLGD-UHFFFAOYSA-N 1 1 377.444 3.342 20 30 GGEDMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000174088820 1426995948 /nfs/dbraw/zinc/99/59/48/1426995948.db2.gz SNNWLRKNZPDVCH-UHFFFAOYSA-N 1 1 397.445 3.116 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCOC2)c1C#N ZINC000174141498 1427019426 /nfs/dbraw/zinc/01/94/26/1427019426.db2.gz DZUWDSVRTVLXGI-GOSISDBHSA-N 1 1 380.492 3.263 20 30 GGEDMO CCO[C@@H](CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000174332644 1427105571 /nfs/dbraw/zinc/10/55/71/1427105571.db2.gz HAIAUVPRIQLZAK-NRFANRHFSA-N 1 1 386.540 3.227 20 30 GGEDMO COc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1C#N ZINC000174352528 1427116089 /nfs/dbraw/zinc/11/60/89/1427116089.db2.gz QNNNOPKMCVFKAV-INIZCTEOSA-N 1 1 382.483 3.309 20 30 GGEDMO CC(C)[NH+](CCCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000174359315 1427118854 /nfs/dbraw/zinc/11/88/54/1427118854.db2.gz STJBJGRIBJJQTN-UHFFFAOYSA-N 1 1 399.583 3.284 20 30 GGEDMO C[C@H](CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000174410556 1427145995 /nfs/dbraw/zinc/14/59/95/1427145995.db2.gz CASVCEPPGOPSIZ-OAHLLOKOSA-N 1 1 398.894 3.177 20 30 GGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(CCC#N)CC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000174441242 1427157933 /nfs/dbraw/zinc/15/79/33/1427157933.db2.gz WOJRPZPZVXDHFS-HUUCEWRRSA-N 1 1 383.414 3.214 20 30 GGEDMO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000174445916 1427160126 /nfs/dbraw/zinc/16/01/26/1427160126.db2.gz ZDSMIBSCWXXQNC-UHFFFAOYSA-N 1 1 393.468 3.439 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000174567658 1427228200 /nfs/dbraw/zinc/22/82/00/1427228200.db2.gz GRAUGOWSWQDGCZ-UHFFFAOYSA-N 1 1 385.508 3.203 20 30 GGEDMO COc1cc(/C=C/C(=O)N2CC[N@@H+](C)CC23CCCCC3)ccc1OCC#N ZINC000174571278 1427232419 /nfs/dbraw/zinc/23/24/19/1427232419.db2.gz ZPFOEJPAZVUZOX-VQHVLOKHSA-N 1 1 383.492 3.088 20 30 GGEDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1O ZINC000174631419 1427276381 /nfs/dbraw/zinc/27/63/81/1427276381.db2.gz HEHYXYGYVAFOTM-OAHLLOKOSA-N 1 1 385.439 3.307 20 30 GGEDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1O ZINC000174631419 1427276391 /nfs/dbraw/zinc/27/63/91/1427276391.db2.gz HEHYXYGYVAFOTM-OAHLLOKOSA-N 1 1 385.439 3.307 20 30 GGEDMO C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)CN1CC[NH+](C)CC1 ZINC000174787053 1427367480 /nfs/dbraw/zinc/36/74/80/1427367480.db2.gz VZMHLWIRLODFOZ-FQEVSTJZSA-N 1 1 390.531 3.091 20 30 GGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc1 ZINC000174792689 1427370757 /nfs/dbraw/zinc/37/07/57/1427370757.db2.gz PKIWVHMLIBVEFI-VQTJNVASSA-N 1 1 382.508 3.201 20 30 GGEDMO N#CCCn1cc(C(=O)C[N@@H+](CCC(N)=O)Cc2ccccc2)c2ccccc21 ZINC000174813161 1427381990 /nfs/dbraw/zinc/38/19/90/1427381990.db2.gz VJRLWSPOFZLVEW-UHFFFAOYSA-N 1 1 388.471 3.115 20 30 GGEDMO N#CCCn1cc(C(=O)C[N@H+](CCC(N)=O)Cc2ccccc2)c2ccccc21 ZINC000174813161 1427381996 /nfs/dbraw/zinc/38/19/96/1427381996.db2.gz VJRLWSPOFZLVEW-UHFFFAOYSA-N 1 1 388.471 3.115 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000174907316 1427439977 /nfs/dbraw/zinc/43/99/77/1427439977.db2.gz QJXSCULYKRGOQC-REWPJTCUSA-N 1 1 380.488 3.060 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000174907337 1427440029 /nfs/dbraw/zinc/44/00/29/1427440029.db2.gz QJXSCULYKRGOQC-NZQKXSOJSA-N 1 1 380.488 3.060 20 30 GGEDMO C[C@H](c1ccccc1)[C@](C)(O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174925202 1427447998 /nfs/dbraw/zinc/44/79/98/1427447998.db2.gz FFQJWRQTEOTQMC-DVECYGJZSA-N 1 1 391.515 3.147 20 30 GGEDMO C[C@H](c1ccccc1)[C@](C)(O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174925202 1427448003 /nfs/dbraw/zinc/44/80/03/1427448003.db2.gz FFQJWRQTEOTQMC-DVECYGJZSA-N 1 1 391.515 3.147 20 30 GGEDMO C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174925231 1427448369 /nfs/dbraw/zinc/44/83/69/1427448369.db2.gz FFQJWRQTEOTQMC-NTKDMRAZSA-N 1 1 391.515 3.147 20 30 GGEDMO C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000174925231 1427448373 /nfs/dbraw/zinc/44/83/73/1427448373.db2.gz FFQJWRQTEOTQMC-NTKDMRAZSA-N 1 1 391.515 3.147 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174954452 1427464659 /nfs/dbraw/zinc/46/46/59/1427464659.db2.gz WYBOQGBWEBXUKY-NRFANRHFSA-N 1 1 376.504 3.483 20 30 GGEDMO CN(CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174954452 1427464673 /nfs/dbraw/zinc/46/46/73/1427464673.db2.gz WYBOQGBWEBXUKY-NRFANRHFSA-N 1 1 376.504 3.483 20 30 GGEDMO CN(CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174954452 1427464677 /nfs/dbraw/zinc/46/46/77/1427464677.db2.gz WYBOQGBWEBXUKY-NRFANRHFSA-N 1 1 376.504 3.483 20 30 GGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000175014757 1427498600 /nfs/dbraw/zinc/49/86/00/1427498600.db2.gz MDENPNQBQNJDEQ-UHFFFAOYSA-N 1 1 392.488 3.198 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)cc1 ZINC000175185145 1427588365 /nfs/dbraw/zinc/58/83/65/1427588365.db2.gz PLPXLAFBRUCUOH-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)cc1 ZINC000175185145 1427588370 /nfs/dbraw/zinc/58/83/70/1427588370.db2.gz PLPXLAFBRUCUOH-UHFFFAOYSA-N 1 1 398.850 3.468 20 30 GGEDMO Cc1nc(CCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000175185036 1427588544 /nfs/dbraw/zinc/58/85/44/1427588544.db2.gz LLOVYLKXQKGIJZ-UHFFFAOYSA-N 1 1 382.533 3.380 20 30 GGEDMO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1 ZINC000175230923 1427614801 /nfs/dbraw/zinc/61/48/01/1427614801.db2.gz VBZFIVULZOPKMW-JOCHJYFZSA-N 1 1 395.503 3.224 20 30 GGEDMO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1 ZINC000175230923 1427614807 /nfs/dbraw/zinc/61/48/07/1427614807.db2.gz VBZFIVULZOPKMW-JOCHJYFZSA-N 1 1 395.503 3.224 20 30 GGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000175266044 1427635069 /nfs/dbraw/zinc/63/50/69/1427635069.db2.gz BSNKDGZVWJLRNA-UWJYYQICSA-N 1 1 388.471 3.158 20 30 GGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000175268884 1427636519 /nfs/dbraw/zinc/63/65/19/1427636519.db2.gz RYKYICCJIPFUHI-NIJIEXERSA-N 1 1 388.471 3.161 20 30 GGEDMO C=CCCCC(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000175268773 1427636824 /nfs/dbraw/zinc/63/68/24/1427636824.db2.gz SPXHQMHVJWXJRC-UHFFFAOYSA-N 1 1 382.508 3.478 20 30 GGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000175269329 1427637492 /nfs/dbraw/zinc/63/74/92/1427637492.db2.gz FFADRZLPOBVSKQ-UWJYYQICSA-N 1 1 388.471 3.158 20 30 GGEDMO CC(C)[N@@H+](C)CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000175278301 1427643332 /nfs/dbraw/zinc/64/33/32/1427643332.db2.gz JAGZZSXWWMIZPE-UHFFFAOYSA-N 1 1 390.538 3.164 20 30 GGEDMO COCC[N@@H+](C)CCCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175282263 1427645751 /nfs/dbraw/zinc/64/57/51/1427645751.db2.gz NYLQWNBXFBFMPF-UHFFFAOYSA-N 1 1 383.517 3.408 20 30 GGEDMO CCOc1ccc(C#N)cc1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000175622156 1427835494 /nfs/dbraw/zinc/83/54/94/1427835494.db2.gz KXQMCBOOFASKQM-UHFFFAOYSA-N 1 1 379.464 3.451 20 30 GGEDMO COC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(C)o1 ZINC000175661901 1427848397 /nfs/dbraw/zinc/84/83/97/1427848397.db2.gz DUPCLBZMCISPFJ-HXUWFJFHSA-N 1 1 396.491 3.065 20 30 GGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000175812604 1427904817 /nfs/dbraw/zinc/90/48/17/1427904817.db2.gz UZCGQTRJTZFSGQ-MRXNPFEDSA-N 1 1 399.004 3.373 20 30 GGEDMO C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000175844973 1427926953 /nfs/dbraw/zinc/92/69/53/1427926953.db2.gz XNHGMRBZGNFDAT-UTKZUKDTSA-N 1 1 383.517 3.031 20 30 GGEDMO C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000175844987 1427927099 /nfs/dbraw/zinc/92/70/99/1427927099.db2.gz XNHGMRBZGNFDAT-UWJYYQICSA-N 1 1 383.517 3.031 20 30 GGEDMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175845299 1427927178 /nfs/dbraw/zinc/92/71/78/1427927178.db2.gz QLDHVOJIASTUAE-XLIONFOSSA-N 1 1 383.517 3.198 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175960376 1427998883 /nfs/dbraw/zinc/99/88/83/1427998883.db2.gz TUBCWHVAYNOYHI-CTNGQTDRSA-N 1 1 383.536 3.441 20 30 GGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175960376 1427998889 /nfs/dbraw/zinc/99/88/89/1427998889.db2.gz TUBCWHVAYNOYHI-CTNGQTDRSA-N 1 1 383.536 3.441 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(SCC#N)c2)[C@H](C)C1 ZINC000175976924 1428009409 /nfs/dbraw/zinc/00/94/09/1428009409.db2.gz XARKFTJTOXCASC-APWZRJJASA-N 1 1 375.538 3.169 20 30 GGEDMO N#CCSc1cccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000176022776 1428031656 /nfs/dbraw/zinc/03/16/56/1428031656.db2.gz GCLHWZHUKUGEAC-UHFFFAOYSA-N 1 1 381.501 3.064 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000176075473 1428069022 /nfs/dbraw/zinc/06/90/22/1428069022.db2.gz KJMFTUXFJFWFMD-FQEVSTJZSA-N 1 1 381.451 3.345 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000176075473 1428069033 /nfs/dbraw/zinc/06/90/33/1428069033.db2.gz KJMFTUXFJFWFMD-FQEVSTJZSA-N 1 1 381.451 3.345 20 30 GGEDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000176218584 1428173878 /nfs/dbraw/zinc/17/38/78/1428173878.db2.gz HWYGFXWAELHFHT-UHFFFAOYSA-N 1 1 394.475 3.137 20 30 GGEDMO Cc1ccc(C#N)c(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)n1 ZINC000180403586 1429858584 /nfs/dbraw/zinc/85/85/84/1429858584.db2.gz VEYYXNGLWZWLDQ-UHFFFAOYSA-N 1 1 394.504 3.128 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000180411935 1429861478 /nfs/dbraw/zinc/86/14/78/1429861478.db2.gz IHMLWWYLXOKFNN-QZTJIDSGSA-N 1 1 399.535 3.349 20 30 GGEDMO Cc1ccc(NC(=O)N2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)cc1 ZINC000180471744 1429877351 /nfs/dbraw/zinc/87/73/51/1429877351.db2.gz MQJVYIMDGFILQC-UHFFFAOYSA-N 1 1 378.476 3.485 20 30 GGEDMO C=CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000180486304 1429880553 /nfs/dbraw/zinc/88/05/53/1429880553.db2.gz QIUVURGPKGCIAL-OAQYLSRUSA-N 1 1 380.488 3.138 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180590198 1429916027 /nfs/dbraw/zinc/91/60/27/1429916027.db2.gz WWHGNDCAWIGXNU-OAHLLOKOSA-N 1 1 377.423 3.458 20 30 GGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000180590198 1429916040 /nfs/dbraw/zinc/91/60/40/1429916040.db2.gz WWHGNDCAWIGXNU-OAHLLOKOSA-N 1 1 377.423 3.458 20 30 GGEDMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654956 1429959384 /nfs/dbraw/zinc/95/93/84/1429959384.db2.gz ZHIGBSSURSGBOQ-NQIIRXRSSA-N 1 1 398.507 3.057 20 30 GGEDMO CC(C)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1 ZINC000180727086 1430002985 /nfs/dbraw/zinc/00/29/85/1430002985.db2.gz DJBLGQRNNWZMNH-UHFFFAOYSA-N 1 1 378.476 3.130 20 30 GGEDMO C=CCc1cc(C[NH+]2CCC(CCCN3CCOCC3)CC2)cc(OC)c1O ZINC000180798104 1430046260 /nfs/dbraw/zinc/04/62/60/1430046260.db2.gz JWWJXBOZCFUQPC-UHFFFAOYSA-N 1 1 388.552 3.454 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc1Cl ZINC000180948190 1430130012 /nfs/dbraw/zinc/13/00/12/1430130012.db2.gz CAIDQIKDLZUGRC-INIZCTEOSA-N 1 1 387.892 3.385 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2ccc(NCc3ccc(O[C@H](C)C#N)cc3)cc2)CC1 ZINC000181009417 1430165198 /nfs/dbraw/zinc/16/51/98/1430165198.db2.gz NPACWFFKONUWQT-GOSISDBHSA-N 1 1 392.503 3.254 20 30 GGEDMO CCc1nnc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C#N)c1CC ZINC000181135256 1430221582 /nfs/dbraw/zinc/22/15/82/1430221582.db2.gz RUKFBUKJEOGACF-SFHVURJKSA-N 1 1 379.508 3.042 20 30 GGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@H](O)COc4ccc(C#N)cc4)C3)nc2c1 ZINC000181157407 1430230904 /nfs/dbraw/zinc/23/09/04/1430230904.db2.gz RCSSPABXGACLQU-OALUTQOASA-N 1 1 390.487 3.362 20 30 GGEDMO Cc1ccc2nc([C@H]3CCC[N@H+](C[C@H](O)COc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000181157407 1430230909 /nfs/dbraw/zinc/23/09/09/1430230909.db2.gz RCSSPABXGACLQU-OALUTQOASA-N 1 1 390.487 3.362 20 30 GGEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@H](O)COc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000181157407 1430230913 /nfs/dbraw/zinc/23/09/13/1430230913.db2.gz RCSSPABXGACLQU-OALUTQOASA-N 1 1 390.487 3.362 20 30 GGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@H](O)COc4ccc(C#N)cc4)C3)nc2c1 ZINC000181157383 1430231227 /nfs/dbraw/zinc/23/12/27/1430231227.db2.gz RCSSPABXGACLQU-MOPGFXCFSA-N 1 1 390.487 3.362 20 30 GGEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](C[C@H](O)COc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000181157383 1430231235 /nfs/dbraw/zinc/23/12/35/1430231235.db2.gz RCSSPABXGACLQU-MOPGFXCFSA-N 1 1 390.487 3.362 20 30 GGEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](C[C@H](O)COc4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000181157383 1430231242 /nfs/dbraw/zinc/23/12/42/1430231242.db2.gz RCSSPABXGACLQU-MOPGFXCFSA-N 1 1 390.487 3.362 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H](O)C(F)(F)F ZINC000181293062 1430265065 /nfs/dbraw/zinc/26/50/65/1430265065.db2.gz DRRFUZKDWMDEKA-CQSZACIVSA-N 1 1 389.443 3.072 20 30 GGEDMO N#CCOc1ccc(CC(=O)O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCC4)C2)cc1 ZINC000181292855 1430265283 /nfs/dbraw/zinc/26/52/83/1430265283.db2.gz AHYJAQDQVFQDEB-HSZRJFAPSA-N 1 1 390.483 3.438 20 30 GGEDMO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(F)c(F)c1 ZINC000181427597 1430296473 /nfs/dbraw/zinc/29/64/73/1430296473.db2.gz NWKNDYIYAWBWAA-QGZVFWFLSA-N 1 1 379.794 3.406 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181484779 1430308721 /nfs/dbraw/zinc/30/87/21/1430308721.db2.gz ALKIURKKMPGCGT-VQIMIIECSA-N 1 1 385.556 3.115 20 30 GGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181484755 1430308754 /nfs/dbraw/zinc/30/87/54/1430308754.db2.gz ALKIURKKMPGCGT-QFBILLFUSA-N 1 1 385.556 3.115 20 30 GGEDMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181519048 1430314098 /nfs/dbraw/zinc/31/40/98/1430314098.db2.gz YKBLWXHFYSYTAC-IEBWSBKVSA-N 1 1 399.535 3.495 20 30 GGEDMO C=C(C)CN(CC)C(=O)CN[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181633324 1430331747 /nfs/dbraw/zinc/33/17/47/1430331747.db2.gz RMLDVDLIYXFFEN-GOSISDBHSA-N 1 1 390.547 3.043 20 30 GGEDMO CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000181683157 1430341251 /nfs/dbraw/zinc/34/12/51/1430341251.db2.gz TVRAZDNRSZZDPI-OAQYLSRUSA-N 1 1 392.503 3.376 20 30 GGEDMO CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000181683132 1430341282 /nfs/dbraw/zinc/34/12/82/1430341282.db2.gz TVRAZDNRSZZDPI-NRFANRHFSA-N 1 1 392.503 3.376 20 30 GGEDMO N#CCC[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000181700832 1430343876 /nfs/dbraw/zinc/34/38/76/1430343876.db2.gz IOAGDPREAIZFHV-VXKWHMMOSA-N 1 1 392.503 3.097 20 30 GGEDMO CCOCCCN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC000181756994 1430353182 /nfs/dbraw/zinc/35/31/82/1430353182.db2.gz ZICYJFLLLSDEMP-HYBUGGRVSA-N 1 1 398.595 3.249 20 30 GGEDMO CCOCCCN1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC000181756976 1430353305 /nfs/dbraw/zinc/35/33/05/1430353305.db2.gz ZICYJFLLLSDEMP-YKSBVNFPSA-N 1 1 398.595 3.249 20 30 GGEDMO C=CCOc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000181789580 1430360828 /nfs/dbraw/zinc/36/08/28/1430360828.db2.gz WJTYBUTXOIGKEX-FQEVSTJZSA-N 1 1 381.476 3.140 20 30 GGEDMO COC(=O)c1ccc(F)c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181867155 1430374451 /nfs/dbraw/zinc/37/44/51/1430374451.db2.gz HTBIDHMKGONLIL-UHFFFAOYSA-N 1 1 381.451 3.192 20 30 GGEDMO Cc1ccc(C[N@H+](CCO)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000181976963 1430390930 /nfs/dbraw/zinc/39/09/30/1430390930.db2.gz VCJFRHHPKHFWPL-UHFFFAOYSA-N 1 1 379.504 3.353 20 30 GGEDMO Cc1ccc(C[N@@H+](CCO)CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000181976963 1430390932 /nfs/dbraw/zinc/39/09/32/1430390932.db2.gz VCJFRHHPKHFWPL-UHFFFAOYSA-N 1 1 379.504 3.353 20 30 GGEDMO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(F)c1F ZINC000181982921 1430392105 /nfs/dbraw/zinc/39/21/05/1430392105.db2.gz ATVDXXRPXZZTJI-CYBMUJFWSA-N 1 1 381.386 3.311 20 30 GGEDMO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(F)c1F ZINC000181982903 1430392153 /nfs/dbraw/zinc/39/21/53/1430392153.db2.gz ATVDXXRPXZZTJI-ZDUSSCGKSA-N 1 1 381.386 3.311 20 30 GGEDMO C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(=O)N1c1ccccc1 ZINC000181995741 1430393331 /nfs/dbraw/zinc/39/33/31/1430393331.db2.gz PQSIVFDKECQQBR-WZONZLPQSA-N 1 1 388.515 3.306 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000182054864 1430402927 /nfs/dbraw/zinc/40/29/27/1430402927.db2.gz IGTCGYQFLUXTHS-HKUYNNGSSA-N 1 1 379.460 3.207 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000182054864 1430402930 /nfs/dbraw/zinc/40/29/30/1430402930.db2.gz IGTCGYQFLUXTHS-HKUYNNGSSA-N 1 1 379.460 3.207 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000182054822 1430403034 /nfs/dbraw/zinc/40/30/34/1430403034.db2.gz IGTCGYQFLUXTHS-PKOBYXMFSA-N 1 1 379.460 3.207 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000182054822 1430403037 /nfs/dbraw/zinc/40/30/37/1430403037.db2.gz IGTCGYQFLUXTHS-PKOBYXMFSA-N 1 1 379.460 3.207 20 30 GGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000182054885 1430403133 /nfs/dbraw/zinc/40/31/33/1430403133.db2.gz IGTCGYQFLUXTHS-MJGOQNOKSA-N 1 1 379.460 3.207 20 30 GGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000182054885 1430403136 /nfs/dbraw/zinc/40/31/36/1430403136.db2.gz IGTCGYQFLUXTHS-MJGOQNOKSA-N 1 1 379.460 3.207 20 30 GGEDMO N#Cc1ccc(C[NH+]2CCC(NCc3cccnc3OCC(F)F)CC2)cc1 ZINC000182093654 1430410409 /nfs/dbraw/zinc/41/04/09/1430410409.db2.gz INESFXYKFADZLB-UHFFFAOYSA-N 1 1 386.446 3.351 20 30 GGEDMO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000182682893 1430516199 /nfs/dbraw/zinc/51/61/99/1430516199.db2.gz ZPPOQZINLBSKEM-QFIPXVFZSA-N 1 1 388.471 3.070 20 30 GGEDMO CC(=O)Nc1cccc2c1CC[N@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000182682893 1430516200 /nfs/dbraw/zinc/51/62/00/1430516200.db2.gz ZPPOQZINLBSKEM-QFIPXVFZSA-N 1 1 388.471 3.070 20 30 GGEDMO CC[N@@H+](CCc1ccccc1)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182684288 1430516643 /nfs/dbraw/zinc/51/66/43/1430516643.db2.gz WDHIVBDKGOSTDB-FQEVSTJZSA-N 1 1 396.560 3.022 20 30 GGEDMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182759944 1430535250 /nfs/dbraw/zinc/53/52/50/1430535250.db2.gz BVDRCODPBPMAFL-VQTJNVASSA-N 1 1 377.492 3.150 20 30 GGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182810628 1430544289 /nfs/dbraw/zinc/54/42/89/1430544289.db2.gz UWOBXFYGCHKWEO-OAHLLOKOSA-N 1 1 391.397 3.439 20 30 GGEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182809964 1430544387 /nfs/dbraw/zinc/54/43/87/1430544387.db2.gz LEUCJUACRHWMSE-MRXNPFEDSA-N 1 1 391.397 3.439 20 30 GGEDMO C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822841 1430547106 /nfs/dbraw/zinc/54/71/06/1430547106.db2.gz OXGXMXGTEZCULT-PKOBYXMFSA-N 1 1 396.535 3.436 20 30 GGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182840487 1430551434 /nfs/dbraw/zinc/55/14/34/1430551434.db2.gz GTWBXRGTINJFAD-OAHLLOKOSA-N 1 1 394.397 3.498 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182844515 1430552428 /nfs/dbraw/zinc/55/24/28/1430552428.db2.gz HUWOVUCSPGAAON-BBRMVZONSA-N 1 1 391.397 3.438 20 30 GGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182844515 1430552433 /nfs/dbraw/zinc/55/24/33/1430552433.db2.gz HUWOVUCSPGAAON-BBRMVZONSA-N 1 1 391.397 3.438 20 30 GGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182890948 1430563704 /nfs/dbraw/zinc/56/37/04/1430563704.db2.gz YESXBJMHVOSCER-NQIIRXRSSA-N 1 1 398.551 3.369 20 30 GGEDMO C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000182892692 1430564038 /nfs/dbraw/zinc/56/40/38/1430564038.db2.gz UOOUDGAORYEVPK-OAQYLSRUSA-N 1 1 397.494 3.290 20 30 GGEDMO CCOC(=O)CC[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182924765 1430573159 /nfs/dbraw/zinc/57/31/59/1430573159.db2.gz XUVPUDUSESFJDL-UYAOXDASSA-N 1 1 383.492 3.109 20 30 GGEDMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(OCC#N)cc1 ZINC000183012989 1430592471 /nfs/dbraw/zinc/59/24/71/1430592471.db2.gz VHISMZPHMYLRQY-HRAATJIYSA-N 1 1 378.476 3.212 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1C ZINC000183104549 1430614611 /nfs/dbraw/zinc/61/46/11/1430614611.db2.gz MKFAYTHMCZHEPL-LYZGTLIUSA-N 1 1 397.544 3.260 20 30 GGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c1C ZINC000183157414 1430632568 /nfs/dbraw/zinc/63/25/68/1430632568.db2.gz RBZCWIJIVAEALP-WTYVLRPYSA-N 1 1 397.544 3.260 20 30 GGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183167883 1430636639 /nfs/dbraw/zinc/63/66/39/1430636639.db2.gz XCMXKXDWXANIKC-UHFFFAOYSA-N 1 1 377.370 3.049 20 30 GGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183182792 1430641647 /nfs/dbraw/zinc/64/16/47/1430641647.db2.gz ZRDYLODEVDVYLK-CYBMUJFWSA-N 1 1 391.397 3.438 20 30 GGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000183182109 1430641669 /nfs/dbraw/zinc/64/16/69/1430641669.db2.gz KJUBUPMSKPTXJG-XWSJACJDSA-N 1 1 386.565 3.110 20 30 GGEDMO COc1ccc(/C=C/C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1O ZINC000183336230 1430682159 /nfs/dbraw/zinc/68/21/59/1430682159.db2.gz OIHIOBQKPVRYGM-CSKARUKUSA-N 1 1 391.471 3.020 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000183440991 1430712618 /nfs/dbraw/zinc/71/26/18/1430712618.db2.gz NEPPTKUQAPDNKK-UHFFFAOYSA-N 1 1 389.908 3.108 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000183440991 1430712622 /nfs/dbraw/zinc/71/26/22/1430712622.db2.gz NEPPTKUQAPDNKK-UHFFFAOYSA-N 1 1 389.908 3.108 20 30 GGEDMO N#CCCn1cc(C[NH+]2CCN(Cc3cccnc3)CC2)c(-c2ccccc2)n1 ZINC000183665200 1430767072 /nfs/dbraw/zinc/76/70/72/1430767072.db2.gz GFWBISUPNZOWRA-UHFFFAOYSA-N 1 1 386.503 3.177 20 30 GGEDMO CC(C)Oc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1C#N ZINC000183689470 1430773402 /nfs/dbraw/zinc/77/34/02/1430773402.db2.gz NJYDFWGFUSQWRE-JOCHJYFZSA-N 1 1 393.487 3.482 20 30 GGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000183788056 1430794075 /nfs/dbraw/zinc/79/40/75/1430794075.db2.gz IZKZEIJVZYIRSX-KRWDZBQOSA-N 1 1 394.475 3.496 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183820800 1430800877 /nfs/dbraw/zinc/80/08/77/1430800877.db2.gz AKFHQBYOENXWNG-MRXNPFEDSA-N 1 1 376.522 3.378 20 30 GGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183820800 1430800880 /nfs/dbraw/zinc/80/08/80/1430800880.db2.gz AKFHQBYOENXWNG-MRXNPFEDSA-N 1 1 376.522 3.378 20 30 GGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1C ZINC000183867706 1430806672 /nfs/dbraw/zinc/80/66/72/1430806672.db2.gz BOZBTKWQEFWVAU-IBGZPJMESA-N 1 1 385.508 3.025 20 30 GGEDMO CC1([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)OCCO1 ZINC000183874967 1430807508 /nfs/dbraw/zinc/80/75/08/1430807508.db2.gz YGQOYIDHMPNNPF-HNNXBMFYSA-N 1 1 377.872 3.015 20 30 GGEDMO CC1([C@H]2CCC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)OCCO1 ZINC000183876060 1430807757 /nfs/dbraw/zinc/80/77/57/1430807757.db2.gz IMYYJIOYMLZRTH-KRWDZBQOSA-N 1 1 381.476 3.213 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000183885940 1430808948 /nfs/dbraw/zinc/80/89/48/1430808948.db2.gz UIBWMBXNUHAVDE-LJQANCHMSA-N 1 1 385.508 3.025 20 30 GGEDMO Cc1csc([C@H](C)CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000183920844 1430813538 /nfs/dbraw/zinc/81/35/38/1430813538.db2.gz GCATYIQNMJPSNY-MRXNPFEDSA-N 1 1 397.548 3.344 20 30 GGEDMO COc1cc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])cc1F ZINC000183947264 1430816740 /nfs/dbraw/zinc/81/67/40/1430816740.db2.gz QFBGQNYKESABQQ-CIAFOILYSA-N 1 1 389.383 3.130 20 30 GGEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000184031544 1430831808 /nfs/dbraw/zinc/83/18/08/1430831808.db2.gz QBVGQABRFJUEMT-HXUWFJFHSA-N 1 1 390.531 3.234 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184085835 1430839269 /nfs/dbraw/zinc/83/92/69/1430839269.db2.gz KACOEWIOEGNWKY-FQEVSTJZSA-N 1 1 399.535 3.068 20 30 GGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184085835 1430839271 /nfs/dbraw/zinc/83/92/71/1430839271.db2.gz KACOEWIOEGNWKY-FQEVSTJZSA-N 1 1 399.535 3.068 20 30 GGEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000184180274 1430851858 /nfs/dbraw/zinc/85/18/58/1430851858.db2.gz DQRVADPTXZJRBZ-UHFFFAOYSA-N 1 1 391.475 3.368 20 30 GGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184321542 1430872945 /nfs/dbraw/zinc/87/29/45/1430872945.db2.gz HNSUYOJEJFQHDW-IRXDYDNUSA-N 1 1 389.569 3.086 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184321600 1430872960 /nfs/dbraw/zinc/87/29/60/1430872960.db2.gz HNSUYOJEJFQHDW-IAGOWNOFSA-N 1 1 389.569 3.086 20 30 GGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184324053 1430873188 /nfs/dbraw/zinc/87/31/88/1430873188.db2.gz NOXDEKDITAALFN-DLBZAZTESA-N 1 1 389.569 3.228 20 30 GGEDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000184331435 1430873859 /nfs/dbraw/zinc/87/38/59/1430873859.db2.gz JYUFJXXJBRLIHK-INIZCTEOSA-N 1 1 397.422 3.158 20 30 GGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000184334038 1430874447 /nfs/dbraw/zinc/87/44/47/1430874447.db2.gz ATVVQYPWFNZZJX-NRFANRHFSA-N 1 1 385.533 3.134 20 30 GGEDMO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C)cs1 ZINC000184410318 1430884511 /nfs/dbraw/zinc/88/45/11/1430884511.db2.gz ZLQKZPCKJJTFEC-INIZCTEOSA-N 1 1 380.477 3.188 20 30 GGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000184450590 1430889134 /nfs/dbraw/zinc/88/91/34/1430889134.db2.gz NNFDQNSRTONOMJ-AZUAARDMSA-N 1 1 383.492 3.107 20 30 GGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000184450590 1430889136 /nfs/dbraw/zinc/88/91/36/1430889136.db2.gz NNFDQNSRTONOMJ-AZUAARDMSA-N 1 1 383.492 3.107 20 30 GGEDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000184459758 1430890312 /nfs/dbraw/zinc/89/03/12/1430890312.db2.gz WAXDZRNHXZFDEV-HXUWFJFHSA-N 1 1 390.531 3.234 20 30 GGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(C#N)ccc2OCCOC)c1 ZINC000184610193 1430918611 /nfs/dbraw/zinc/91/86/11/1430918611.db2.gz MWIPGHLUWRUOSV-UHFFFAOYSA-N 1 1 396.491 3.357 20 30 GGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000184842000 1431000533 /nfs/dbraw/zinc/00/05/33/1431000533.db2.gz GCKGYQJBXNYLDJ-QFIPXVFZSA-N 1 1 379.504 3.404 20 30 GGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](CCO)c2ccco2)c1C#N ZINC000185067977 1431053065 /nfs/dbraw/zinc/05/30/65/1431053065.db2.gz SXZDWRVXCOLYPE-IBGZPJMESA-N 1 1 392.459 3.211 20 30 GGEDMO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185103270 1431061479 /nfs/dbraw/zinc/06/14/79/1431061479.db2.gz IBHLHOBLQDERNQ-CYBMUJFWSA-N 1 1 379.395 3.427 20 30 GGEDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3ccc(C#N)cc3)n2)c1 ZINC000185109752 1431063175 /nfs/dbraw/zinc/06/31/75/1431063175.db2.gz SKFAEYALKCPDHG-AWEZNQCLSA-N 1 1 391.431 3.296 20 30 GGEDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3sccc3C#N)n2)c1 ZINC000185124196 1431066298 /nfs/dbraw/zinc/06/62/98/1431066298.db2.gz OYTVPJQZTOASES-LBPRGKRZSA-N 1 1 397.460 3.358 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)C1CC1 ZINC000185296227 1431103421 /nfs/dbraw/zinc/10/34/21/1431103421.db2.gz NNMQVHBDSDQFLW-QFIPXVFZSA-N 1 1 377.488 3.158 20 30 GGEDMO CC[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000185345863 1431121219 /nfs/dbraw/zinc/12/12/19/1431121219.db2.gz VEDLCYRMHUMVEO-OAQYLSRUSA-N 1 1 377.488 3.254 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000185436468 1431145512 /nfs/dbraw/zinc/14/55/12/1431145512.db2.gz SMJCDCCZMJUTQN-KRWDZBQOSA-N 1 1 378.476 3.233 20 30 GGEDMO C[C@@H](c1ccsc1)[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000185452959 1431149013 /nfs/dbraw/zinc/14/90/13/1431149013.db2.gz NWLOGRYKHBRHTM-SFHVURJKSA-N 1 1 382.533 3.374 20 30 GGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000185606021 1431182053 /nfs/dbraw/zinc/18/20/53/1431182053.db2.gz GTNYBDUTEZMANO-FUHIMQAGSA-N 1 1 398.551 3.476 20 30 GGEDMO C=C(C)[C@@H](NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000185833952 1431246689 /nfs/dbraw/zinc/24/66/89/1431246689.db2.gz NSELEZCBKVULTO-FOIQADDNSA-N 1 1 393.478 3.477 20 30 GGEDMO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(C(=O)C(F)(F)F)CC1)CCC2 ZINC000186029525 1431314207 /nfs/dbraw/zinc/31/42/07/1431314207.db2.gz YXWHFHWZCGPVNP-UHFFFAOYSA-N 1 1 399.438 3.280 20 30 GGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(C#N)cc2C)C(C)C)cc1 ZINC000186224951 1431356595 /nfs/dbraw/zinc/35/65/95/1431356595.db2.gz BAGKAJPXPUCFEA-JOCHJYFZSA-N 1 1 395.503 3.475 20 30 GGEDMO CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186267575 1431366599 /nfs/dbraw/zinc/36/65/99/1431366599.db2.gz WPEMQSRQXZVSCL-FCHUYYIVSA-N 1 1 398.551 3.369 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000186274503 1431368785 /nfs/dbraw/zinc/36/87/85/1431368785.db2.gz LUISPNUOVVSTFM-KRWDZBQOSA-N 1 1 386.492 3.410 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000186302221 1431376182 /nfs/dbraw/zinc/37/61/82/1431376182.db2.gz JEEDOBYPWJSUBT-HNNXBMFYSA-N 1 1 387.480 3.430 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000186302221 1431376186 /nfs/dbraw/zinc/37/61/86/1431376186.db2.gz JEEDOBYPWJSUBT-HNNXBMFYSA-N 1 1 387.480 3.430 20 30 GGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000186303865 1431376481 /nfs/dbraw/zinc/37/64/81/1431376481.db2.gz LOKLBSFVFRPTCT-KRWDZBQOSA-N 1 1 399.516 3.170 20 30 GGEDMO CCN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186319906 1431381433 /nfs/dbraw/zinc/38/14/33/1431381433.db2.gz PGHLEXQYXRJTCX-NRFANRHFSA-N 1 1 377.488 3.254 20 30 GGEDMO CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186322709 1431382406 /nfs/dbraw/zinc/38/24/06/1431382406.db2.gz MUDBKZULJUGXGF-NRFANRHFSA-N 1 1 377.488 3.254 20 30 GGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ncccc1OCCCC#N ZINC000186449013 1431422455 /nfs/dbraw/zinc/42/24/55/1431422455.db2.gz ZOKAAYSHZOBKEP-QGZVFWFLSA-N 1 1 381.480 3.406 20 30 GGEDMO COc1cc(C#N)ccc1OCC[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186479932 1431431580 /nfs/dbraw/zinc/43/15/80/1431431580.db2.gz CHIQAJWANUWCAA-UHFFFAOYSA-N 1 1 388.414 3.207 20 30 GGEDMO C[NH+](C)CCCOc1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000186589680 1431462412 /nfs/dbraw/zinc/46/24/12/1431462412.db2.gz VCHSWGVAWQHNRM-UHFFFAOYSA-N 1 1 393.896 3.343 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(OC)c1 ZINC000186619887 1431471226 /nfs/dbraw/zinc/47/12/26/1431471226.db2.gz WUEWYFDZXRSFFU-GBXCKJPGSA-N 1 1 395.499 3.295 20 30 GGEDMO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c(Cl)c1 ZINC000186638105 1431477307 /nfs/dbraw/zinc/47/73/07/1431477307.db2.gz NBZUQPLXCRINFP-INIZCTEOSA-N 1 1 387.892 3.385 20 30 GGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186670877 1431487172 /nfs/dbraw/zinc/48/71/72/1431487172.db2.gz XDGVNSRJNPVZSN-LZKLMHIUSA-N 1 1 381.520 3.437 20 30 GGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186670877 1431487174 /nfs/dbraw/zinc/48/71/74/1431487174.db2.gz XDGVNSRJNPVZSN-LZKLMHIUSA-N 1 1 381.520 3.437 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186673482 1431488356 /nfs/dbraw/zinc/48/83/56/1431488356.db2.gz YHZAHPOHHLFYSC-FDDCHVKYSA-N 1 1 375.472 3.453 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186673482 1431488362 /nfs/dbraw/zinc/48/83/62/1431488362.db2.gz YHZAHPOHHLFYSC-FDDCHVKYSA-N 1 1 375.472 3.453 20 30 GGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CC[N@@H+](C)C2CC2)c1C#N ZINC000186769671 1431511806 /nfs/dbraw/zinc/51/18/06/1431511806.db2.gz OVJDTUUUHOSVQL-UHFFFAOYSA-N 1 1 385.556 3.446 20 30 GGEDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000186834436 1431532642 /nfs/dbraw/zinc/53/26/42/1431532642.db2.gz LCZQSNRTNXUMOV-OAHLLOKOSA-N 1 1 399.878 3.143 20 30 GGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186837166 1431533061 /nfs/dbraw/zinc/53/30/61/1431533061.db2.gz SFGPADIPVKZHOR-INIZCTEOSA-N 1 1 391.512 3.059 20 30 GGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2CCC(C)(CO)CC2)c1C#N ZINC000186894221 1431557664 /nfs/dbraw/zinc/55/76/64/1431557664.db2.gz JHELTSIBUNAEEM-UHFFFAOYSA-N 1 1 398.482 3.138 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC(C)(CO)CC2)c1C#N ZINC000186972722 1431580204 /nfs/dbraw/zinc/58/02/04/1431580204.db2.gz VMYDBQMYTQRMIV-UHFFFAOYSA-N 1 1 394.519 3.058 20 30 GGEDMO COc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000187092477 1431612440 /nfs/dbraw/zinc/61/24/40/1431612440.db2.gz NUMIJMKBPDROQS-UHFFFAOYSA-N 1 1 382.439 3.446 20 30 GGEDMO C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000187260120 1431670313 /nfs/dbraw/zinc/67/03/13/1431670313.db2.gz FKFIUVPTEKKMNP-SFHVURJKSA-N 1 1 398.473 3.258 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC1(O)CCCCCC1 ZINC000187333487 1431700125 /nfs/dbraw/zinc/70/01/25/1431700125.db2.gz OJIYMVLCMOBUSS-SFHVURJKSA-N 1 1 387.524 3.347 20 30 GGEDMO C=CCC[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000187376475 1431713333 /nfs/dbraw/zinc/71/33/33/1431713333.db2.gz TYDRBKCICZOZEN-VJBWXMMDSA-N 1 1 378.516 3.488 20 30 GGEDMO C=C(C)[C@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000187523371 1431755699 /nfs/dbraw/zinc/75/56/99/1431755699.db2.gz VFEHCJNASBFDKX-FQEVSTJZSA-N 1 1 394.510 3.299 20 30 GGEDMO CC[C@@]1(CO)CCC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000187587284 1431773860 /nfs/dbraw/zinc/77/38/60/1431773860.db2.gz NGDFEKIZVUEVGI-HXUWFJFHSA-N 1 1 377.916 3.380 20 30 GGEDMO CC[C@@]1(CO)CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000187587284 1431773864 /nfs/dbraw/zinc/77/38/64/1431773864.db2.gz NGDFEKIZVUEVGI-HXUWFJFHSA-N 1 1 377.916 3.380 20 30 GGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000187676187 1431797802 /nfs/dbraw/zinc/79/78/02/1431797802.db2.gz SXYXZYXRKUEJRJ-BEFAXECRSA-N 1 1 387.480 3.201 20 30 GGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000187676187 1431797807 /nfs/dbraw/zinc/79/78/07/1431797807.db2.gz SXYXZYXRKUEJRJ-BEFAXECRSA-N 1 1 387.480 3.201 20 30 GGEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187754290 1431808572 /nfs/dbraw/zinc/80/85/72/1431808572.db2.gz LDQIFSDBRKWTSA-IBGZPJMESA-N 1 1 394.443 3.214 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(OCC#N)cc1)C1CC1 ZINC000187780097 1431811646 /nfs/dbraw/zinc/81/16/46/1431811646.db2.gz QNRUDBBEGUFXDU-QFIPXVFZSA-N 1 1 392.503 3.299 20 30 GGEDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(SCC#N)c1 ZINC000188158246 1431854407 /nfs/dbraw/zinc/85/44/07/1431854407.db2.gz YWJNDTHWVBIPQJ-QFIPXVFZSA-N 1 1 395.528 3.011 20 30 GGEDMO C=CC[C@H](C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000188173526 1431856490 /nfs/dbraw/zinc/85/64/90/1431856490.db2.gz SDWUNMUUYMKNAH-UPVQGACJSA-N 1 1 378.516 3.442 20 30 GGEDMO C=CC[C@H](C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000188173503 1431856516 /nfs/dbraw/zinc/85/65/16/1431856516.db2.gz SDWUNMUUYMKNAH-LADGPHEKSA-N 1 1 378.516 3.442 20 30 GGEDMO C=CC[C@H](C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1 ZINC000188274315 1431868464 /nfs/dbraw/zinc/86/84/64/1431868464.db2.gz UUTTWTXTVBRASF-QHCPKHFHSA-N 1 1 377.532 3.410 20 30 GGEDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000188387166 1431879856 /nfs/dbraw/zinc/87/98/56/1431879856.db2.gz AQTCPWVSHAHJNH-NRFANRHFSA-N 1 1 398.894 3.312 20 30 GGEDMO C[C@@H](c1nnnn1C1CCCCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000188563293 1431895437 /nfs/dbraw/zinc/89/54/37/1431895437.db2.gz IZYOERDRMUJYJN-SFHVURJKSA-N 1 1 393.539 3.319 20 30 GGEDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)c1 ZINC000188731833 1431949961 /nfs/dbraw/zinc/94/99/61/1431949961.db2.gz IHUWMYAJAGWYOE-UHFFFAOYSA-N 1 1 393.491 3.422 20 30 GGEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000188752435 1431957884 /nfs/dbraw/zinc/95/78/84/1431957884.db2.gz GBNSNQCOZNCJJM-INIZCTEOSA-N 1 1 394.475 3.136 20 30 GGEDMO N#Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000188952752 1432015693 /nfs/dbraw/zinc/01/56/93/1432015693.db2.gz MVWIWDMSSRVRIF-LJQANCHMSA-N 1 1 387.443 3.160 20 30 GGEDMO N#Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000188952752 1432015699 /nfs/dbraw/zinc/01/56/99/1432015699.db2.gz MVWIWDMSSRVRIF-LJQANCHMSA-N 1 1 387.443 3.160 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cccc(F)c3C#N)cc2)C[C@H](C)O1 ZINC000188999839 1432024620 /nfs/dbraw/zinc/02/46/20/1432024620.db2.gz UQYAJCBODUMHIE-IYBDPMFKSA-N 1 1 381.451 3.237 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000189137241 1432050986 /nfs/dbraw/zinc/05/09/86/1432050986.db2.gz GFTBUEHZLLDFHA-QGZVFWFLSA-N 1 1 384.524 3.398 20 30 GGEDMO N#CCCN(C(=O)C[NH+]1CCC([C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000189187262 1432059936 /nfs/dbraw/zinc/05/99/36/1432059936.db2.gz JOWDPNUHLDQMTR-LJQANCHMSA-N 1 1 375.900 3.478 20 30 GGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000189347418 1432090899 /nfs/dbraw/zinc/09/08/99/1432090899.db2.gz KJXOQPUEQILCMX-KRWDZBQOSA-N 1 1 378.476 3.026 20 30 GGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000189347418 1432090902 /nfs/dbraw/zinc/09/09/02/1432090902.db2.gz KJXOQPUEQILCMX-KRWDZBQOSA-N 1 1 378.476 3.026 20 30 GGEDMO N#Cc1ccc(CSc2ccccc2C(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000189433026 1432109648 /nfs/dbraw/zinc/10/96/48/1432109648.db2.gz WHFMCCJHXLQFBK-UHFFFAOYSA-N 1 1 395.528 3.303 20 30 GGEDMO CC(=O)N1CC[NH+](Cc2cccc(NCc3ccc(O[C@H](C)C#N)cc3)c2)CC1 ZINC000189509636 1432141383 /nfs/dbraw/zinc/14/13/83/1432141383.db2.gz YHDNERRUVDNKTP-GOSISDBHSA-N 1 1 392.503 3.254 20 30 GGEDMO C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189564593 1432160391 /nfs/dbraw/zinc/16/03/91/1432160391.db2.gz QLWJHJJWFKQZAA-XMSQKQJNSA-N 1 1 389.499 3.118 20 30 GGEDMO C=CCN(CCOC)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000189712005 1432211681 /nfs/dbraw/zinc/21/16/81/1432211681.db2.gz VMPZOJUSBAVJBT-QAPCUYQASA-N 1 1 383.895 3.316 20 30 GGEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000189983328 1432299824 /nfs/dbraw/zinc/29/98/24/1432299824.db2.gz QVVKACQWVHZKIG-SFHVURJKSA-N 1 1 398.528 3.432 20 30 GGEDMO CC(C)(C)n1nccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000190411168 1432376236 /nfs/dbraw/zinc/37/62/36/1432376236.db2.gz HINUUGLVRCSTTH-UHFFFAOYSA-N 1 1 380.496 3.250 20 30 GGEDMO COc1ccc(F)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1OC ZINC000191688445 1432706236 /nfs/dbraw/zinc/70/62/36/1432706236.db2.gz XANLUUAALNXNBC-UHFFFAOYSA-N 1 1 397.450 3.063 20 30 GGEDMO COc1ccc(F)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1OC ZINC000191688445 1432706242 /nfs/dbraw/zinc/70/62/42/1432706242.db2.gz XANLUUAALNXNBC-UHFFFAOYSA-N 1 1 397.450 3.063 20 30 GGEDMO C#CCOc1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000191686838 1432706348 /nfs/dbraw/zinc/70/63/48/1432706348.db2.gz KSCXEVVLDPAKCY-UHFFFAOYSA-N 1 1 396.438 3.281 20 30 GGEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191877347 1432745199 /nfs/dbraw/zinc/74/51/99/1432745199.db2.gz KUIFCEVYPSGZSW-HXUWFJFHSA-N 1 1 378.476 3.279 20 30 GGEDMO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191910876 1432753762 /nfs/dbraw/zinc/75/37/62/1432753762.db2.gz CPYLFMPMKPNMSP-IBGZPJMESA-N 1 1 382.439 3.110 20 30 GGEDMO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191963149 1432768523 /nfs/dbraw/zinc/76/85/23/1432768523.db2.gz XLVURKJXEIOKFI-UHFFFAOYSA-N 1 1 376.453 3.002 20 30 GGEDMO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191963149 1432768524 /nfs/dbraw/zinc/76/85/24/1432768524.db2.gz XLVURKJXEIOKFI-UHFFFAOYSA-N 1 1 376.453 3.002 20 30 GGEDMO Cn1c2ccccc2[nH+]c1NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000192069515 1432792388 /nfs/dbraw/zinc/79/23/88/1432792388.db2.gz ANSUEWBRUAJSPJ-UHFFFAOYSA-N 1 1 389.438 3.397 20 30 GGEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(CSC(F)F)o3)C2=O)cc1 ZINC000192242452 1432821538 /nfs/dbraw/zinc/82/15/38/1432821538.db2.gz XAGULMVBBOGKKC-KRWDZBQOSA-N 1 1 391.443 3.498 20 30 GGEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1 ZINC000192241441 1432821573 /nfs/dbraw/zinc/82/15/73/1432821573.db2.gz LSZIYVRNWUHWNU-GOSISDBHSA-N 1 1 384.823 3.011 20 30 GGEDMO C=CCN(CC=C)C(=O)C[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192342211 1432833848 /nfs/dbraw/zinc/83/38/48/1432833848.db2.gz YWOIIOLLAWTNPK-UHFFFAOYSA-N 1 1 396.491 3.125 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357061 1432836268 /nfs/dbraw/zinc/83/62/68/1432836268.db2.gz VKRGTMWBQMNMKH-WMZHIEFXSA-N 1 1 379.504 3.358 20 30 GGEDMO C[C@@H](C#N)Oc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357061 1432836269 /nfs/dbraw/zinc/83/62/69/1432836269.db2.gz VKRGTMWBQMNMKH-WMZHIEFXSA-N 1 1 379.504 3.358 20 30 GGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000192530382 1432855651 /nfs/dbraw/zinc/85/56/51/1432855651.db2.gz FLPHDCZZIOPAIV-JOCHJYFZSA-N 1 1 394.515 3.003 20 30 GGEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)C2=O)cc1 ZINC000192710207 1432878292 /nfs/dbraw/zinc/87/82/92/1432878292.db2.gz VNSPBRXZKHCBJJ-AABGKKOBSA-N 1 1 385.533 3.040 20 30 GGEDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192720291 1432879869 /nfs/dbraw/zinc/87/98/69/1432879869.db2.gz SLHGWRRMQUJTPV-PGRDOPGGSA-N 1 1 377.488 3.327 20 30 GGEDMO N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192984208 1432917097 /nfs/dbraw/zinc/91/70/97/1432917097.db2.gz MXMVYDIWBQQPMJ-MRXNPFEDSA-N 1 1 389.908 3.012 20 30 GGEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000193087346 1432934080 /nfs/dbraw/zinc/93/40/80/1432934080.db2.gz IBRVEVKCUDTXBO-QGZVFWFLSA-N 1 1 384.524 3.055 20 30 GGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000193239218 1432965202 /nfs/dbraw/zinc/96/52/02/1432965202.db2.gz OAVWVAQUCSOLFI-SFHVURJKSA-N 1 1 385.895 3.164 20 30 GGEDMO COc1ccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000193278201 1432973141 /nfs/dbraw/zinc/97/31/41/1432973141.db2.gz ZFZFYLOXTCYCBH-CQSZACIVSA-N 1 1 399.516 3.455 20 30 GGEDMO COc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000193278201 1432973145 /nfs/dbraw/zinc/97/31/45/1432973145.db2.gz ZFZFYLOXTCYCBH-CQSZACIVSA-N 1 1 399.516 3.455 20 30 GGEDMO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)OC ZINC000193352448 1432984181 /nfs/dbraw/zinc/98/41/81/1432984181.db2.gz PEIGJPLHKFXTSZ-UHFFFAOYSA-N 1 1 377.510 3.102 20 30 GGEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)OC ZINC000193352448 1432984184 /nfs/dbraw/zinc/98/41/84/1432984184.db2.gz PEIGJPLHKFXTSZ-UHFFFAOYSA-N 1 1 377.510 3.102 20 30 GGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000193751644 1433052025 /nfs/dbraw/zinc/05/20/25/1433052025.db2.gz DLLOJFCQLBKJIU-LJQANCHMSA-N 1 1 392.503 3.246 20 30 GGEDMO CC[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000193760042 1433054141 /nfs/dbraw/zinc/05/41/41/1433054141.db2.gz KCGGLAVVJMLQSS-OAHLLOKOSA-N 1 1 396.516 3.157 20 30 GGEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000193760042 1433054142 /nfs/dbraw/zinc/05/41/42/1433054142.db2.gz KCGGLAVVJMLQSS-OAHLLOKOSA-N 1 1 396.516 3.157 20 30 GGEDMO N#Cc1ccc(CSCC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000193832428 1433068532 /nfs/dbraw/zinc/06/85/32/1433068532.db2.gz BIRBJYXRJGKGAA-OAQYLSRUSA-N 1 1 379.529 3.430 20 30 GGEDMO N#CCCCOc1cccnc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193880644 1433077468 /nfs/dbraw/zinc/07/74/68/1433077468.db2.gz CHJHVMDUSANFRX-LJQANCHMSA-N 1 1 393.491 3.408 20 30 GGEDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000194025123 1433102992 /nfs/dbraw/zinc/10/29/92/1433102992.db2.gz KGDUPASNWPCENX-DLBZAZTESA-N 1 1 395.528 3.237 20 30 GGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000194025123 1433102994 /nfs/dbraw/zinc/10/29/94/1433102994.db2.gz KGDUPASNWPCENX-DLBZAZTESA-N 1 1 395.528 3.237 20 30 GGEDMO COC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1 ZINC000194192624 1433135663 /nfs/dbraw/zinc/13/56/63/1433135663.db2.gz SMEOGSUVGPTXKK-PMACEKPBSA-N 1 1 383.879 3.290 20 30 GGEDMO CCCCCCCS(=O)(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000194804636 1433236107 /nfs/dbraw/zinc/23/61/07/1433236107.db2.gz OWKZBLWNQMESMR-UHFFFAOYSA-N 1 1 395.569 3.063 20 30 GGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000194856619 1433249566 /nfs/dbraw/zinc/24/95/66/1433249566.db2.gz KFYZGKAHXWEKGC-HDICACEKSA-N 1 1 377.488 3.026 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000194868546 1433252893 /nfs/dbraw/zinc/25/28/93/1433252893.db2.gz DOVGPKITGNIULI-IBGZPJMESA-N 1 1 377.872 3.061 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000194868546 1433252895 /nfs/dbraw/zinc/25/28/95/1433252895.db2.gz DOVGPKITGNIULI-IBGZPJMESA-N 1 1 377.872 3.061 20 30 GGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000194877754 1433254460 /nfs/dbraw/zinc/25/44/60/1433254460.db2.gz BGDWJSGGOOSUJC-LJQANCHMSA-N 1 1 377.510 3.086 20 30 GGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000194877754 1433254465 /nfs/dbraw/zinc/25/44/65/1433254465.db2.gz BGDWJSGGOOSUJC-LJQANCHMSA-N 1 1 377.510 3.086 20 30 GGEDMO CS(=O)(=O)c1ccc(OCCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194957974 1433272267 /nfs/dbraw/zinc/27/22/67/1433272267.db2.gz CSCGQISJIVSPMP-UHFFFAOYSA-N 1 1 384.501 3.395 20 30 GGEDMO CS(=O)(=O)c1ccc(OCCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194957974 1433272271 /nfs/dbraw/zinc/27/22/71/1433272271.db2.gz CSCGQISJIVSPMP-UHFFFAOYSA-N 1 1 384.501 3.395 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C2CC2)cc1 ZINC000194959177 1433272780 /nfs/dbraw/zinc/27/27/80/1433272780.db2.gz OAUUXCADCFRKIF-OAQYLSRUSA-N 1 1 388.515 3.165 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C2CC2)cc1 ZINC000194959177 1433272784 /nfs/dbraw/zinc/27/27/84/1433272784.db2.gz OAUUXCADCFRKIF-OAQYLSRUSA-N 1 1 388.515 3.165 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C2CC2)cc1 ZINC000194962290 1433272905 /nfs/dbraw/zinc/27/29/05/1433272905.db2.gz SDTOAWGAGNUVIS-UHFFFAOYSA-N 1 1 388.471 3.054 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C2CC2)cc1 ZINC000194962290 1433272910 /nfs/dbraw/zinc/27/29/10/1433272910.db2.gz SDTOAWGAGNUVIS-UHFFFAOYSA-N 1 1 388.471 3.054 20 30 GGEDMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194961316 1433273060 /nfs/dbraw/zinc/27/30/60/1433273060.db2.gz NSISRNGWIBSDKW-OAQYLSRUSA-N 1 1 394.471 3.174 20 30 GGEDMO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C2CC2)cc1 ZINC000194962254 1433273076 /nfs/dbraw/zinc/27/30/76/1433273076.db2.gz UJVZTFOPBPZTDW-UHFFFAOYSA-N 1 1 388.471 3.288 20 30 GGEDMO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C2CC2)cc1 ZINC000194962254 1433273078 /nfs/dbraw/zinc/27/30/78/1433273078.db2.gz UJVZTFOPBPZTDW-UHFFFAOYSA-N 1 1 388.471 3.288 20 30 GGEDMO COC(=O)c1ccc(C)c(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194966948 1433274261 /nfs/dbraw/zinc/27/42/61/1433274261.db2.gz DZISNGCQAFGPCT-UHFFFAOYSA-N 1 1 377.444 3.256 20 30 GGEDMO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194966948 1433274262 /nfs/dbraw/zinc/27/42/62/1433274262.db2.gz DZISNGCQAFGPCT-UHFFFAOYSA-N 1 1 377.444 3.256 20 30 GGEDMO CCN1C[C@@H](C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)Oc2ccccc21 ZINC000198392257 1433349713 /nfs/dbraw/zinc/34/97/13/1433349713.db2.gz ANOSMWYNOOCSMK-GOSISDBHSA-N 1 1 378.476 3.106 20 30 GGEDMO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000208062350 1433355178 /nfs/dbraw/zinc/35/51/78/1433355178.db2.gz PEXODENMNAGJCQ-DAXSKMNVSA-N 1 1 380.517 3.279 20 30 GGEDMO N#Cc1ccsc1NC(=O)CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000208062350 1433355179 /nfs/dbraw/zinc/35/51/79/1433355179.db2.gz PEXODENMNAGJCQ-DAXSKMNVSA-N 1 1 380.517 3.279 20 30 GGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000216166898 1433363005 /nfs/dbraw/zinc/36/30/05/1433363005.db2.gz ATPQRLUWZCBNBE-KRWDZBQOSA-N 1 1 393.553 3.086 20 30 GGEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000237007501 1433385579 /nfs/dbraw/zinc/38/55/79/1433385579.db2.gz ZVLJBBOMLJEZSS-UHFFFAOYSA-N 1 1 381.495 3.269 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H](C)O1 ZINC000245199236 1433453812 /nfs/dbraw/zinc/45/38/12/1433453812.db2.gz CJAZARCYOKEMIM-SOLBZPMBSA-N 1 1 387.528 3.220 20 30 GGEDMO CCCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000245391930 1433458770 /nfs/dbraw/zinc/45/87/70/1433458770.db2.gz SDSQMOAHPMYSCL-WOJBJXKFSA-N 1 1 398.551 3.259 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@H]3CCCOC3)sc2C1 ZINC000245419530 1433464056 /nfs/dbraw/zinc/46/40/56/1433464056.db2.gz AWRXBVMVBCFROH-LSDHHAIUSA-N 1 1 375.538 3.432 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245437563 1433467546 /nfs/dbraw/zinc/46/75/46/1433467546.db2.gz DWDXILPHXSGMJH-PZJWPPBQSA-N 1 1 382.552 3.171 20 30 GGEDMO N#C[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000245461605 1433473049 /nfs/dbraw/zinc/47/30/49/1433473049.db2.gz NEXNGEWVHLDIIS-YLJYHZDGSA-N 1 1 383.879 3.312 20 30 GGEDMO N#C[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1Cl ZINC000245461605 1433473052 /nfs/dbraw/zinc/47/30/52/1433473052.db2.gz NEXNGEWVHLDIIS-YLJYHZDGSA-N 1 1 383.879 3.312 20 30 GGEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245513834 1433479972 /nfs/dbraw/zinc/47/99/72/1433479972.db2.gz AZVXMCUCXXQKII-DSKINZAPSA-N 1 1 396.535 3.070 20 30 GGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000245542865 1433483142 /nfs/dbraw/zinc/48/31/42/1433483142.db2.gz KJGYREBNTPAKOC-YLJYHZDGSA-N 1 1 398.507 3.039 20 30 GGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCCC[C@H]1O ZINC000245552418 1433484002 /nfs/dbraw/zinc/48/40/02/1433484002.db2.gz QKXHTSRSYJGIIX-RHSMWYFYSA-N 1 1 375.538 3.310 20 30 GGEDMO C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1n1ccnc1 ZINC000245606630 1433490314 /nfs/dbraw/zinc/49/03/14/1433490314.db2.gz NKEUZZZPBLDSEL-QFBILLFUSA-N 1 1 385.899 3.366 20 30 GGEDMO C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1n1ccnc1 ZINC000245606630 1433490315 /nfs/dbraw/zinc/49/03/15/1433490315.db2.gz NKEUZZZPBLDSEL-QFBILLFUSA-N 1 1 385.899 3.366 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2[C@H](C)CCC[C@H]2CO)c1C#N ZINC000245608318 1433490597 /nfs/dbraw/zinc/49/05/97/1433490597.db2.gz KSMUDDXMAKPNMW-UZLBHIALSA-N 1 1 394.519 3.199 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2[C@H](C)CCC[C@H]2CO)c1C#N ZINC000245608318 1433490598 /nfs/dbraw/zinc/49/05/98/1433490598.db2.gz KSMUDDXMAKPNMW-UZLBHIALSA-N 1 1 394.519 3.199 20 30 GGEDMO C=C[C@H](CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000245696852 1433501769 /nfs/dbraw/zinc/50/17/69/1433501769.db2.gz YIZAOZLRKNCBES-NQIIRXRSSA-N 1 1 377.488 3.435 20 30 GGEDMO C=C[C@H](CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000245696852 1433501770 /nfs/dbraw/zinc/50/17/70/1433501770.db2.gz YIZAOZLRKNCBES-NQIIRXRSSA-N 1 1 377.488 3.435 20 30 GGEDMO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000245699607 1433502319 /nfs/dbraw/zinc/50/23/19/1433502319.db2.gz YYAUBPQQLAKJOH-SFTDATJTSA-N 1 1 393.487 3.142 20 30 GGEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000245713876 1433504538 /nfs/dbraw/zinc/50/45/38/1433504538.db2.gz GMBNIUIMGQIZIG-QGZVFWFLSA-N 1 1 380.452 3.026 20 30 GGEDMO Cc1nc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000245759264 1433513277 /nfs/dbraw/zinc/51/32/77/1433513277.db2.gz ZCMWZNDQHTYNBY-BEFAXECRSA-N 1 1 386.858 3.477 20 30 GGEDMO Cc1nc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000245759264 1433513283 /nfs/dbraw/zinc/51/32/83/1433513283.db2.gz ZCMWZNDQHTYNBY-BEFAXECRSA-N 1 1 386.858 3.477 20 30 GGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000245778117 1433516472 /nfs/dbraw/zinc/51/64/72/1433516472.db2.gz HGYBOMXUSNPIEF-IAGOWNOFSA-N 1 1 377.916 3.439 20 30 GGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245868105 1433530189 /nfs/dbraw/zinc/53/01/89/1433530189.db2.gz KJUBUPMSKPTXJG-YDZRNGNQSA-N 1 1 386.565 3.110 20 30 GGEDMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000245900153 1433537917 /nfs/dbraw/zinc/53/79/17/1433537917.db2.gz RYGZZKLJGLFLKX-PGRDOPGGSA-N 1 1 394.494 3.228 20 30 GGEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@H]1C ZINC000245961471 1433551317 /nfs/dbraw/zinc/55/13/17/1433551317.db2.gz UVXIJZJEMBCFDH-KZNAEPCWSA-N 1 1 398.551 3.334 20 30 GGEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@H]1C ZINC000245961471 1433551320 /nfs/dbraw/zinc/55/13/20/1433551320.db2.gz UVXIJZJEMBCFDH-KZNAEPCWSA-N 1 1 398.551 3.334 20 30 GGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 ZINC000246095152 1433567933 /nfs/dbraw/zinc/56/79/33/1433567933.db2.gz HONIXJBPCCLYKD-RBBKRZOGSA-N 1 1 392.455 3.127 20 30 GGEDMO CCN(C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1)CC(F)(F)F ZINC000246100327 1433568488 /nfs/dbraw/zinc/56/84/88/1433568488.db2.gz AYHQVOXCMFZPLQ-HUUCEWRRSA-N 1 1 382.430 3.091 20 30 GGEDMO CCN(C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1)CC(F)(F)F ZINC000246100327 1433568491 /nfs/dbraw/zinc/56/84/91/1433568491.db2.gz AYHQVOXCMFZPLQ-HUUCEWRRSA-N 1 1 382.430 3.091 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246118166 1433571264 /nfs/dbraw/zinc/57/12/64/1433571264.db2.gz KOHASBSOEXVIKO-DLBZAZTESA-N 1 1 399.564 3.069 20 30 GGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246118166 1433571268 /nfs/dbraw/zinc/57/12/68/1433571268.db2.gz KOHASBSOEXVIKO-DLBZAZTESA-N 1 1 399.564 3.069 20 30 GGEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000246165286 1433576930 /nfs/dbraw/zinc/57/69/30/1433576930.db2.gz MFBLTDJBIGOOSQ-XLIONFOSSA-N 1 1 391.496 3.304 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000246224343 1433583924 /nfs/dbraw/zinc/58/39/24/1433583924.db2.gz VQFITTGERBCISJ-JKSUJKDBSA-N 1 1 395.956 3.487 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246264981 1433587832 /nfs/dbraw/zinc/58/78/32/1433587832.db2.gz AYSALUVPIDEDGL-WOJBJXKFSA-N 1 1 379.460 3.012 20 30 GGEDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246264981 1433587833 /nfs/dbraw/zinc/58/78/33/1433587833.db2.gz AYSALUVPIDEDGL-WOJBJXKFSA-N 1 1 379.460 3.012 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000246378301 1433603477 /nfs/dbraw/zinc/60/34/77/1433603477.db2.gz MOJGWELZTHTKAP-JKSUJKDBSA-N 1 1 395.956 3.487 20 30 GGEDMO 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/nfs/dbraw/zinc/83/64/59/1433836459.db2.gz ZTQUXYHYBUIGHK-HBCWATKFSA-N 1 1 398.482 3.277 20 30 GGEDMO C[C@H](O)C[N@H+]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000249219006 1433839168 /nfs/dbraw/zinc/83/91/68/1433839168.db2.gz FRHAKYGQNYPOFH-SFTDATJTSA-N 1 1 377.532 3.273 20 30 GGEDMO C=CC[C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000249288808 1433840553 /nfs/dbraw/zinc/84/05/53/1433840553.db2.gz UPBWEGBPYKISOM-RTWAWAEBSA-N 1 1 377.488 3.435 20 30 GGEDMO C=CC[C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccccc1 ZINC000249288808 1433840554 /nfs/dbraw/zinc/84/05/54/1433840554.db2.gz UPBWEGBPYKISOM-RTWAWAEBSA-N 1 1 377.488 3.435 20 30 GGEDMO C=CC[C@@H](C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000249517466 1433845989 /nfs/dbraw/zinc/84/59/89/1433845989.db2.gz SDWUNMUUYMKNAH-ISKFKSNPSA-N 1 1 378.516 3.442 20 30 GGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nccs3)C2)c(OC)c1 ZINC000249870260 1433853317 /nfs/dbraw/zinc/85/33/17/1433853317.db2.gz JPCIGHQYFJXYEI-QZTJIDSGSA-N 1 1 388.533 3.500 20 30 GGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000250071664 1433854026 /nfs/dbraw/zinc/85/40/26/1433854026.db2.gz NZJWABHXVKGPGI-DEOSSOPVSA-N 1 1 392.547 3.105 20 30 GGEDMO CN(Cc1ccc(N(C)CCC#N)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000250071664 1433854027 /nfs/dbraw/zinc/85/40/27/1433854027.db2.gz NZJWABHXVKGPGI-DEOSSOPVSA-N 1 1 392.547 3.105 20 30 GGEDMO CN(Cc1ccc(N(C)CCC#N)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000250071664 1433854028 /nfs/dbraw/zinc/85/40/28/1433854028.db2.gz NZJWABHXVKGPGI-DEOSSOPVSA-N 1 1 392.547 3.105 20 30 GGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000250118444 1433854583 /nfs/dbraw/zinc/85/45/83/1433854583.db2.gz PJNCFNITAGKSEK-IFMALSPDSA-N 1 1 384.451 3.118 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000250200352 1433854999 /nfs/dbraw/zinc/85/49/99/1433854999.db2.gz CFDJIOOVMDFEIH-UPVQGACJSA-N 1 1 394.515 3.462 20 30 GGEDMO C=CCN(CCOC)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000250978368 1433857560 /nfs/dbraw/zinc/85/75/60/1433857560.db2.gz VMPZOJUSBAVJBT-CRAIPNDOSA-N 1 1 383.895 3.316 20 30 GGEDMO CN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000255130629 1433877204 /nfs/dbraw/zinc/87/72/04/1433877204.db2.gz UEZRLEAXMMPAOW-MLDHBFCZSA-N 1 1 394.563 3.367 20 30 GGEDMO COc1cc(C#N)ccc1OCCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255290130 1433879289 /nfs/dbraw/zinc/87/92/89/1433879289.db2.gz ANEXTTDHEYWIBG-YVMONPNESA-N 1 1 377.488 3.277 20 30 GGEDMO COc1cc(C#N)ccc1OCC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255290130 1433879291 /nfs/dbraw/zinc/87/92/91/1433879291.db2.gz ANEXTTDHEYWIBG-YVMONPNESA-N 1 1 377.488 3.277 20 30 GGEDMO O=C1[C@@H](O[NH+]=Cc2ccc(N3CCOCC3)cc2)CCCN1c1cccc(F)c1 ZINC000255652575 1433887241 /nfs/dbraw/zinc/88/72/41/1433887241.db2.gz VWMODGLGQYTKAJ-NRFANRHFSA-N 1 1 397.450 3.208 20 30 GGEDMO O=C1[C@H](O[NH+]=Cc2ccc(N3CCOCC3)cc2)CCCN1c1cccc(F)c1 ZINC000255652577 1433887318 /nfs/dbraw/zinc/88/73/18/1433887318.db2.gz VWMODGLGQYTKAJ-OAQYLSRUSA-N 1 1 397.450 3.208 20 30 GGEDMO CC[C@@H](NC(=O)c1ccc(C=NOC)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000255756087 1433889160 /nfs/dbraw/zinc/88/91/60/1433889160.db2.gz PZPZMQIADIEMMX-YADHBBJMSA-N 1 1 395.503 3.076 20 30 GGEDMO CC[C@@H](NC(=O)c1ccc(C=NOC)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000255756087 1433889162 /nfs/dbraw/zinc/88/91/62/1433889162.db2.gz PZPZMQIADIEMMX-YADHBBJMSA-N 1 1 395.503 3.076 20 30 GGEDMO CC[C@H](NC(=O)c1ccc(C=NOC)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000255756073 1433889187 /nfs/dbraw/zinc/88/91/87/1433889187.db2.gz PZPZMQIADIEMMX-VXKWHMMOSA-N 1 1 395.503 3.076 20 30 GGEDMO CC[C@H](NC(=O)c1ccc(C=NOC)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000255756073 1433889188 /nfs/dbraw/zinc/88/91/88/1433889188.db2.gz PZPZMQIADIEMMX-VXKWHMMOSA-N 1 1 395.503 3.076 20 30 GGEDMO C=CCc1ccc(OCC(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000261919127 1433912485 /nfs/dbraw/zinc/91/24/85/1433912485.db2.gz IJAWUDWJNAWFOT-LJQANCHMSA-N 1 1 384.451 3.115 20 30 GGEDMO [NH2+]=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262270493 1433933159 /nfs/dbraw/zinc/93/31/59/1433933159.db2.gz KJYVRFONEBZRKY-LJQANCHMSA-N 1 1 380.492 3.412 20 30 GGEDMO [NH2+]=C(NC[C@@H]1CCCN1Cc1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000262534224 1433942508 /nfs/dbraw/zinc/94/25/08/1433942508.db2.gz OXICQFJZGXTYAY-IBGZPJMESA-N 1 1 380.492 3.239 20 30 GGEDMO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000263502141 1434009413 /nfs/dbraw/zinc/00/94/13/1434009413.db2.gz LASHZWJJYSSYGI-UHFFFAOYSA-N 1 1 393.487 3.164 20 30 GGEDMO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000263502141 1434009419 /nfs/dbraw/zinc/00/94/19/1434009419.db2.gz LASHZWJJYSSYGI-UHFFFAOYSA-N 1 1 393.487 3.164 20 30 GGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000263794209 1434034818 /nfs/dbraw/zinc/03/48/18/1434034818.db2.gz XYHIUOGPOMPSGE-GJZGRUSLSA-N 1 1 390.915 3.023 20 30 GGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000263794209 1434034820 /nfs/dbraw/zinc/03/48/20/1434034820.db2.gz XYHIUOGPOMPSGE-GJZGRUSLSA-N 1 1 390.915 3.023 20 30 GGEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2nccnc2C#N)CC1 ZINC000263930269 1434049960 /nfs/dbraw/zinc/04/99/60/1434049960.db2.gz WFUDAIWSAGUMGI-UHFFFAOYSA-N 1 1 375.398 3.468 20 30 GGEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCN1Cc1ccc(OCC#N)cc1 ZINC000264063740 1434067991 /nfs/dbraw/zinc/06/79/91/1434067991.db2.gz AHCFOKFBQRSXPJ-IBGZPJMESA-N 1 1 390.487 3.198 20 30 GGEDMO C[C@H]1CN(Cc2ccc(OCC#N)cc2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264063740 1434067994 /nfs/dbraw/zinc/06/79/94/1434067994.db2.gz AHCFOKFBQRSXPJ-IBGZPJMESA-N 1 1 390.487 3.198 20 30 GGEDMO C[C@H]1CN(Cc2ccc(OCC#N)cc2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264063740 1434067997 /nfs/dbraw/zinc/06/79/97/1434067997.db2.gz AHCFOKFBQRSXPJ-IBGZPJMESA-N 1 1 390.487 3.198 20 30 GGEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C3(C#N)CCCC3)CC2)c1C ZINC000264073213 1434069218 /nfs/dbraw/zinc/06/92/18/1434069218.db2.gz GTHMADGRNXGEAI-UHFFFAOYSA-N 1 1 384.524 3.214 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3ccc(C#N)cc3)CC2)cc1 ZINC000264081673 1434070054 /nfs/dbraw/zinc/07/00/54/1434070054.db2.gz FXJNUTQCISBCAM-UHFFFAOYSA-N 1 1 390.512 3.257 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3ccc(C#N)cc3)CC2)cc1 ZINC000264081673 1434070059 /nfs/dbraw/zinc/07/00/59/1434070059.db2.gz FXJNUTQCISBCAM-UHFFFAOYSA-N 1 1 390.512 3.257 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nccn3CC(F)(F)F)CC2)cc1 ZINC000264091835 1434071044 /nfs/dbraw/zinc/07/10/44/1434071044.db2.gz QFDLAXKSIIIYGK-UHFFFAOYSA-N 1 1 377.414 3.025 20 30 GGEDMO CCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1O ZINC000264172692 1434078170 /nfs/dbraw/zinc/07/81/70/1434078170.db2.gz ZRXLHQFNKSJDKR-KRWDZBQOSA-N 1 1 390.443 3.129 20 30 GGEDMO CCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1O ZINC000264172692 1434078175 /nfs/dbraw/zinc/07/81/75/1434078175.db2.gz ZRXLHQFNKSJDKR-KRWDZBQOSA-N 1 1 390.443 3.129 20 30 GGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264186260 1434079454 /nfs/dbraw/zinc/07/94/54/1434079454.db2.gz AFRDENORZAMAAA-GHTZIAJQSA-N 1 1 377.488 3.006 20 30 GGEDMO N#Cc1ccc(SCC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000264343153 1434099269 /nfs/dbraw/zinc/09/92/69/1434099269.db2.gz VUTRTAHGYSYZAE-HXUWFJFHSA-N 1 1 379.529 3.331 20 30 GGEDMO N#Cc1ccc(SCC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000264343149 1434099306 /nfs/dbraw/zinc/09/93/06/1434099306.db2.gz VUTRTAHGYSYZAE-FQEVSTJZSA-N 1 1 379.529 3.331 20 30 GGEDMO C=C(C)COc1cc(C[NH2+]C[C@H](C)CN2CCN(CC)CC2)ccc1OC ZINC000264380661 1434104933 /nfs/dbraw/zinc/10/49/33/1434104933.db2.gz OIFOVSXVSHKBGK-IBGZPJMESA-N 1 1 375.557 3.013 20 30 GGEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000264733264 1434149618 /nfs/dbraw/zinc/14/96/18/1434149618.db2.gz ZZQZVTRKRFCKMR-SVFBPWRDSA-N 1 1 399.535 3.208 20 30 GGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1 ZINC000264733901 1434149780 /nfs/dbraw/zinc/14/97/80/1434149780.db2.gz QOFUCLJVSAGMPM-KRWDZBQOSA-N 1 1 386.540 3.225 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264813712 1434157211 /nfs/dbraw/zinc/15/72/11/1434157211.db2.gz WKJOTWJIVVQLLE-SFHVURJKSA-N 1 1 393.491 3.026 20 30 GGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264813707 1434157246 /nfs/dbraw/zinc/15/72/46/1434157246.db2.gz WKJOTWJIVVQLLE-GOSISDBHSA-N 1 1 393.491 3.026 20 30 GGEDMO Cc1ncc(CO)c(/C=N/[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1O ZINC000265032824 1434176722 /nfs/dbraw/zinc/17/67/22/1434176722.db2.gz GOUCDUHCNGHOJC-XIDZHNATSA-N 1 1 393.409 3.300 20 30 GGEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000265129348 1434188175 /nfs/dbraw/zinc/18/81/75/1434188175.db2.gz GMFXBAHSRSARID-FZKQIMNGSA-N 1 1 383.423 3.171 20 30 GGEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1OC ZINC000265150033 1434190597 /nfs/dbraw/zinc/19/05/97/1434190597.db2.gz BEABIFRPIDSHHW-PKOBYXMFSA-N 1 1 390.524 3.127 20 30 GGEDMO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000265164243 1434192500 /nfs/dbraw/zinc/19/25/00/1434192500.db2.gz SHTFCKULCNJIMT-MJGOQNOKSA-N 1 1 386.455 3.001 20 30 GGEDMO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000265164243 1434192503 /nfs/dbraw/zinc/19/25/03/1434192503.db2.gz SHTFCKULCNJIMT-MJGOQNOKSA-N 1 1 386.455 3.001 20 30 GGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265170743 1434193570 /nfs/dbraw/zinc/19/35/70/1434193570.db2.gz BJGJGRMLIRMLGA-AYBZRNKSSA-N 1 1 386.455 3.390 20 30 GGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265170743 1434193571 /nfs/dbraw/zinc/19/35/71/1434193571.db2.gz BJGJGRMLIRMLGA-AYBZRNKSSA-N 1 1 386.455 3.390 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCc3ccc(O)cc3)CC2)cc1 ZINC000265418328 1434232039 /nfs/dbraw/zinc/23/20/39/1434232039.db2.gz DZYVIWWBBMJRLT-UHFFFAOYSA-N 1 1 392.503 3.114 20 30 GGEDMO COC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000265779514 1434264707 /nfs/dbraw/zinc/26/47/07/1434264707.db2.gz KBIHAXVUZLYORL-INIZCTEOSA-N 1 1 384.455 3.012 20 30 GGEDMO COC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000265779514 1434264708 /nfs/dbraw/zinc/26/47/08/1434264708.db2.gz KBIHAXVUZLYORL-INIZCTEOSA-N 1 1 384.455 3.012 20 30 GGEDMO Cc1nc(C[NH+]2CCC(CNc3c(C#N)nnc4ccccc43)CC2)oc1C ZINC000265872059 1434276002 /nfs/dbraw/zinc/27/60/02/1434276002.db2.gz VXRPKBSXCPHHHY-UHFFFAOYSA-N 1 1 376.464 3.430 20 30 GGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265876428 1434276842 /nfs/dbraw/zinc/27/68/42/1434276842.db2.gz WZBIIPDZAUESTE-QAPCUYQASA-N 1 1 386.496 3.122 20 30 GGEDMO O=C(C[N@H+]1CCCC2(CCOCC2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000266051929 1434299724 /nfs/dbraw/zinc/29/97/24/1434299724.db2.gz YXYSNIXUBWFVAQ-UHFFFAOYSA-N 1 1 394.437 3.066 20 30 GGEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000266148343 1434306796 /nfs/dbraw/zinc/30/67/96/1434306796.db2.gz MZVGDWOLNLBUSN-LJQANCHMSA-N 1 1 384.524 3.046 20 30 GGEDMO C=CCOCCCC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000266295619 1434317194 /nfs/dbraw/zinc/31/71/94/1434317194.db2.gz BJDSSZBFXUKFPA-UHFFFAOYSA-N 1 1 389.540 3.113 20 30 GGEDMO COCCOC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000266612660 1434354646 /nfs/dbraw/zinc/35/46/46/1434354646.db2.gz IIBJAGQBDLDHQI-SJORKVTESA-N 1 1 391.537 3.004 20 30 GGEDMO COCCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000266612660 1434354647 /nfs/dbraw/zinc/35/46/47/1434354647.db2.gz IIBJAGQBDLDHQI-SJORKVTESA-N 1 1 391.537 3.004 20 30 GGEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3ccc(OCC#N)cc3)cc2)C1 ZINC000266637783 1434357379 /nfs/dbraw/zinc/35/73/79/1434357379.db2.gz KFUNJDHGFXLBES-SFHVURJKSA-N 1 1 393.487 3.491 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000266988572 1434396431 /nfs/dbraw/zinc/39/64/31/1434396431.db2.gz WTYPSAACMAEYBX-PXNSSMCTSA-N 1 1 398.894 3.216 20 30 GGEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000266989412 1434396457 /nfs/dbraw/zinc/39/64/57/1434396457.db2.gz ADMCHERBSKIWCW-UHFFFAOYSA-N 1 1 382.395 3.456 20 30 GGEDMO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000267070001 1434405013 /nfs/dbraw/zinc/40/50/13/1434405013.db2.gz QMMQXSUPOXLGGX-IAGOWNOFSA-N 1 1 390.409 3.267 20 30 GGEDMO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000267070006 1434405022 /nfs/dbraw/zinc/40/50/22/1434405022.db2.gz QMMQXSUPOXLGGX-IRXDYDNUSA-N 1 1 390.409 3.267 20 30 GGEDMO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000267070011 1434405105 /nfs/dbraw/zinc/40/51/05/1434405105.db2.gz QMMQXSUPOXLGGX-SJORKVTESA-N 1 1 390.409 3.267 20 30 GGEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCCN(CC#N)C2)c1 ZINC000267144413 1434410420 /nfs/dbraw/zinc/41/04/20/1434410420.db2.gz ZLUIYELVASMXAA-JOCHJYFZSA-N 1 1 390.531 3.284 20 30 GGEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000267147689 1434410688 /nfs/dbraw/zinc/41/06/88/1434410688.db2.gz VTXUCMQMMYOZEK-CYBMUJFWSA-N 1 1 380.416 3.284 20 30 GGEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000267549290 1434445142 /nfs/dbraw/zinc/44/51/42/1434445142.db2.gz CLBZMVAQTFZHMP-IAQYHMDHSA-N 1 1 389.452 3.232 20 30 GGEDMO N#CC1(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CCCCC1 ZINC000267700022 1434456407 /nfs/dbraw/zinc/45/64/07/1434456407.db2.gz ISUBBTGHGYTVHN-LJQANCHMSA-N 1 1 381.476 3.158 20 30 GGEDMO N#CC1(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CCCCC1 ZINC000267700022 1434456409 /nfs/dbraw/zinc/45/64/09/1434456409.db2.gz ISUBBTGHGYTVHN-LJQANCHMSA-N 1 1 381.476 3.158 20 30 GGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000268150485 1434497920 /nfs/dbraw/zinc/49/79/20/1434497920.db2.gz GSCURSARGVSTMM-GOSISDBHSA-N 1 1 381.476 3.438 20 30 GGEDMO C[C@@H](c1cccc(NCC(=O)N(CCC#N)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000268470383 1434525654 /nfs/dbraw/zinc/52/56/54/1434525654.db2.gz PYVCWCSYNGTLJZ-IBGZPJMESA-N 1 1 392.503 3.439 20 30 GGEDMO C[C@H](c1cccc(NCC(=O)N(CCC#N)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000268470384 1434525694 /nfs/dbraw/zinc/52/56/94/1434525694.db2.gz PYVCWCSYNGTLJZ-LJQANCHMSA-N 1 1 392.503 3.439 20 30 GGEDMO C=CCOc1ccc(C[N@H+](C[C@H](O)COC2CCOCC2)C(C)(C)C)cc1 ZINC000268474430 1434525896 /nfs/dbraw/zinc/52/58/96/1434525896.db2.gz IYVPIEXBZIPEFY-IBGZPJMESA-N 1 1 377.525 3.408 20 30 GGEDMO Cc1nnc([C@@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)[nH]1 ZINC000268498248 1434527846 /nfs/dbraw/zinc/52/78/46/1434527846.db2.gz RSGSALQVAAAACQ-CQSZACIVSA-N 1 1 398.536 3.133 20 30 GGEDMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000268498248 1434527849 /nfs/dbraw/zinc/52/78/49/1434527849.db2.gz RSGSALQVAAAACQ-CQSZACIVSA-N 1 1 398.536 3.133 20 30 GGEDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000268498248 1434527851 /nfs/dbraw/zinc/52/78/51/1434527851.db2.gz RSGSALQVAAAACQ-CQSZACIVSA-N 1 1 398.536 3.133 20 30 GGEDMO Cc1nc([C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n[nH]1 ZINC000268498248 1434527854 /nfs/dbraw/zinc/52/78/54/1434527854.db2.gz RSGSALQVAAAACQ-CQSZACIVSA-N 1 1 398.536 3.133 20 30 GGEDMO Cc1nc([C@@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n[nH]1 ZINC000268498248 1434527857 /nfs/dbraw/zinc/52/78/57/1434527857.db2.gz RSGSALQVAAAACQ-CQSZACIVSA-N 1 1 398.536 3.133 20 30 GGEDMO N#Cc1ccnc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000268889420 1434567962 /nfs/dbraw/zinc/56/79/62/1434567962.db2.gz XWNWALKXRCJFNN-OALUTQOASA-N 1 1 377.448 3.352 20 30 GGEDMO CCOc1cc(C[N@H+](C)Cc2cccc(C#N)c2)nc2nc(C(F)(F)F)nn21 ZINC000268939603 1434573209 /nfs/dbraw/zinc/57/32/09/1434573209.db2.gz KFPHGKQOJPYHHY-UHFFFAOYSA-N 1 1 390.369 3.045 20 30 GGEDMO CCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)nc2nc(C(F)(F)F)nn21 ZINC000268939603 1434573213 /nfs/dbraw/zinc/57/32/13/1434573213.db2.gz KFPHGKQOJPYHHY-UHFFFAOYSA-N 1 1 390.369 3.045 20 30 GGEDMO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(Cl)c1 ZINC000269146797 1434597381 /nfs/dbraw/zinc/59/73/81/1434597381.db2.gz PPYQBRDESDEMFV-HKUYNNGSSA-N 1 1 398.894 3.216 20 30 GGEDMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000269419492 1434642498 /nfs/dbraw/zinc/64/24/98/1434642498.db2.gz LIYPBYJXUJATRE-UHFFFAOYSA-N 1 1 375.469 3.018 20 30 GGEDMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000269691846 1434669553 /nfs/dbraw/zinc/66/95/53/1434669553.db2.gz GAMTUHYQJHGACB-ZDUSSCGKSA-N 1 1 383.427 3.091 20 30 GGEDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000269691846 1434669554 /nfs/dbraw/zinc/66/95/54/1434669554.db2.gz GAMTUHYQJHGACB-ZDUSSCGKSA-N 1 1 383.427 3.091 20 30 GGEDMO CCOC(=O)Nc1ccc(NC(=O)NCCCCn2cc[nH+]c2C)cc1C#N ZINC000269805963 1434677171 /nfs/dbraw/zinc/67/71/71/1434677171.db2.gz CWQOEVTWFLPETQ-UHFFFAOYSA-N 1 1 384.440 3.234 20 30 GGEDMO CCOC(=O)Nc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1C#N ZINC000269856552 1434682018 /nfs/dbraw/zinc/68/20/18/1434682018.db2.gz SPNKQJRZQIEBPR-HNNXBMFYSA-N 1 1 387.484 3.226 20 30 GGEDMO C#CC[C@H](NC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccccc1 ZINC000270355563 1434725963 /nfs/dbraw/zinc/72/59/63/1434725963.db2.gz WYMPJXDPVDCXCQ-FQEVSTJZSA-N 1 1 377.492 3.126 20 30 GGEDMO C#CC[C@H](NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000270411474 1434731322 /nfs/dbraw/zinc/73/13/22/1434731322.db2.gz LMNFFGILEJMMTH-JQVVWYNYSA-N 1 1 383.536 3.282 20 30 GGEDMO N#CCOc1cccc(CC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000270426141 1434732151 /nfs/dbraw/zinc/73/21/51/1434732151.db2.gz ASAGQHPURDYPRB-UHFFFAOYSA-N 1 1 389.499 3.181 20 30 GGEDMO C=CCOc1cccc(NC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1 ZINC000270493011 1434738744 /nfs/dbraw/zinc/73/87/44/1434738744.db2.gz LQRJVTVPKVTKDS-UHFFFAOYSA-N 1 1 386.540 3.274 20 30 GGEDMO CC(C)N1CC[NH+](C2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000270612470 1434750591 /nfs/dbraw/zinc/75/05/91/1434750591.db2.gz NPFJQFCRJPGQRX-UHFFFAOYSA-N 1 1 389.931 3.234 20 30 GGEDMO N#Cc1ccnc(N2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)c1 ZINC000271032735 1434797416 /nfs/dbraw/zinc/79/74/16/1434797416.db2.gz HNIMOQAMFNVYOT-UHFFFAOYSA-N 1 1 385.471 3.249 20 30 GGEDMO N#CCCn1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(-c2ccccc2)n1 ZINC000271038518 1434797983 /nfs/dbraw/zinc/79/79/83/1434797983.db2.gz LGUXSCZDMDZQKH-UHFFFAOYSA-N 1 1 397.486 3.053 20 30 GGEDMO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)CC1 ZINC000271217957 1434808769 /nfs/dbraw/zinc/80/87/69/1434808769.db2.gz NXUWGUHRISJRPW-UHFFFAOYSA-N 1 1 383.584 3.027 20 30 GGEDMO C=CCOc1cccc(C[N@@H+]2CCCN(Cc3nc([C@H](C)OC)no3)CC2)c1 ZINC000271225684 1434809312 /nfs/dbraw/zinc/80/93/12/1434809312.db2.gz ALDBEKZJZKMXMX-KRWDZBQOSA-N 1 1 386.496 3.050 20 30 GGEDMO COC(=O)c1sc2[nH]c(C[NH2+][C@@H](C)c3ccc(C#N)cc3)nc(=O)c2c1C ZINC000271676444 1434843621 /nfs/dbraw/zinc/84/36/21/1434843621.db2.gz OSJLQIQPBROKKH-NSHDSACASA-N 1 1 382.445 3.214 20 30 GGEDMO C#CC[C@@H]([NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)c1ccccc1 ZINC000271755814 1434848209 /nfs/dbraw/zinc/84/82/09/1434848209.db2.gz YRNNFOYNQPPUJX-CQSZACIVSA-N 1 1 381.457 3.346 20 30 GGEDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917367 1434859177 /nfs/dbraw/zinc/85/91/77/1434859177.db2.gz ZGQWVRSROSMQKB-AVCGJXAMSA-N 1 1 379.504 3.123 20 30 GGEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC#N)cc1 ZINC000271917367 1434859178 /nfs/dbraw/zinc/85/91/78/1434859178.db2.gz ZGQWVRSROSMQKB-AVCGJXAMSA-N 1 1 379.504 3.123 20 30 GGEDMO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938909 1434860602 /nfs/dbraw/zinc/86/06/02/1434860602.db2.gz KZNJNHOTDIINLR-IERDGZPVSA-N 1 1 394.494 3.245 20 30 GGEDMO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C#N)c(F)c1 ZINC000271938909 1434860604 /nfs/dbraw/zinc/86/06/04/1434860604.db2.gz KZNJNHOTDIINLR-IERDGZPVSA-N 1 1 394.494 3.245 20 30 GGEDMO CC(C)C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271981062 1434863331 /nfs/dbraw/zinc/86/33/31/1434863331.db2.gz OWNBDTFJYYIMGM-YADHBBJMSA-N 1 1 398.551 3.369 20 30 GGEDMO C#CCC[NH+]1CCN(C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032243 1434867523 /nfs/dbraw/zinc/86/75/23/1434867523.db2.gz PHGUVPREFNHVLV-DQEYMECFSA-N 1 1 392.543 3.103 20 30 GGEDMO Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1CCC#N ZINC000272036829 1434867839 /nfs/dbraw/zinc/86/78/39/1434867839.db2.gz FGGMDSHQWFWKSO-LPHOPBHVSA-N 1 1 380.496 3.280 20 30 GGEDMO Cc1cc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1CCC#N ZINC000272052120 1434868849 /nfs/dbraw/zinc/86/88/49/1434868849.db2.gz HPPNRGSTUZVLAH-IBGZPJMESA-N 1 1 380.496 3.234 20 30 GGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000272059980 1434869503 /nfs/dbraw/zinc/86/95/03/1434869503.db2.gz IRQUYGCYODSMQA-HXUWFJFHSA-N 1 1 394.523 3.481 20 30 GGEDMO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)nn1CCC#N ZINC000272121682 1434873497 /nfs/dbraw/zinc/87/34/97/1434873497.db2.gz SIOFOYWMBGKXQA-GOSISDBHSA-N 1 1 380.496 3.234 20 30 GGEDMO COC(=O)[C@H](N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000272183086 1434876494 /nfs/dbraw/zinc/87/64/94/1434876494.db2.gz ITQOJLVGRACYHT-VOQZNFBZSA-N 1 1 377.488 3.273 20 30 GGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cncnc3-c3ccccc3)CC2)cc1 ZINC000272182868 1434876596 /nfs/dbraw/zinc/87/65/96/1434876596.db2.gz DCFRKUONDWQANL-UHFFFAOYSA-N 1 1 397.482 3.363 20 30 GGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cncnc3-c3ccccc3)CC2)cc1 ZINC000272182868 1434876598 /nfs/dbraw/zinc/87/65/98/1434876598.db2.gz DCFRKUONDWQANL-UHFFFAOYSA-N 1 1 397.482 3.363 20 30 GGEDMO C=CC[N@@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)CCc1ccco1 ZINC000272315250 1434886861 /nfs/dbraw/zinc/88/68/61/1434886861.db2.gz SKBGFDYYJCFEDY-UHFFFAOYSA-N 1 1 388.464 3.365 20 30 GGEDMO CC(C)c1nc(C2CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)no1 ZINC000272375454 1434891391 /nfs/dbraw/zinc/89/13/91/1434891391.db2.gz VEQPDQYVKDENJT-LJQANCHMSA-N 1 1 393.491 3.440 20 30 GGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@@H]2C1 ZINC000272380243 1434892110 /nfs/dbraw/zinc/89/21/10/1434892110.db2.gz BRQYKYPGZJMHRP-DENIHFKCSA-N 1 1 375.472 3.303 20 30 GGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@H]2C1 ZINC000272380247 1434892190 /nfs/dbraw/zinc/89/21/90/1434892190.db2.gz BRQYKYPGZJMHRP-KNQAVFIVSA-N 1 1 375.472 3.303 20 30 GGEDMO C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272471197 1434898696 /nfs/dbraw/zinc/89/86/96/1434898696.db2.gz TUIUMVBYXWMWGW-GHTZIAJQSA-N 1 1 392.503 3.299 20 30 GGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000272489331 1434899920 /nfs/dbraw/zinc/89/99/20/1434899920.db2.gz MYERYLLTXXHGLU-RDJZCZTQSA-N 1 1 386.496 3.122 20 30 GGEDMO CCCCC[N@H+](CCCOC)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000272506846 1434901746 /nfs/dbraw/zinc/90/17/46/1434901746.db2.gz FNBNOBFYVZQTTR-KRWDZBQOSA-N 1 1 384.480 3.040 20 30 GGEDMO CCCCC[N@@H+](CCCOC)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000272506846 1434901749 /nfs/dbraw/zinc/90/17/49/1434901749.db2.gz FNBNOBFYVZQTTR-KRWDZBQOSA-N 1 1 384.480 3.040 20 30 GGEDMO COCC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccco1 ZINC000272532700 1434905046 /nfs/dbraw/zinc/90/50/46/1434905046.db2.gz ZCXVYDXNYXJOFJ-IRXDYDNUSA-N 1 1 385.464 3.291 20 30 GGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000272540143 1434906072 /nfs/dbraw/zinc/90/60/72/1434906072.db2.gz ROZRIMLIJVJMCW-WBVHZDCISA-N 1 1 386.496 3.122 20 30 GGEDMO COCC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000272613714 1434915128 /nfs/dbraw/zinc/91/51/28/1434915128.db2.gz VXKRDJYLJQVNJL-FQEVSTJZSA-N 1 1 396.491 3.146 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000272977419 1434945813 /nfs/dbraw/zinc/94/58/13/1434945813.db2.gz PTDWZJDZLDDOST-KRWDZBQOSA-N 1 1 395.507 3.242 20 30 GGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000272977419 1434945816 /nfs/dbraw/zinc/94/58/16/1434945816.db2.gz PTDWZJDZLDDOST-KRWDZBQOSA-N 1 1 395.507 3.242 20 30 GGEDMO C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000272983346 1434946444 /nfs/dbraw/zinc/94/64/44/1434946444.db2.gz LJTCPHVPXCLASO-JTSKRJEESA-N 1 1 392.503 3.075 20 30 GGEDMO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)n[nH]1 ZINC000273036005 1434953226 /nfs/dbraw/zinc/95/32/26/1434953226.db2.gz VMZXCZZMRBDHJE-INIZCTEOSA-N 1 1 383.471 3.372 20 30 GGEDMO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)[nH]n1 ZINC000273036005 1434953228 /nfs/dbraw/zinc/95/32/28/1434953228.db2.gz VMZXCZZMRBDHJE-INIZCTEOSA-N 1 1 383.471 3.372 20 30 GGEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000273063010 1434956638 /nfs/dbraw/zinc/95/66/38/1434956638.db2.gz TZQYFJQEENHGOS-UHFFFAOYSA-N 1 1 399.520 3.070 20 30 GGEDMO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000273063010 1434956641 /nfs/dbraw/zinc/95/66/41/1434956641.db2.gz TZQYFJQEENHGOS-UHFFFAOYSA-N 1 1 399.520 3.070 20 30 GGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)c2nccs2)c(OC)c1 ZINC000273097826 1434960646 /nfs/dbraw/zinc/96/06/46/1434960646.db2.gz VAABYDMRWGQXPW-RDJZCZTQSA-N 1 1 376.522 3.355 20 30 GGEDMO C#CCC[NH+]1CCN(C(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000273109129 1434962220 /nfs/dbraw/zinc/96/22/20/1434962220.db2.gz KKOJVVOKKUEMAN-UHFFFAOYSA-N 1 1 377.366 3.142 20 30 GGEDMO Cc1ccnc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1C#N ZINC000273346407 1434982252 /nfs/dbraw/zinc/98/22/52/1434982252.db2.gz OMWMSJFCLQKSPR-UHFFFAOYSA-N 1 1 380.492 3.363 20 30 GGEDMO COc1ccccc1-c1noc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2OC)n1 ZINC000273379031 1434984641 /nfs/dbraw/zinc/98/46/41/1434984641.db2.gz MPYSEVBRVGMKLE-AWEZNQCLSA-N 1 1 394.431 3.355 20 30 GGEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273392091 1434985701 /nfs/dbraw/zinc/98/57/01/1434985701.db2.gz FJMYIFGICYZQOK-SFTDATJTSA-N 1 1 381.451 3.166 20 30 GGEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273538486 1434995489 /nfs/dbraw/zinc/99/54/89/1434995489.db2.gz SOEFTMBMGUDZRD-JAXLGGSGSA-N 1 1 384.451 3.289 20 30 GGEDMO Cc1cc(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nn1CCC#N ZINC000274445103 1435071533 /nfs/dbraw/zinc/07/15/33/1435071533.db2.gz UDDOYTGKBRJGGH-IBGZPJMESA-N 1 1 382.512 3.383 20 30 GGEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788820 1435092581 /nfs/dbraw/zinc/09/25/81/1435092581.db2.gz BOHAZDDEWPJURT-IRFCIJBXSA-N 1 1 382.552 3.218 20 30 GGEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000274788820 1435092584 /nfs/dbraw/zinc/09/25/84/1435092584.db2.gz BOHAZDDEWPJURT-IRFCIJBXSA-N 1 1 382.552 3.218 20 30 GGEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796718 1435093245 /nfs/dbraw/zinc/09/32/45/1435093245.db2.gz DHEJYKRTBLRVFC-LQWHRVPQSA-N 1 1 376.504 3.385 20 30 GGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000274796718 1435093247 /nfs/dbraw/zinc/09/32/47/1435093247.db2.gz DHEJYKRTBLRVFC-LQWHRVPQSA-N 1 1 376.504 3.385 20 30 GGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](O)C(C)(C)C3)sc2C1 ZINC000275414349 1435137766 /nfs/dbraw/zinc/13/77/66/1435137766.db2.gz GPLPENCEZKICKI-SUMWQHHRSA-N 1 1 375.538 3.166 20 30 GGEDMO Cc1cc(NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)nn1CCC#N ZINC000275755933 1435166088 /nfs/dbraw/zinc/16/60/88/1435166088.db2.gz OUOYENSOHXXYEK-MRXNPFEDSA-N 1 1 382.468 3.142 20 30 GGEDMO Cc1noc(C[C@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)c2ccccc2)n1 ZINC000277245745 1435284190 /nfs/dbraw/zinc/28/41/90/1435284190.db2.gz PWNGQXKTNSBHKE-KRWDZBQOSA-N 1 1 395.488 3.440 20 30 GGEDMO Cc1noc(C[C@@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)c2ccccc2)n1 ZINC000277245748 1435284470 /nfs/dbraw/zinc/28/44/70/1435284470.db2.gz PWNGQXKTNSBHKE-QGZVFWFLSA-N 1 1 395.488 3.440 20 30 GGEDMO N#CCOc1cccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000277418282 1435303381 /nfs/dbraw/zinc/30/33/81/1435303381.db2.gz GYUQQYZNRVOAON-OAQYLSRUSA-N 1 1 394.475 3.002 20 30 GGEDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccccc2-c2ccccc2C#N)CCCO1 ZINC000277523424 1435310476 /nfs/dbraw/zinc/31/04/76/1435310476.db2.gz LEOVQQZHGCIPFV-SFHVURJKSA-N 1 1 377.488 3.456 20 30 GGEDMO N#CCOc1cccc(NC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000277539725 1435311328 /nfs/dbraw/zinc/31/13/28/1435311328.db2.gz UBVNFXATZBCINJ-IBGZPJMESA-N 1 1 396.516 3.328 20 30 GGEDMO N#CCOc1cccc(NC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000277539725 1435311330 /nfs/dbraw/zinc/31/13/30/1435311330.db2.gz UBVNFXATZBCINJ-IBGZPJMESA-N 1 1 396.516 3.328 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000277672247 1435320871 /nfs/dbraw/zinc/32/08/71/1435320871.db2.gz FTFHZQOGMVJLCZ-YJBOKZPZSA-N 1 1 378.398 3.094 20 30 GGEDMO Cn1cc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000277672244 1435320905 /nfs/dbraw/zinc/32/09/05/1435320905.db2.gz FTFHZQOGMVJLCZ-QAPCUYQASA-N 1 1 378.398 3.094 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(Cc3cn4cc(Cl)cc(Cl)c4n3)no2)CC1 ZINC000277715159 1435324085 /nfs/dbraw/zinc/32/40/85/1435324085.db2.gz AJOXDYGGYZIBEN-UHFFFAOYSA-N 1 1 390.274 3.428 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277756246 1435327536 /nfs/dbraw/zinc/32/75/36/1435327536.db2.gz JUAMLASORMAZRY-UONOGXRCSA-N 1 1 397.445 3.339 20 30 GGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277756246 1435327537 /nfs/dbraw/zinc/32/75/37/1435327537.db2.gz JUAMLASORMAZRY-UONOGXRCSA-N 1 1 397.445 3.339 20 30 GGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277778839 1435329592 /nfs/dbraw/zinc/32/95/92/1435329592.db2.gz NQGZRIMOHGONGR-SFHVURJKSA-N 1 1 377.488 3.202 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(Cc3ccc(-n4nc(C)cc4C)cc3)no2)CC1 ZINC000277907123 1435341464 /nfs/dbraw/zinc/34/14/64/1435341464.db2.gz MFJBJNJEHGQIHV-UHFFFAOYSA-N 1 1 375.476 3.276 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000278039322 1435352738 /nfs/dbraw/zinc/35/27/38/1435352738.db2.gz CFLSBBAQUBLIEN-FQEVSTJZSA-N 1 1 389.521 3.152 20 30 GGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000278039322 1435352739 /nfs/dbraw/zinc/35/27/39/1435352739.db2.gz CFLSBBAQUBLIEN-FQEVSTJZSA-N 1 1 389.521 3.152 20 30 GGEDMO C#CC[NH+]1CCC(c2nc(Cc3ccc(OC)c(OC)c3Cl)no2)CC1 ZINC000278191594 1435368000 /nfs/dbraw/zinc/36/80/00/1435368000.db2.gz VANAKFDDKUYAOK-UHFFFAOYSA-N 1 1 375.856 3.144 20 30 GGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278318334 1435379233 /nfs/dbraw/zinc/37/92/33/1435379233.db2.gz NITQBGWAISAVSX-QGZVFWFLSA-N 1 1 396.466 3.399 20 30 GGEDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000278401750 1435387791 /nfs/dbraw/zinc/38/77/91/1435387791.db2.gz WQBSZJBMRXPMPX-UGKGYDQZSA-N 1 1 380.488 3.071 20 30 GGEDMO N#Cc1ccc(CSc2nnc(NC(=O)C34CCC[NH+]3CCC4)s2)cc1 ZINC000278508579 1435395978 /nfs/dbraw/zinc/39/59/78/1435395978.db2.gz DSTMPYIOQJUXHN-UHFFFAOYSA-N 1 1 385.518 3.269 20 30 GGEDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc(N(C)CCC#N)cc3)n2)c1 ZINC000278871796 1435433732 /nfs/dbraw/zinc/43/37/32/1435433732.db2.gz YSEZEHLXFKHNEO-MRXNPFEDSA-N 1 1 375.480 3.376 20 30 GGEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278918014 1435439668 /nfs/dbraw/zinc/43/96/68/1435439668.db2.gz REQDTJVASNANKD-MRXNPFEDSA-N 1 1 377.492 3.298 20 30 GGEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000278940196 1435442538 /nfs/dbraw/zinc/44/25/38/1435442538.db2.gz XMQIBOBUMJOWQC-ZDUSSCGKSA-N 1 1 396.413 3.294 20 30 GGEDMO Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000278951711 1435444289 /nfs/dbraw/zinc/44/42/89/1435444289.db2.gz ZMKGABJANLOVOG-UHFFFAOYSA-N 1 1 391.880 3.147 20 30 GGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C)C1 ZINC000279110778 1435461510 /nfs/dbraw/zinc/46/15/10/1435461510.db2.gz UUTWUDWTUWPOGP-QFBILLFUSA-N 1 1 396.491 3.080 20 30 GGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H](C)C1 ZINC000279110769 1435461522 /nfs/dbraw/zinc/46/15/22/1435461522.db2.gz UUTWUDWTUWPOGP-APWZRJJASA-N 1 1 396.491 3.080 20 30 GGEDMO C=C(C)[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000279117304 1435461968 /nfs/dbraw/zinc/46/19/68/1435461968.db2.gz WOPOFGZYDFYIDV-YWZLYKJASA-N 1 1 393.478 3.477 20 30 GGEDMO N#CCCn1cc(C[N@H+](CCCO)Cc2ccccc2)c(-c2ccncc2)n1 ZINC000279325342 1435486706 /nfs/dbraw/zinc/48/67/06/1435486706.db2.gz CCIZJOFYTAIVCH-UHFFFAOYSA-N 1 1 375.476 3.243 20 30 GGEDMO C#CCn1ccc(CN(CC)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC000279334897 1435487776 /nfs/dbraw/zinc/48/77/76/1435487776.db2.gz ZQHCXHYZNBCAFY-UHFFFAOYSA-N 1 1 381.524 3.088 20 30 GGEDMO C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000279404537 1435495519 /nfs/dbraw/zinc/49/55/19/1435495519.db2.gz HJANACBVTINNEG-PZJWPPBQSA-N 1 1 393.535 3.101 20 30 GGEDMO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000279409118 1435496069 /nfs/dbraw/zinc/49/60/69/1435496069.db2.gz VSXKWRNVODQLSZ-OAQYLSRUSA-N 1 1 384.480 3.057 20 30 GGEDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000279409118 1435496073 /nfs/dbraw/zinc/49/60/73/1435496073.db2.gz VSXKWRNVODQLSZ-OAQYLSRUSA-N 1 1 384.480 3.057 20 30 GGEDMO C=C[C@@](C)(O)CC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279413424 1435496625 /nfs/dbraw/zinc/49/66/25/1435496625.db2.gz KRBGWTCZKWWMIK-PKOBYXMFSA-N 1 1 384.442 3.227 20 30 GGEDMO COc1cc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)ccc1O ZINC000279422117 1435497561 /nfs/dbraw/zinc/49/75/61/1435497561.db2.gz PAWPCDXATLTJCB-UHFFFAOYSA-N 1 1 377.448 3.205 20 30 GGEDMO N#Cc1cccc(-c2cc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)on2)c1 ZINC000279571206 1435514220 /nfs/dbraw/zinc/51/42/20/1435514220.db2.gz VXTMBXDFTXIRCS-PXNSSMCTSA-N 1 1 376.460 3.302 20 30 GGEDMO N#Cc1cccc(-c2cc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)on2)c1 ZINC000279571234 1435514238 /nfs/dbraw/zinc/51/42/38/1435514238.db2.gz VXTMBXDFTXIRCS-YLJYHZDGSA-N 1 1 376.460 3.302 20 30 GGEDMO CC(C)(CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000279691155 1435530184 /nfs/dbraw/zinc/53/01/84/1435530184.db2.gz HWYBMLNCMSJKOY-JOCHJYFZSA-N 1 1 386.499 3.194 20 30 GGEDMO CC(C)(CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000279691162 1435530549 /nfs/dbraw/zinc/53/05/49/1435530549.db2.gz HWYBMLNCMSJKOY-QFIPXVFZSA-N 1 1 386.499 3.194 20 30 GGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CCCCCO)c1C#N ZINC000279704318 1435532583 /nfs/dbraw/zinc/53/25/83/1435532583.db2.gz JNNFYECAQDDTES-UHFFFAOYSA-N 1 1 382.508 3.058 20 30 GGEDMO C#CCn1ccc(C[N@H+](CC)CCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000279786581 1435542791 /nfs/dbraw/zinc/54/27/91/1435542791.db2.gz UZQOUXBUQCGRSR-UHFFFAOYSA-N 1 1 378.398 3.386 20 30 GGEDMO C#CCn1ccc(C[N@@H+](CC)CCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000279786581 1435542794 /nfs/dbraw/zinc/54/27/94/1435542794.db2.gz UZQOUXBUQCGRSR-UHFFFAOYSA-N 1 1 378.398 3.386 20 30 GGEDMO C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000280037320 1435580746 /nfs/dbraw/zinc/58/07/46/1435580746.db2.gz LITALOPBRYCULQ-FQEVSTJZSA-N 1 1 375.538 3.454 20 30 GGEDMO C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280158649 1435601302 /nfs/dbraw/zinc/60/13/02/1435601302.db2.gz RXTCQKPQGSDEQP-CDNPAEQRSA-N 1 1 386.499 3.267 20 30 GGEDMO COC(=O)c1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)sc1C ZINC000280250920 1435618451 /nfs/dbraw/zinc/61/84/51/1435618451.db2.gz BXGZSOVMDYXFHN-MRXNPFEDSA-N 1 1 398.488 3.276 20 30 GGEDMO COC(=O)c1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)sc1C ZINC000280250920 1435618452 /nfs/dbraw/zinc/61/84/52/1435618452.db2.gz BXGZSOVMDYXFHN-MRXNPFEDSA-N 1 1 398.488 3.276 20 30 GGEDMO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280266115 1435621778 /nfs/dbraw/zinc/62/17/78/1435621778.db2.gz CMGQYRDZMSQCJE-IBGZPJMESA-N 1 1 398.894 3.135 20 30 GGEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280266115 1435621782 /nfs/dbraw/zinc/62/17/82/1435621782.db2.gz CMGQYRDZMSQCJE-IBGZPJMESA-N 1 1 398.894 3.135 20 30 GGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280289362 1435627104 /nfs/dbraw/zinc/62/71/04/1435627104.db2.gz FALLNCXLNRDCSR-SXSPYAJSSA-N 1 1 386.499 3.267 20 30 GGEDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000280332982 1435637443 /nfs/dbraw/zinc/63/74/43/1435637443.db2.gz RGSKMXDXIJJMLR-HDICACEKSA-N 1 1 383.536 3.449 20 30 GGEDMO C[C@@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000280381553 1435649412 /nfs/dbraw/zinc/64/94/12/1435649412.db2.gz MRMZGZAVLVJACA-XXBNENTESA-N 1 1 386.499 3.364 20 30 GGEDMO N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000280399219 1435653406 /nfs/dbraw/zinc/65/34/06/1435653406.db2.gz XPVHCBKUTKINPZ-NRFANRHFSA-N 1 1 399.454 3.290 20 30 GGEDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H](C)O2 ZINC000280462515 1435664883 /nfs/dbraw/zinc/66/48/83/1435664883.db2.gz MJQLJOQLRGGZGK-JBYIUTFZSA-N 1 1 380.492 3.232 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000280472119 1435666470 /nfs/dbraw/zinc/66/64/70/1435666470.db2.gz CRZXEQJELKDMDU-FQEVSTJZSA-N 1 1 390.487 3.190 20 30 GGEDMO CC(C)(C#N)c1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000280472119 1435666471 /nfs/dbraw/zinc/66/64/71/1435666471.db2.gz CRZXEQJELKDMDU-FQEVSTJZSA-N 1 1 390.487 3.190 20 30 GGEDMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000280479147 1435667310 /nfs/dbraw/zinc/66/73/10/1435667310.db2.gz DIFDNXLSPWFCBT-UHFFFAOYSA-N 1 1 390.487 3.128 20 30 GGEDMO N#Cc1ccc(-c2nnc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)o2)cc1 ZINC000280550572 1435678318 /nfs/dbraw/zinc/67/83/18/1435678318.db2.gz UHNZAPKZUHCXBX-OYRHEFFESA-N 1 1 385.471 3.172 20 30 GGEDMO Cc1oc(C#N)cc1C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000280758620 1435715349 /nfs/dbraw/zinc/71/53/49/1435715349.db2.gz NBQNSIGLYWLVJY-UHFFFAOYSA-N 1 1 380.448 3.445 20 30 GGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280976308 1435750158 /nfs/dbraw/zinc/75/01/58/1435750158.db2.gz RXWXTOJDVMMPIS-BVYCBKJFSA-N 1 1 378.520 3.354 20 30 GGEDMO N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)ccc1Cl ZINC000280998524 1435753940 /nfs/dbraw/zinc/75/39/40/1435753940.db2.gz NQOLEDWLEYGAID-QGZVFWFLSA-N 1 1 388.899 3.063 20 30 GGEDMO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1Cl ZINC000281081018 1435769947 /nfs/dbraw/zinc/76/99/47/1435769947.db2.gz SXGAJTVJEPCWRP-KRWDZBQOSA-N 1 1 388.899 3.063 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000281088853 1435772138 /nfs/dbraw/zinc/77/21/38/1435772138.db2.gz PVILIRPGQBJHIZ-APWZRJJASA-N 1 1 375.538 3.338 20 30 GGEDMO C[C@@H](CN1CCOCC1)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281135178 1435782077 /nfs/dbraw/zinc/78/20/77/1435782077.db2.gz ACYXCOBHTUXSGY-NRFANRHFSA-N 1 1 385.552 3.310 20 30 GGEDMO N#CC1(CCC[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CCOCC1 ZINC000281151543 1435785073 /nfs/dbraw/zinc/78/50/73/1435785073.db2.gz BKIHPVWTAFHVIE-UHFFFAOYSA-N 1 1 380.492 3.026 20 30 GGEDMO CN(C(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1)c1ccccc1 ZINC000281162496 1435786752 /nfs/dbraw/zinc/78/67/52/1435786752.db2.gz PVSSHKHISWQUOL-INIZCTEOSA-N 1 1 396.878 3.135 20 30 GGEDMO CN(C(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1)c1ccccc1 ZINC000281162496 1435786759 /nfs/dbraw/zinc/78/67/59/1435786759.db2.gz PVSSHKHISWQUOL-INIZCTEOSA-N 1 1 396.878 3.135 20 30 GGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000281286562 1435802390 /nfs/dbraw/zinc/80/23/90/1435802390.db2.gz OUCRBLNTENQLKA-ICSRJNTNSA-N 1 1 391.519 3.471 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000281352867 1435805043 /nfs/dbraw/zinc/80/50/43/1435805043.db2.gz DQDIUNJSHRIPJA-LZJOCLMNSA-N 1 1 399.535 3.083 20 30 GGEDMO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@@H](C)C1 ZINC000281451483 1435809461 /nfs/dbraw/zinc/80/94/61/1435809461.db2.gz AHKZHXYBXDTTOX-JXFKEZNVSA-N 1 1 394.519 3.463 20 30 GGEDMO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@@H](C)C1 ZINC000281451483 1435809462 /nfs/dbraw/zinc/80/94/62/1435809462.db2.gz AHKZHXYBXDTTOX-JXFKEZNVSA-N 1 1 394.519 3.463 20 30 GGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@@H](C)C1 ZINC000281451488 1435809524 /nfs/dbraw/zinc/80/95/24/1435809524.db2.gz AHKZHXYBXDTTOX-OXJNMPFZSA-N 1 1 394.519 3.463 20 30 GGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@@H](C)C1 ZINC000281451488 1435809525 /nfs/dbraw/zinc/80/95/25/1435809525.db2.gz AHKZHXYBXDTTOX-OXJNMPFZSA-N 1 1 394.519 3.463 20 30 GGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000281473281 1435810328 /nfs/dbraw/zinc/81/03/28/1435810328.db2.gz HLIDPSDPKWGAMW-NRSPTQNISA-N 1 1 386.540 3.059 20 30 GGEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)sc2C1 ZINC000281513149 1435811768 /nfs/dbraw/zinc/81/17/68/1435811768.db2.gz XLTSCCWCWANMDH-UHFFFAOYSA-N 1 1 392.488 3.219 20 30 GGEDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)sc2C1 ZINC000281513149 1435811769 /nfs/dbraw/zinc/81/17/69/1435811769.db2.gz XLTSCCWCWANMDH-UHFFFAOYSA-N 1 1 392.488 3.219 20 30 GGEDMO N#CC1(CCC[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)CCOCC1 ZINC000281973267 1435829181 /nfs/dbraw/zinc/82/91/81/1435829181.db2.gz LINJCQYVHVOGIL-UHFFFAOYSA-N 1 1 383.536 3.254 20 30 GGEDMO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[C@H](C)C1 ZINC000282048930 1435832609 /nfs/dbraw/zinc/83/26/09/1435832609.db2.gz AYYBNYJNACAWNN-PBHICJAKSA-N 1 1 384.480 3.056 20 30 GGEDMO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)[C@H](C)C1 ZINC000282048930 1435832610 /nfs/dbraw/zinc/83/26/10/1435832610.db2.gz AYYBNYJNACAWNN-PBHICJAKSA-N 1 1 384.480 3.056 20 30 GGEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000282172262 1435837272 /nfs/dbraw/zinc/83/72/72/1435837272.db2.gz DUPURFDNUNJYPH-PZJWPPBQSA-N 1 1 388.519 3.456 20 30 GGEDMO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000282316716 1435842874 /nfs/dbraw/zinc/84/28/74/1435842874.db2.gz PWSRBZJRWZQUKE-SFHVURJKSA-N 1 1 399.539 3.220 20 30 GGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000282364691 1435844546 /nfs/dbraw/zinc/84/45/46/1435844546.db2.gz WLZWBJPGBLJONK-UHFFFAOYSA-N 1 1 387.443 3.131 20 30 GGEDMO C=CCn1c(Cc2ccccn2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000282418341 1435846434 /nfs/dbraw/zinc/84/64/34/1435846434.db2.gz XWESYSZFKFMSMP-UHFFFAOYSA-N 1 1 382.556 3.398 20 30 GGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282442653 1435847280 /nfs/dbraw/zinc/84/72/80/1435847280.db2.gz ZORMOFVOKVJSDO-MRXNPFEDSA-N 1 1 389.569 3.086 20 30 GGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000282605182 1435853403 /nfs/dbraw/zinc/85/34/03/1435853403.db2.gz YMQYMGSWFDEJAF-GOSISDBHSA-N 1 1 382.533 3.449 20 30 GGEDMO CCN1CC[NH+]([C@@H]2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)C2)CC1 ZINC000282879554 1435864367 /nfs/dbraw/zinc/86/43/67/1435864367.db2.gz QYWWLHNQTRIWJE-QGZVFWFLSA-N 1 1 383.927 3.285 20 30 GGEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c1 ZINC000283206986 1435879412 /nfs/dbraw/zinc/87/94/12/1435879412.db2.gz RSOCWQLBJUZYAR-UHFFFAOYSA-N 1 1 382.395 3.456 20 30 GGEDMO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000283396211 1435887824 /nfs/dbraw/zinc/88/78/24/1435887824.db2.gz WHQSPYSOHHAEQV-RBUKOAKNSA-N 1 1 397.571 3.346 20 30 GGEDMO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000283549792 1435895024 /nfs/dbraw/zinc/89/50/24/1435895024.db2.gz PUXMQJNZJOIRKS-UHFFFAOYSA-N 1 1 398.555 3.027 20 30 GGEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000283581621 1435896557 /nfs/dbraw/zinc/89/65/57/1435896557.db2.gz KJLNLRXJECNKQY-XLIONFOSSA-N 1 1 378.524 3.369 20 30 GGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283674271 1435901231 /nfs/dbraw/zinc/90/12/31/1435901231.db2.gz VMRWIASQRYJFLX-NRFANRHFSA-N 1 1 377.488 3.169 20 30 GGEDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000283794811 1435925230 /nfs/dbraw/zinc/92/52/30/1435925230.db2.gz UQCKEFVZHCYVFT-RZUBCFFCSA-N 1 1 387.487 3.107 20 30 GGEDMO CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000284109133 1435992210 /nfs/dbraw/zinc/99/22/10/1435992210.db2.gz GPQSBWSADAVFGW-RTWAWAEBSA-N 1 1 386.515 3.107 20 30 GGEDMO COc1ccc([C@H](CN(C)C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000284243786 1436006728 /nfs/dbraw/zinc/00/67/28/1436006728.db2.gz FGDQDUWNSSKPTQ-DEOSSOPVSA-N 1 1 392.547 3.424 20 30 GGEDMO Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)Nc2ccc(CC#N)cc2)cn1 ZINC000284608441 1436033849 /nfs/dbraw/zinc/03/38/49/1436033849.db2.gz AINZTEBSMSUEIQ-PKTZIBPZSA-N 1 1 399.498 3.340 20 30 GGEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164651792 719317858 /nfs/dbraw/zinc/31/78/58/719317858.db2.gz HXFWUIDWUYYYEW-UHFFFAOYSA-N 1 1 378.524 3.234 20 30 GGEDMO C[N@H+]1CCO[C@H]2CN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)C[C@H]21 ZINC001164667222 719397445 /nfs/dbraw/zinc/39/74/45/719397445.db2.gz NGUIPZXWTBBMTA-MSOLQXFVSA-N 1 1 376.485 3.354 20 30 GGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)ncc2C#N)CC3)cs1 ZINC001164691203 719806039 /nfs/dbraw/zinc/80/60/39/719806039.db2.gz FQLGZNQBNJQWQJ-UHFFFAOYSA-N 1 1 388.928 3.402 20 30 GGEDMO COc1ccnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1C#N ZINC001164691969 719807387 /nfs/dbraw/zinc/80/73/87/719807387.db2.gz CWKMPMQSXNHRML-UHFFFAOYSA-N 1 1 383.521 3.362 20 30 GGEDMO Cc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(C=NO)c1 ZINC001164697691 719896463 /nfs/dbraw/zinc/89/64/63/719896463.db2.gz NPIRFCLZSKBRBE-UHFFFAOYSA-N 1 1 386.521 3.131 20 30 GGEDMO Cc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1CC#N ZINC001164706332 719899237 /nfs/dbraw/zinc/89/92/37/719899237.db2.gz HYGNNNZBRMLCRR-UHFFFAOYSA-N 1 1 382.533 3.389 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(Cl)c(C)c1C#N)C2 ZINC001164806385 720075493 /nfs/dbraw/zinc/07/54/93/720075493.db2.gz BUIGTZXUMIKYIS-DYESRHJHSA-N 1 1 388.943 3.408 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc(C#N)cc31)C2 ZINC001164809118 720101997 /nfs/dbraw/zinc/10/19/97/720101997.db2.gz HCFKXZAJRQJZLY-NZQKXSOJSA-N 1 1 376.504 3.291 20 30 GGEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C)c(C#N)n1)CC2 ZINC001164716947 720115590 /nfs/dbraw/zinc/11/55/90/720115590.db2.gz MBPMJVKMNIWEGK-HXUWFJFHSA-N 1 1 391.519 3.164 20 30 GGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(Cl)cc1C#N)C2 ZINC001164815468 720115893 /nfs/dbraw/zinc/11/58/93/720115893.db2.gz VUVBELMNAJRNDJ-HNAYVOBHSA-N 1 1 395.334 3.445 20 30 GGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3c(cc1C#N)CCCC3)C2 ZINC001164819545 720167739 /nfs/dbraw/zinc/16/77/39/720167739.db2.gz XSUOITGAQGSHGH-OFNKIYASSA-N 1 1 380.536 3.017 20 30 GGEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724869 720342874 /nfs/dbraw/zinc/34/28/74/720342874.db2.gz LAYIJVQSFBYVFT-SJORKVTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724869 720342887 /nfs/dbraw/zinc/34/28/87/720342887.db2.gz LAYIJVQSFBYVFT-SJORKVTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727872 720345954 /nfs/dbraw/zinc/34/59/54/720345954.db2.gz UROUMZRDLWVEHL-OALUTQOASA-N 1 1 390.878 3.403 20 30 GGEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727878 720346010 /nfs/dbraw/zinc/34/60/10/720346010.db2.gz UROUMZRDLWVEHL-RBUKOAKNSA-N 1 1 390.878 3.403 20 30 GGEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164725364 720391099 /nfs/dbraw/zinc/39/10/99/720391099.db2.gz MYWMIFPZIOKSBZ-HZPDHXFCSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164725364 720391103 /nfs/dbraw/zinc/39/11/03/720391103.db2.gz MYWMIFPZIOKSBZ-HZPDHXFCSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164726460 720391273 /nfs/dbraw/zinc/39/12/73/720391273.db2.gz OMWXDTOTTWNQQV-SJORKVTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726460 720391278 /nfs/dbraw/zinc/39/12/78/720391278.db2.gz OMWXDTOTTWNQQV-SJORKVTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164734803 720416263 /nfs/dbraw/zinc/41/62/63/720416263.db2.gz UQOVKACVUXUGQB-IRXDYDNUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164734803 720416266 /nfs/dbraw/zinc/41/62/66/720416266.db2.gz UQOVKACVUXUGQB-IRXDYDNUSA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164734801 720416778 /nfs/dbraw/zinc/41/67/78/720416778.db2.gz UQOVKACVUXUGQB-DLBZAZTESA-N 1 1 389.837 3.400 20 30 GGEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164734801 720416786 /nfs/dbraw/zinc/41/67/86/720416786.db2.gz UQOVKACVUXUGQB-DLBZAZTESA-N 1 1 389.837 3.400 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(C#N)cc3Cl)CC[C@@H]21 ZINC001164833377 720513072 /nfs/dbraw/zinc/51/30/72/720513072.db2.gz DLCPJXCNSRARRR-LNLFQRSKSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(Cl)c(C#N)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839043 720514007 /nfs/dbraw/zinc/51/40/07/720514007.db2.gz SDYUOGYXAYMGBD-TXPKVOOTSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)ncc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836091 720514477 /nfs/dbraw/zinc/51/44/77/720514477.db2.gz MHYLZAKYSXOUMW-BPQIPLTHSA-N 1 1 384.915 3.181 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c(C#N)c[nH]c4n3)CC[C@@H]21 ZINC001164840754 720556242 /nfs/dbraw/zinc/55/62/42/720556242.db2.gz SRQHHVAXYXFLPX-KPFFTGBYSA-N 1 1 389.507 3.009 20 30 GGEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4[nH]c(C#N)cc4n3)CC[C@@H]21 ZINC001164835581 720596798 /nfs/dbraw/zinc/59/67/98/720596798.db2.gz BNDGGYSWJAOADO-MMOPVJDHSA-N 1 1 389.507 3.009 20 30 GGEDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1CC#N ZINC001164836184 720615232 /nfs/dbraw/zinc/61/52/32/720615232.db2.gz FDDYOXCCYPIMTR-PCCBWWKXSA-N 1 1 378.524 3.030 20 30 GGEDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(Cl)cc1C#N ZINC001164840265 720643899 /nfs/dbraw/zinc/64/38/99/720643899.db2.gz PQPAYVWRBKTTAS-NLWGTHIKSA-N 1 1 398.942 3.489 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(F)cc1C#N)CC2 ZINC001164843279 720670356 /nfs/dbraw/zinc/67/03/56/720670356.db2.gz VUQICPBVUIUAIU-FQEVSTJZSA-N 1 1 380.467 3.352 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc(Cl)c1C#N)CC2 ZINC001164838211 720672462 /nfs/dbraw/zinc/67/24/62/720672462.db2.gz GGGQNSYWQWSXDL-QGZVFWFLSA-N 1 1 397.910 3.262 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164843611 720672555 /nfs/dbraw/zinc/67/25/55/720672555.db2.gz WISLRNUPHCIZFN-SFHVURJKSA-N 1 1 397.910 3.262 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164842746 720673807 /nfs/dbraw/zinc/67/38/07/720673807.db2.gz UAOWMTGKLFJTJG-GOSISDBHSA-N 1 1 397.910 3.262 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164842750 720675378 /nfs/dbraw/zinc/67/53/78/720675378.db2.gz UAOWMTGKLFJTJG-SFHVURJKSA-N 1 1 397.910 3.262 20 30 GGEDMO COc1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164845371 720682976 /nfs/dbraw/zinc/68/29/76/720682976.db2.gz YWWDMIKGBZGDDZ-LJQANCHMSA-N 1 1 392.503 3.222 20 30 GGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(F)c1C#N)CC2 ZINC001164844874 720698097 /nfs/dbraw/zinc/69/80/97/720698097.db2.gz VRQSBHSYIZUSPR-SFHVURJKSA-N 1 1 380.467 3.352 20 30 GGEDMO Cc1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C=NO)c1 ZINC001164842325 720705588 /nfs/dbraw/zinc/70/55/88/720705588.db2.gz YHEYTAGUXPSVPE-OAQYLSRUSA-N 1 1 394.519 3.458 20 30 GGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(F)cc1C#N)[C@@H]2C ZINC001164853474 720922412 /nfs/dbraw/zinc/92/24/12/720922412.db2.gz AXWQTOLYHVCYTM-GFCCVEGCSA-N 1 1 376.867 3.364 20 30 GGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)c(C#N)cc1C#N)[C@@H]2C ZINC001164856202 720957595 /nfs/dbraw/zinc/95/75/95/720957595.db2.gz CRSZHKPCHVOZGX-CYBMUJFWSA-N 1 1 383.887 3.096 20 30 GGEDMO Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164868162 721050177 /nfs/dbraw/zinc/05/01/77/721050177.db2.gz NJCYJVSTWUPHLB-ZWKOTPCHSA-N 1 1 397.910 3.098 20 30 GGEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@H]3C2)cn1 ZINC001164771322 721162396 /nfs/dbraw/zinc/16/23/96/721162396.db2.gz SAGJAWAHMVSKFX-LEWJYISDSA-N 1 1 393.611 3.002 20 30 GGEDMO C[Si](C)(C)C#Cc1cccnc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164787404 721417698 /nfs/dbraw/zinc/41/76/98/721417698.db2.gz QNAIQDFSLICXSO-HDICACEKSA-N 1 1 382.609 3.335 20 30 GGEDMO C[Si](C)(C)C#Cc1cccnc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164787404 721417699 /nfs/dbraw/zinc/41/76/99/721417699.db2.gz QNAIQDFSLICXSO-HDICACEKSA-N 1 1 382.609 3.335 20 30 GGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164793228 721492697 /nfs/dbraw/zinc/49/26/97/721492697.db2.gz QEVHRCPKZKKYAH-UHFFFAOYSA-N 1 1 382.899 3.278 20 30 GGEDMO N#Cc1cc(F)c(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900515 721510446 /nfs/dbraw/zinc/51/04/46/721510446.db2.gz RRAGQBXDDHJIAB-GDBMZVCRSA-N 1 1 390.821 3.227 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164809594 721532685 /nfs/dbraw/zinc/53/26/85/721532685.db2.gz VPXKMONCRRLAGU-BHIFYINESA-N 1 1 391.519 3.340 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164809594 721532690 /nfs/dbraw/zinc/53/26/90/721532690.db2.gz VPXKMONCRRLAGU-BHIFYINESA-N 1 1 391.519 3.340 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164809595 721533130 /nfs/dbraw/zinc/53/31/30/721533130.db2.gz VPXKMONCRRLAGU-FDFHNCONSA-N 1 1 391.519 3.340 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164809595 721533135 /nfs/dbraw/zinc/53/31/35/721533135.db2.gz VPXKMONCRRLAGU-FDFHNCONSA-N 1 1 391.519 3.340 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164809596 721533383 /nfs/dbraw/zinc/53/33/83/721533383.db2.gz VPXKMONCRRLAGU-FKBYEOEOSA-N 1 1 391.519 3.340 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164809596 721533388 /nfs/dbraw/zinc/53/33/88/721533388.db2.gz VPXKMONCRRLAGU-FKBYEOEOSA-N 1 1 391.519 3.340 20 30 GGEDMO N#Cc1cc2c(nc1N1CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164903109 721552658 /nfs/dbraw/zinc/55/26/58/721552658.db2.gz AMDBBXHRJTZRIA-FPOVZHCZSA-N 1 1 392.478 3.313 20 30 GGEDMO Cc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)cc1C#N ZINC001164906457 721566511 /nfs/dbraw/zinc/56/65/11/721566511.db2.gz JISJLEWEUCIJAB-FUHWJXTLSA-N 1 1 386.858 3.396 20 30 GGEDMO N#Cc1c(F)ccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908251 721710984 /nfs/dbraw/zinc/71/09/84/721710984.db2.gz WRFNIPDMGRYJFW-LJQANCHMSA-N 1 1 387.409 3.225 20 30 GGEDMO N#Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(F)c1 ZINC001164908277 721715335 /nfs/dbraw/zinc/71/53/35/721715335.db2.gz WUDSFZXWRDZYJC-LJQANCHMSA-N 1 1 387.409 3.225 20 30 GGEDMO N#CCc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907766 721716294 /nfs/dbraw/zinc/71/62/94/721716294.db2.gz TZTHZCJFUIEUOX-HXUWFJFHSA-N 1 1 383.446 3.280 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cnc1C#N)C2 ZINC001164908843 721748958 /nfs/dbraw/zinc/74/89/58/721748958.db2.gz LQNJRRXSKUGOTE-UHFFFAOYSA-N 1 1 394.866 3.184 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cnc1C#N)C2 ZINC001164908843 721748965 /nfs/dbraw/zinc/74/89/65/721748965.db2.gz LQNJRRXSKUGOTE-UHFFFAOYSA-N 1 1 394.866 3.184 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(C#N)c1F)C2 ZINC001164908973 721754431 /nfs/dbraw/zinc/75/44/31/721754431.db2.gz ASRBVFHKPLVQKN-UHFFFAOYSA-N 1 1 377.423 3.275 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc(C#N)c1F)C2 ZINC001164908973 721754435 /nfs/dbraw/zinc/75/44/35/721754435.db2.gz ASRBVFHKPLVQKN-UHFFFAOYSA-N 1 1 377.423 3.275 20 30 GGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(C#N)c[nH]c3n1)C2 ZINC001164909619 721759139 /nfs/dbraw/zinc/75/91/39/721759139.db2.gz KAXZEAXJODZWKT-UHFFFAOYSA-N 1 1 399.458 3.012 20 30 GGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(C#N)c[nH]c3n1)C2 ZINC001164909619 721759141 /nfs/dbraw/zinc/75/91/41/721759141.db2.gz KAXZEAXJODZWKT-UHFFFAOYSA-N 1 1 399.458 3.012 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)nc3C#N)C[C@@H]21 ZINC001165020371 721804622 /nfs/dbraw/zinc/80/46/22/721804622.db2.gz FHPBVFZMZFFTSW-QILLFSRXSA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)nc3C#N)C[C@H]21 ZINC001165020377 721804768 /nfs/dbraw/zinc/80/47/68/721804768.db2.gz FHPBVFZMZFFTSW-YXJHDRRASA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc(Cl)c3C#N)C[C@H]21 ZINC001165024019 721805370 /nfs/dbraw/zinc/80/53/70/721805370.db2.gz KRHSWEOJXSJYPF-ZTFGCOKTSA-N 1 1 382.899 3.134 20 30 GGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)cc3C#N)C[C@@H]21 ZINC001165024668 721806143 /nfs/dbraw/zinc/80/61/43/721806143.db2.gz MQYHUVFQOYXWLR-FHLIZLRMSA-N 1 1 382.899 3.134 20 30 GGEDMO COc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165018693 721808412 /nfs/dbraw/zinc/80/84/12/721808412.db2.gz BYBIBTSOSACUMA-FFZOFVMBSA-N 1 1 377.492 3.094 20 30 GGEDMO C=CCOc1cc(C)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025160 721813113 /nfs/dbraw/zinc/81/31/13/721813113.db2.gz LNDQTYYOVOCKPZ-SESVDKBCSA-N 1 1 393.535 3.482 20 30 GGEDMO COc1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ncc1C#N ZINC001164938547 721920428 /nfs/dbraw/zinc/92/04/28/721920428.db2.gz PPXINNBKUACQRL-UHFFFAOYSA-N 1 1 392.503 3.142 20 30 GGEDMO N#Cc1c(Cl)cc(Cl)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044453 721961881 /nfs/dbraw/zinc/96/18/81/721961881.db2.gz LRWGAZSERMGBLI-UHFFFAOYSA-N 1 1 377.275 3.461 20 30 GGEDMO N#Cc1cc(Cl)cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164962501 722058242 /nfs/dbraw/zinc/05/82/42/722058242.db2.gz SSMZWWDNROOFKF-UHFFFAOYSA-N 1 1 397.910 3.121 20 30 GGEDMO CC(C)c1ccc(C#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983910 722103292 /nfs/dbraw/zinc/10/32/92/722103292.db2.gz QYJWZCKFVCBVLP-IRLDBZIGSA-N 1 1 391.519 3.199 20 30 GGEDMO N#Cc1ccc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973855 722111021 /nfs/dbraw/zinc/11/10/21/722111021.db2.gz HNLFECKAVAJTMM-FYYLOGMGSA-N 1 1 399.498 3.229 20 30 GGEDMO N#Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccccc12 ZINC001164984991 722140019 /nfs/dbraw/zinc/14/00/19/722140019.db2.gz YRYKVFBCNKSDLT-CVDCTZTESA-N 1 1 399.498 3.229 20 30 GGEDMO Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(CC#N)c(C)[nH+]4)CC[C@H]32)cs1 ZINC001164993347 722185484 /nfs/dbraw/zinc/18/54/84/722185484.db2.gz YZSPPLCNMJYQLX-WOJBJXKFSA-N 1 1 397.548 3.091 20 30 GGEDMO COc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(F)cc1C#N ZINC001164995921 722207269 /nfs/dbraw/zinc/20/72/69/722207269.db2.gz PXTBMQSRIXSHDW-NRFANRHFSA-N 1 1 384.430 3.485 20 30 GGEDMO COc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(F)cc1C#N ZINC001164995921 722207270 /nfs/dbraw/zinc/20/72/70/722207270.db2.gz PXTBMQSRIXSHDW-NRFANRHFSA-N 1 1 384.430 3.485 20 30 GGEDMO C=CCNC(=O)c1cccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994411 722207531 /nfs/dbraw/zinc/20/75/31/722207531.db2.gz GHIQMJPIDXUIQF-HSZRJFAPSA-N 1 1 394.494 3.381 20 30 GGEDMO C=CCNC(=O)c1cccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994412 722207713 /nfs/dbraw/zinc/20/77/13/722207713.db2.gz GHIQMJPIDXUIQF-QHCPKHFHSA-N 1 1 394.494 3.381 20 30 GGEDMO