smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCCCN1CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500115977 1023514785 /nfs/dbraw/zinc/51/47/85/1023514785.db2.gz WLUMMFXCQZCKMF-KPQWGBOZSA-N 1 3 339.527 4.245 20 30 EIEDHO CC[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220901 1026343924 /nfs/dbraw/zinc/34/39/24/1026343924.db2.gz LEEULMLEQGTQEH-FYYLOGMGSA-N 1 3 347.506 4.164 20 30 EIEDHO CC[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220901 1026343939 /nfs/dbraw/zinc/34/39/39/1026343939.db2.gz LEEULMLEQGTQEH-FYYLOGMGSA-N 1 3 347.506 4.164 20 30 EIEDHO CC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220901 1026343954 /nfs/dbraw/zinc/34/39/54/1026343954.db2.gz LEEULMLEQGTQEH-FYYLOGMGSA-N 1 3 347.506 4.164 20 30 EIEDHO C#CCOc1ccc(CNC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000237410805 1026989659 /nfs/dbraw/zinc/98/96/59/1026989659.db2.gz TYYPNTWKMVOWMM-LJQANCHMSA-N 1 3 348.490 4.014 20 30 EIEDHO C[C@@H]1CC(N2CCC[C@H](CC#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058789 1029376664 /nfs/dbraw/zinc/37/66/64/1029376664.db2.gz CFNZOZZOPUYCDT-QWFCFKBJSA-N 1 3 325.500 4.054 20 30 EIEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336705 1036739610 /nfs/dbraw/zinc/73/96/10/1036739610.db2.gz FKVNNNXAWZCWQG-JOCHJYFZSA-N 1 3 333.479 4.176 20 30 EIEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336705 1036739626 /nfs/dbraw/zinc/73/96/26/1036739626.db2.gz FKVNNNXAWZCWQG-JOCHJYFZSA-N 1 3 333.479 4.176 20 30 EIEDHO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550818666 1039373710 /nfs/dbraw/zinc/37/37/10/1039373710.db2.gz PNTUEPLNCYNSKY-IRLDBZIGSA-N 1 3 336.479 4.177 20 30 EIEDHO C=CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550818666 1039373722 /nfs/dbraw/zinc/37/37/22/1039373722.db2.gz PNTUEPLNCYNSKY-IRLDBZIGSA-N 1 3 336.479 4.177 20 30 EIEDHO C[C@H](NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593919 1041550291 /nfs/dbraw/zinc/55/02/91/1041550291.db2.gz WJYSGCPGBHGBNL-FHWLQOOXSA-N 1 3 347.506 4.365 20 30 EIEDHO C#Cc1ccc(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000809606335 1048413855 /nfs/dbraw/zinc/41/38/55/1048413855.db2.gz ZEMGRYHDWWYLRH-IBGZPJMESA-N 1 3 332.491 4.332 20 30 EIEDHO C#Cc1ccc(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000809606335 1048413861 /nfs/dbraw/zinc/41/38/61/1048413861.db2.gz ZEMGRYHDWWYLRH-IBGZPJMESA-N 1 3 332.491 4.332 20 30 EIEDHO C#Cc1ccc(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000809606338 1048414064 /nfs/dbraw/zinc/41/40/64/1048414064.db2.gz ZEMGRYHDWWYLRH-LJQANCHMSA-N 1 3 332.491 4.332 20 30 EIEDHO C#Cc1ccc(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000809606338 1048414071 /nfs/dbraw/zinc/41/40/71/1048414071.db2.gz ZEMGRYHDWWYLRH-LJQANCHMSA-N 1 3 332.491 4.332 20 30 EIEDHO CC(C)[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1cccc(C#N)c1 ZINC001171623515 1049767933 /nfs/dbraw/zinc/76/79/33/1049767933.db2.gz AYEBWASKILITGB-LJQANCHMSA-N 1 3 327.516 4.496 20 30 EIEDHO CC1(C#N)CCC(N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001173591239 1050495626 /nfs/dbraw/zinc/49/56/26/1050495626.db2.gz NHFNSPXQYHJHKV-UHFFFAOYSA-N 1 3 331.891 4.062 20 30 EIEDHO COc1ccc([C@@H](C)[NH2+]CCCCC#N)cc1CN1CCCCC1 ZINC000182812740 1050840925 /nfs/dbraw/zinc/84/09/25/1050840925.db2.gz PEFIMDQHBNIOTG-QGZVFWFLSA-N 1 3 329.488 4.026 20 30 EIEDHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)CC1 ZINC001196942982 1053810758 /nfs/dbraw/zinc/81/07/58/1053810758.db2.gz JGNYAPRRDCJHHY-HXUWFJFHSA-N 1 3 331.548 4.437 20 30 EIEDHO CC1CCN(CC[C@H]2CCC[N@H+]2CCCCC2(C#N)CCC2)CC1 ZINC001196942982 1053810759 /nfs/dbraw/zinc/81/07/59/1053810759.db2.gz JGNYAPRRDCJHHY-HXUWFJFHSA-N 1 3 331.548 4.437 20 30 EIEDHO CC1CC[NH+](CC[C@H]2CCCN2CCCCC2(C#N)CCC2)CC1 ZINC001196942982 1053810760 /nfs/dbraw/zinc/81/07/60/1053810760.db2.gz JGNYAPRRDCJHHY-HXUWFJFHSA-N 1 3 331.548 4.437 20 30 EIEDHO C=CCCCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001209442123 1020352665 /nfs/dbraw/zinc/35/26/65/1020352665.db2.gz UEBQXVHTRRHWJQ-YADHBBJMSA-N 1 3 348.575 4.193 20 30 EIEDHO C=CCCCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001209442123 1020352672 /nfs/dbraw/zinc/35/26/72/1020352672.db2.gz UEBQXVHTRRHWJQ-YADHBBJMSA-N 1 3 348.575 4.193 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000247507044 1024782240 /nfs/dbraw/zinc/78/22/40/1024782240.db2.gz YDMMYTAQBZUBCI-QKYXUNIQSA-N 1 3 339.508 4.353 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000247507044 1024782261 /nfs/dbraw/zinc/78/22/61/1024782261.db2.gz YDMMYTAQBZUBCI-QKYXUNIQSA-N 1 3 339.508 4.353 20 30 EIEDHO CC[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220902 1026343488 /nfs/dbraw/zinc/34/34/88/1026343488.db2.gz LEEULMLEQGTQEH-GGAORHGYSA-N 1 3 347.506 4.164 20 30 EIEDHO CC[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220902 1026343506 /nfs/dbraw/zinc/34/35/06/1026343506.db2.gz LEEULMLEQGTQEH-GGAORHGYSA-N 1 3 347.506 4.164 20 30 EIEDHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220902 1026343521 /nfs/dbraw/zinc/34/35/21/1026343521.db2.gz LEEULMLEQGTQEH-GGAORHGYSA-N 1 3 347.506 4.164 20 30 EIEDHO COc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1CN1CCCCC1 ZINC000840786680 1029289058 /nfs/dbraw/zinc/28/90/58/1029289058.db2.gz TXPVTRWTIZVVLK-KRWDZBQOSA-N 1 3 343.515 4.272 20 30 EIEDHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165159 1030862744 /nfs/dbraw/zinc/86/27/44/1030862744.db2.gz PVRVPGYOCRXLFL-RTWAWAEBSA-N 1 3 327.516 4.018 20 30 EIEDHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323083 1035822920 /nfs/dbraw/zinc/82/29/20/1035822920.db2.gz RPSOHXWHKCXCFN-GMAHTHKFSA-N 1 3 345.490 4.141 20 30 EIEDHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323083 1035822926 /nfs/dbraw/zinc/82/29/26/1035822926.db2.gz RPSOHXWHKCXCFN-GMAHTHKFSA-N 1 3 345.490 4.141 20 30 EIEDHO CN1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323083 1035822933 /nfs/dbraw/zinc/82/29/33/1035822933.db2.gz RPSOHXWHKCXCFN-GMAHTHKFSA-N 1 3 345.490 4.141 20 30 EIEDHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323083 1035822936 /nfs/dbraw/zinc/82/29/36/1035822936.db2.gz RPSOHXWHKCXCFN-GMAHTHKFSA-N 1 3 345.490 4.141 20 30 EIEDHO C[C@@H](CCC#N)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000602537592 1036489213 /nfs/dbraw/zinc/48/92/13/1036489213.db2.gz GWPIHTDMIHTSLZ-INIZCTEOSA-N 1 3 333.907 4.081 20 30 EIEDHO C[C@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399548 1040197203 /nfs/dbraw/zinc/19/72/03/1040197203.db2.gz WIMNMJTWEILWNT-QPXQOZNCSA-N 1 3 347.506 4.365 20 30 EIEDHO C[C@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399548 1040197216 /nfs/dbraw/zinc/19/72/16/1040197216.db2.gz WIMNMJTWEILWNT-QPXQOZNCSA-N 1 3 347.506 4.365 20 30 EIEDHO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000551560307 1040411136 /nfs/dbraw/zinc/41/11/36/1040411136.db2.gz RMQXTCDVSJCXCW-GHTZIAJQSA-N 1 3 345.490 4.048 20 30 EIEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964533 1042590131 /nfs/dbraw/zinc/59/01/31/1042590131.db2.gz RZZPDWZHVUDLHS-MRXNPFEDSA-N 1 3 339.458 4.388 20 30 EIEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964533 1042590140 /nfs/dbraw/zinc/59/01/40/1042590140.db2.gz RZZPDWZHVUDLHS-MRXNPFEDSA-N 1 3 339.458 4.388 20 30 EIEDHO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000185817423 1043222121 /nfs/dbraw/zinc/22/21/21/1043222121.db2.gz JKBMJMSVMKLDFY-IEBWSBKVSA-N 1 3 345.918 4.224 20 30 EIEDHO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1CN1CCCCC1 ZINC000818356969 1049144642 /nfs/dbraw/zinc/14/46/42/1049144642.db2.gz TUQNLXUYKZHOPF-ABSDTBQOSA-N 1 3 341.499 4.024 20 30 EIEDHO C#CC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC001172068229 1049853506 /nfs/dbraw/zinc/85/35/06/1049853506.db2.gz JAWSSJTZQXILLN-KOUNCHBCSA-N 1 3 336.523 4.498 20 30 EIEDHO C#CC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001172068229 1049853509 /nfs/dbraw/zinc/85/35/09/1049853509.db2.gz JAWSSJTZQXILLN-KOUNCHBCSA-N 1 3 336.523 4.498 20 30 EIEDHO C=CCSCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775403628 1051244162 /nfs/dbraw/zinc/24/41/62/1051244162.db2.gz HQRBBYALIBBVBN-KRWDZBQOSA-N 1 3 348.556 4.251 20 30 EIEDHO C[C@]1(C#N)CCN(CCCCCCCCC[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852687132 1053602331 /nfs/dbraw/zinc/60/23/31/1053602331.db2.gz PWBBOMWIRBZYRQ-NHCUHLMSSA-N 1 3 344.547 4.188 20 30 EIEDHO C[C@]1(C#N)CCN(CCCCCCCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852687132 1053602336 /nfs/dbraw/zinc/60/23/36/1053602336.db2.gz PWBBOMWIRBZYRQ-NHCUHLMSSA-N 1 3 344.547 4.188 20 30 EIEDHO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000289492029 1024335391 /nfs/dbraw/zinc/33/53/91/1024335391.db2.gz GIEMPYUFYFDREP-FQEVSTJZSA-N 1 3 327.516 4.208 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000181810763 1024492830 /nfs/dbraw/zinc/49/28/30/1024492830.db2.gz KWAGRJQXPBTGID-CVAIRZPRSA-N 1 3 339.508 4.353 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000181810763 1024492853 /nfs/dbraw/zinc/49/28/53/1024492853.db2.gz KWAGRJQXPBTGID-CVAIRZPRSA-N 1 3 339.508 4.353 20 30 EIEDHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745623 1027222183 /nfs/dbraw/zinc/22/21/83/1027222183.db2.gz RRWSUBDIQYAGIS-VGOFRKELSA-N 1 3 333.479 4.360 20 30 EIEDHO C[C@@H](c1cccc(C#N)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000614494672 1035239035 /nfs/dbraw/zinc/23/90/35/1035239035.db2.gz AQCDDHZTHNDIPA-SFHVURJKSA-N 1 3 325.500 4.207 20 30 EIEDHO N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000589336977 1036739354 /nfs/dbraw/zinc/73/93/54/1036739354.db2.gz PIBPUFATLGATBO-OFNKIYASSA-N 1 3 345.490 4.047 20 30 EIEDHO N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000589336977 1036739361 /nfs/dbraw/zinc/73/93/61/1036739361.db2.gz PIBPUFATLGATBO-OFNKIYASSA-N 1 3 345.490 4.047 20 30 EIEDHO CC(C)(C#N)c1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000594493786 1038341980 /nfs/dbraw/zinc/34/19/80/1038341980.db2.gz RXXSEUJXZYAUNE-UHFFFAOYSA-N 1 3 347.506 4.373 20 30 EIEDHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594917040 1038426939 /nfs/dbraw/zinc/42/69/39/1038426939.db2.gz FYOWOPZKJQVYQX-UHFFFAOYSA-N 1 3 347.506 4.372 20 30 EIEDHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594917040 1038426950 /nfs/dbraw/zinc/42/69/50/1038426950.db2.gz FYOWOPZKJQVYQX-UHFFFAOYSA-N 1 3 347.506 4.372 20 30 EIEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000463285024 1041475948 /nfs/dbraw/zinc/47/59/48/1041475948.db2.gz SKKVPNVUPRWQKG-MOXWOTFGSA-N 1 3 339.527 4.336 20 30 EIEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000463285024 1041475951 /nfs/dbraw/zinc/47/59/51/1041475951.db2.gz SKKVPNVUPRWQKG-MOXWOTFGSA-N 1 3 339.527 4.336 20 30 EIEDHO C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000540593927 1041551000 /nfs/dbraw/zinc/55/10/00/1041551000.db2.gz WJYSGCPGBHGBNL-QRVBRYPASA-N 1 3 347.506 4.365 20 30 EIEDHO N#Cc1ccccc1-c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000537092774 1046938683 /nfs/dbraw/zinc/93/86/83/1046938683.db2.gz IVIIOXBNTIEJOH-UHFFFAOYSA-N 1 3 345.490 4.189 20 30 EIEDHO C[C@]1(CN[C@@H]2CCc3ccc(C#N)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000810238663 1048722320 /nfs/dbraw/zinc/72/23/20/1048722320.db2.gz RYTLXPPTPRJXNB-DHIUTWEWSA-N 1 3 345.490 4.047 20 30 EIEDHO C[C@]1(CN[C@@H]2CCc3ccc(C#N)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000810238663 1048722339 /nfs/dbraw/zinc/72/23/39/1048722339.db2.gz RYTLXPPTPRJXNB-DHIUTWEWSA-N 1 3 345.490 4.047 20 30 EIEDHO C#CC[C@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000775523526 1051701246 /nfs/dbraw/zinc/70/12/46/1051701246.db2.gz JQOAHLDIQRPWRA-PTUXOGIPSA-N 1 3 332.491 4.251 20 30 EIEDHO C[C@H]([NH2+]C[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444917 1022822952 /nfs/dbraw/zinc/82/29/52/1022822952.db2.gz YVRNDROJHKWWTN-XYJFISCASA-N 1 3 339.508 4.181 20 30 EIEDHO C#CCOc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000162912274 1025186714 /nfs/dbraw/zinc/18/67/14/1025186714.db2.gz IWPCOVNURGFSCO-LJQANCHMSA-N 1 3 348.490 4.145 20 30 EIEDHO C[C@@H]1CC(N2CCC[C@@H](C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063948 1029622425 /nfs/dbraw/zinc/62/24/25/1029622425.db2.gz OPYIDOYNYBYBID-GUDVDZBRSA-N 1 3 325.500 4.054 20 30 EIEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584439179 1029871341 /nfs/dbraw/zinc/87/13/41/1029871341.db2.gz JBGAUNLFMYEDGS-YSZBQJHXSA-N 1 3 345.490 4.073 20 30 EIEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584439179 1029871342 /nfs/dbraw/zinc/87/13/42/1029871342.db2.gz JBGAUNLFMYEDGS-YSZBQJHXSA-N 1 3 345.490 4.073 20 30 EIEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584439177 1029871461 /nfs/dbraw/zinc/87/14/61/1029871461.db2.gz JBGAUNLFMYEDGS-SXSPYAJSSA-N 1 3 345.490 4.073 20 30 EIEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584439177 1029871464 /nfs/dbraw/zinc/87/14/64/1029871464.db2.gz JBGAUNLFMYEDGS-SXSPYAJSSA-N 1 3 345.490 4.073 20 30 EIEDHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000399174105 1030747717 /nfs/dbraw/zinc/74/77/17/1030747717.db2.gz JHBWOLXCLNEDGO-QFIPXVFZSA-N 1 3 347.506 4.143 20 30 EIEDHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(CC#N)cc1 ZINC000399174105 1030747733 /nfs/dbraw/zinc/74/77/33/1030747733.db2.gz JHBWOLXCLNEDGO-QFIPXVFZSA-N 1 3 347.506 4.143 20 30 EIEDHO C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654745 1033629077 /nfs/dbraw/zinc/62/90/77/1033629077.db2.gz OJGVVDQZNJLLNR-IXDOHACOSA-N 1 3 331.479 4.106 20 30 EIEDHO C[C@@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654745 1033629082 /nfs/dbraw/zinc/62/90/82/1033629082.db2.gz OJGVVDQZNJLLNR-IXDOHACOSA-N 1 3 331.479 4.106 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000174158239 1044228888 /nfs/dbraw/zinc/22/88/88/1044228888.db2.gz YDMMYTAQBZUBCI-QSFXBCCZSA-N 1 3 339.508 4.353 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000174158239 1044228908 /nfs/dbraw/zinc/22/89/08/1044228908.db2.gz YDMMYTAQBZUBCI-QSFXBCCZSA-N 1 3 339.508 4.353 20 30 EIEDHO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001171961849 1049825456 /nfs/dbraw/zinc/82/54/56/1049825456.db2.gz BGERVDYTDHHJLG-NRFANRHFSA-N 1 3 333.479 4.091 20 30 EIEDHO N#CC[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075024 1049843941 /nfs/dbraw/zinc/84/39/41/1049843941.db2.gz NLPUCYDBKZPCRR-CZYKHXBRSA-N 1 3 337.511 4.198 20 30 EIEDHO N#CC[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075024 1049843944 /nfs/dbraw/zinc/84/39/44/1049843944.db2.gz NLPUCYDBKZPCRR-CZYKHXBRSA-N 1 3 337.511 4.198 20 30 EIEDHO C#CCCCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775414222 1051290277 /nfs/dbraw/zinc/29/02/77/1051290277.db2.gz FQSFSUIIJJSUMX-SFHVURJKSA-N 1 3 328.500 4.135 20 30 EIEDHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3cccc(C#N)c3)cc2)C1 ZINC000067668312 524233800 /nfs/dbraw/zinc/23/38/00/524233800.db2.gz NZJSPIPUYVLZHP-GOSISDBHSA-N 1 3 333.479 4.080 20 30 EIEDHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3cccc(C#N)c3)cc2)C1 ZINC000067668312 524233805 /nfs/dbraw/zinc/23/38/05/524233805.db2.gz NZJSPIPUYVLZHP-GOSISDBHSA-N 1 3 333.479 4.080 20 30 EIEDHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065496 1022856377 /nfs/dbraw/zinc/85/63/77/1022856377.db2.gz XZENSHBJDREWAS-NQIIRXRSSA-N 1 3 333.479 4.121 20 30 EIEDHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065496 1022856381 /nfs/dbraw/zinc/85/63/81/1022856381.db2.gz XZENSHBJDREWAS-NQIIRXRSSA-N 1 3 333.479 4.121 20 30 EIEDHO C=C(C)C[NH+]1CCC(NCc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000236689711 1023125528 /nfs/dbraw/zinc/12/55/28/1023125528.db2.gz GMTLPQVFKVMONP-UHFFFAOYSA-N 1 3 338.442 4.035 20 30 EIEDHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000562082606 1026766308 /nfs/dbraw/zinc/76/63/08/1026766308.db2.gz QIEFPVHLSVTHJD-FHZYATBESA-N 1 3 345.490 4.188 20 30 EIEDHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CC[N@H+]1Cc1ccccc1 ZINC000562082606 1026766319 /nfs/dbraw/zinc/76/63/19/1026766319.db2.gz QIEFPVHLSVTHJD-FHZYATBESA-N 1 3 345.490 4.188 20 30 EIEDHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1CN1CCCCC1 ZINC000840786685 1029290689 /nfs/dbraw/zinc/29/06/89/1029290689.db2.gz TXPVTRWTIZVVLK-QGZVFWFLSA-N 1 3 343.515 4.272 20 30 EIEDHO C=C(C)C[NH+]1CCC(NCc2cc(Cl)cc3cccnc32)CC1 ZINC000158090116 1029307754 /nfs/dbraw/zinc/30/77/54/1029307754.db2.gz AAYMWYFETKAARS-UHFFFAOYSA-N 1 3 329.875 4.018 20 30 EIEDHO CC[N@H+](CCC1CCN(Cc2cc(C#N)cs2)CC1)CC(C)C ZINC000573527044 1033388362 /nfs/dbraw/zinc/38/83/62/1033388362.db2.gz VGEDEXIMRFCTNF-UHFFFAOYSA-N 1 3 333.545 4.200 20 30 EIEDHO CC[N@@H+](CCC1CCN(Cc2cc(C#N)cs2)CC1)CC(C)C ZINC000573527044 1033388374 /nfs/dbraw/zinc/38/83/74/1033388374.db2.gz VGEDEXIMRFCTNF-UHFFFAOYSA-N 1 3 333.545 4.200 20 30 EIEDHO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000551560339 1040410380 /nfs/dbraw/zinc/41/03/80/1040410380.db2.gz RMQXTCDVSJCXCW-WIYYLYMNSA-N 1 3 345.490 4.048 20 30 EIEDHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271916385 1042519973 /nfs/dbraw/zinc/51/99/73/1042519973.db2.gz GNJRZBJSXROUIG-INIZCTEOSA-N 1 3 339.458 4.390 20 30 EIEDHO CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271957255 1042562087 /nfs/dbraw/zinc/56/20/87/1042562087.db2.gz SKGNGCFFSOKIIU-INIZCTEOSA-N 1 3 339.458 4.388 20 30 EIEDHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271957255 1042562088 /nfs/dbraw/zinc/56/20/88/1042562088.db2.gz SKGNGCFFSOKIIU-INIZCTEOSA-N 1 3 339.458 4.388 20 30 EIEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964531 1042592869 /nfs/dbraw/zinc/59/28/69/1042592869.db2.gz RZZPDWZHVUDLHS-INIZCTEOSA-N 1 3 339.458 4.388 20 30 EIEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964531 1042592874 /nfs/dbraw/zinc/59/28/74/1042592874.db2.gz RZZPDWZHVUDLHS-INIZCTEOSA-N 1 3 339.458 4.388 20 30 EIEDHO C#Cc1ccc(C[NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)cc1 ZINC001144569515 1048733036 /nfs/dbraw/zinc/73/30/36/1048733036.db2.gz SPNBTFOZXDGAPH-QFIPXVFZSA-N 1 3 348.490 4.138 20 30 EIEDHO C#Cc1ccc(C[NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)cc1 ZINC001144569513 1048734174 /nfs/dbraw/zinc/73/41/74/1048734174.db2.gz SPNBTFOZXDGAPH-JOCHJYFZSA-N 1 3 348.490 4.138 20 30 EIEDHO Cc1cc(C#N)cc(C)c1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000921508229 1052791237 /nfs/dbraw/zinc/79/12/37/1052791237.db2.gz BFZKYAWBSYECIT-UHFFFAOYSA-N 1 3 333.479 4.061 20 30 EIEDHO C=CC[NH+]1CCC(N[C@@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000179109953 1023204731 /nfs/dbraw/zinc/20/47/31/1023204731.db2.gz NEQVLMGZQXFFEU-GOSISDBHSA-N 1 3 334.891 4.102 20 30 EIEDHO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CN1CCCCC1 ZINC000507622145 1026850807 /nfs/dbraw/zinc/85/08/07/1026850807.db2.gz QYBJZXQMRHYCND-JSRJAPPDSA-N 1 3 339.527 4.102 20 30 EIEDHO C(#Cc1ccccc1)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472432 1035927928 /nfs/dbraw/zinc/92/79/28/1035927928.db2.gz CFMLXBYTMOWPKA-UHFFFAOYSA-N 1 3 344.502 4.026 20 30 EIEDHO C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363607 1037913458 /nfs/dbraw/zinc/91/34/58/1037913458.db2.gz FZNQCAOZNJBXHH-GCJKJVERSA-N 1 3 345.490 4.406 20 30 EIEDHO C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363607 1037913472 /nfs/dbraw/zinc/91/34/72/1037913472.db2.gz FZNQCAOZNJBXHH-GCJKJVERSA-N 1 3 345.490 4.406 20 30 EIEDHO CC(C)(C#N)c1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000594494263 1038342301 /nfs/dbraw/zinc/34/23/01/1038342301.db2.gz DSLDSLSGHDZKSK-UHFFFAOYSA-N 1 3 347.506 4.373 20 30 EIEDHO CC(C)(C#N)c1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000594493426 1038344268 /nfs/dbraw/zinc/34/42/68/1038344268.db2.gz NIAYBAACLYXAIK-UHFFFAOYSA-N 1 3 347.506 4.242 20 30 EIEDHO Cc1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000443992891 1042728590 /nfs/dbraw/zinc/72/85/90/1042728590.db2.gz HUGSPQDLUCFTTE-QUCCMNQESA-N 1 3 339.508 4.101 20 30 EIEDHO Cc1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000443992891 1042728601 /nfs/dbraw/zinc/72/86/01/1042728601.db2.gz HUGSPQDLUCFTTE-QUCCMNQESA-N 1 3 339.508 4.101 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033847 1043587319 /nfs/dbraw/zinc/58/73/19/1043587319.db2.gz QDSFUIFNVZUQRT-PNLZDCPESA-N 1 3 333.479 4.359 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033847 1043587331 /nfs/dbraw/zinc/58/73/31/1043587331.db2.gz QDSFUIFNVZUQRT-PNLZDCPESA-N 1 3 333.479 4.359 20 30 EIEDHO C=C(CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000675784508 1044495023 /nfs/dbraw/zinc/49/50/23/1044495023.db2.gz YKDVLNFPTRPQJQ-UHFFFAOYSA-N 1 3 338.470 4.136 20 30 EIEDHO C[C@H](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCCCC1 ZINC000543392944 1044496626 /nfs/dbraw/zinc/49/66/26/1044496626.db2.gz JZHHAEHAGCRMHA-JSRJAPPDSA-N 1 3 339.527 4.245 20 30 EIEDHO C#Cc1ccc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000809603615 1048439299 /nfs/dbraw/zinc/43/92/99/1048439299.db2.gz HURBIAQHIAOWDC-UHFFFAOYSA-N 1 3 332.491 4.190 20 30 EIEDHO N=C(Nc1cccc(C2=[NH+]CCC2)c1)c1ccc2cc(O)ccc2c1 ZINC001171186540 1048678250 /nfs/dbraw/zinc/67/82/50/1048678250.db2.gz TXCJYJJAXUVNTI-UHFFFAOYSA-N 1 3 329.403 4.165 20 30 EIEDHO C[C@H](Cc1cccc(C#N)c1)N(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001171231420 1048870678 /nfs/dbraw/zinc/87/06/78/1048870678.db2.gz JNURGGNTTGKDTO-GOSISDBHSA-N 1 3 339.527 4.218 20 30 EIEDHO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001171231420 1048870684 /nfs/dbraw/zinc/87/06/84/1048870684.db2.gz JNURGGNTTGKDTO-GOSISDBHSA-N 1 3 339.527 4.218 20 30 EIEDHO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001171231420 1048870691 /nfs/dbraw/zinc/87/06/91/1048870691.db2.gz JNURGGNTTGKDTO-GOSISDBHSA-N 1 3 339.527 4.218 20 30 EIEDHO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN([C@@H](C)CCCC#N)C[C@@H]21 ZINC001172500231 1049923458 /nfs/dbraw/zinc/92/34/58/1049923458.db2.gz XVZOZRHHKFTYDG-FIRPJDEBSA-N 1 3 325.500 4.179 20 30 EIEDHO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN([C@@H](C)CCCC#N)C[C@@H]21 ZINC001172500231 1049923462 /nfs/dbraw/zinc/92/34/62/1049923462.db2.gz XVZOZRHHKFTYDG-FIRPJDEBSA-N 1 3 325.500 4.179 20 30 EIEDHO C[C@H](CCCC#N)N1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172510296 1049925531 /nfs/dbraw/zinc/92/55/31/1049925531.db2.gz ZHAJWRGSLQICLW-MRXNPFEDSA-N 1 3 333.907 4.319 20 30 EIEDHO C[C@H](CCCC#N)N1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172510296 1049925537 /nfs/dbraw/zinc/92/55/37/1049925537.db2.gz ZHAJWRGSLQICLW-MRXNPFEDSA-N 1 3 333.907 4.319 20 30 EIEDHO N#CCC1CCC([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001173334648 1050425843 /nfs/dbraw/zinc/42/58/43/1050425843.db2.gz VNEOELNEKQLJDP-UHFFFAOYSA-N 1 3 343.490 4.100 20 30 EIEDHO C[N@H+](Cc1ccccc1)C1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173596316 1050496761 /nfs/dbraw/zinc/49/67/61/1050496761.db2.gz RRESXTGHZAWNGK-UHFFFAOYSA-N 1 3 325.500 4.055 20 30 EIEDHO C[N@@H+](Cc1ccccc1)C1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173596316 1050496764 /nfs/dbraw/zinc/49/67/64/1050496764.db2.gz RRESXTGHZAWNGK-UHFFFAOYSA-N 1 3 325.500 4.055 20 30 EIEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619465923 1050790097 /nfs/dbraw/zinc/79/00/97/1050790097.db2.gz HYVYPFDOSLLCMZ-REWPJTCUSA-N 1 3 345.490 4.047 20 30 EIEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619465923 1050790114 /nfs/dbraw/zinc/79/01/14/1050790114.db2.gz HYVYPFDOSLLCMZ-REWPJTCUSA-N 1 3 345.490 4.047 20 30 EIEDHO C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000553399549 1055438381 /nfs/dbraw/zinc/43/83/81/1055438381.db2.gz WIMNMJTWEILWNT-QRVBRYPASA-N 1 3 347.506 4.365 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065497 1022857843 /nfs/dbraw/zinc/85/78/43/1022857843.db2.gz XZENSHBJDREWAS-RXVVDRJESA-N 1 3 333.479 4.121 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065497 1022857846 /nfs/dbraw/zinc/85/78/46/1022857846.db2.gz XZENSHBJDREWAS-RXVVDRJESA-N 1 3 333.479 4.121 20 30 EIEDHO CC(C)(C#N)CCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291275 1026654282 /nfs/dbraw/zinc/65/42/82/1026654282.db2.gz GZYUEKCMGYPWJX-JOCHJYFZSA-N 1 3 339.527 4.304 20 30 EIEDHO CC(C)(C#N)CCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291275 1026654287 /nfs/dbraw/zinc/65/42/87/1026654287.db2.gz GZYUEKCMGYPWJX-JOCHJYFZSA-N 1 3 339.527 4.304 20 30 EIEDHO C[C@@H]1CC(N2CCC[C@@H](CC#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058785 1029371848 /nfs/dbraw/zinc/37/18/48/1029371848.db2.gz CFNZOZZOPUYCDT-GGPKGHCWSA-N 1 3 325.500 4.054 20 30 EIEDHO N#CC1(c2ccc(CNCc3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000594921874 1038428475 /nfs/dbraw/zinc/42/84/75/1038428475.db2.gz UZFZKLNZRLWBFC-UHFFFAOYSA-N 1 3 345.490 4.127 20 30 EIEDHO C=CCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550818668 1039374141 /nfs/dbraw/zinc/37/41/41/1039374141.db2.gz PNTUEPLNCYNSKY-RBBKRZOGSA-N 1 3 336.479 4.177 20 30 EIEDHO C=CCOc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550818668 1039374159 /nfs/dbraw/zinc/37/41/59/1039374159.db2.gz PNTUEPLNCYNSKY-RBBKRZOGSA-N 1 3 336.479 4.177 20 30 EIEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000463285022 1041475505 /nfs/dbraw/zinc/47/55/05/1041475505.db2.gz SKKVPNVUPRWQKG-LMVRJCEZSA-N 1 3 339.527 4.336 20 30 EIEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000463285022 1041475510 /nfs/dbraw/zinc/47/55/10/1041475510.db2.gz SKKVPNVUPRWQKG-LMVRJCEZSA-N 1 3 339.527 4.336 20 30 EIEDHO C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271913116 1042518080 /nfs/dbraw/zinc/51/80/80/1042518080.db2.gz FMVSRZVHMAYDAE-INIZCTEOSA-N 1 3 337.442 4.144 20 30 EIEDHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033846 1043585864 /nfs/dbraw/zinc/58/58/64/1043585864.db2.gz QDSFUIFNVZUQRT-JLHGSKIFSA-N 1 3 333.479 4.359 20 30 EIEDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033846 1043585888 /nfs/dbraw/zinc/58/58/88/1043585888.db2.gz QDSFUIFNVZUQRT-JLHGSKIFSA-N 1 3 333.479 4.359 20 30 EIEDHO C[C@H](c1ccc(C#N)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609822824 1049343828 /nfs/dbraw/zinc/34/38/28/1049343828.db2.gz GEVXADKDYQDBBI-GOSISDBHSA-N 1 3 325.500 4.207 20 30 EIEDHO CC(C)(CCC#N)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246437892 1049973254 /nfs/dbraw/zinc/97/32/54/1049973254.db2.gz NFECZAHYKNSFAD-SFTDATJTSA-N 1 3 339.527 4.303 20 30 EIEDHO CC(C)(CCC#N)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246437892 1049973258 /nfs/dbraw/zinc/97/32/58/1049973258.db2.gz NFECZAHYKNSFAD-SFTDATJTSA-N 1 3 339.527 4.303 20 30 EIEDHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618805549 1050534101 /nfs/dbraw/zinc/53/41/01/1050534101.db2.gz HMUKLJUUKORBQZ-FHZYATBESA-N 1 3 345.490 4.188 20 30 EIEDHO C[C@@H]1C[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000618805549 1050534115 /nfs/dbraw/zinc/53/41/15/1050534115.db2.gz HMUKLJUUKORBQZ-FHZYATBESA-N 1 3 345.490 4.188 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000153047377 1050943403 /nfs/dbraw/zinc/94/34/03/1050943403.db2.gz XJOYTHBYOGVFTF-KRWDZBQOSA-N 1 3 346.515 4.175 20 30 EIEDHO C#CC[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000775523525 1051700838 /nfs/dbraw/zinc/70/08/38/1051700838.db2.gz JQOAHLDIQRPWRA-PMOQBDJRSA-N 1 3 332.491 4.251 20 30 EIEDHO C#CC[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000775523527 1051702105 /nfs/dbraw/zinc/70/21/05/1051702105.db2.gz JQOAHLDIQRPWRA-VJBMBRPKSA-N 1 3 332.491 4.251 20 30 EIEDHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)CC1 ZINC001196942974 1053809991 /nfs/dbraw/zinc/80/99/91/1053809991.db2.gz JGNYAPRRDCJHHY-FQEVSTJZSA-N 1 3 331.548 4.437 20 30 EIEDHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCCCC2(C#N)CCC2)CC1 ZINC001196942974 1053809992 /nfs/dbraw/zinc/80/99/92/1053809992.db2.gz JGNYAPRRDCJHHY-FQEVSTJZSA-N 1 3 331.548 4.437 20 30 EIEDHO CC1CC[NH+](CC[C@@H]2CCCN2CCCCC2(C#N)CCC2)CC1 ZINC001196942974 1053809996 /nfs/dbraw/zinc/80/99/96/1053809996.db2.gz JGNYAPRRDCJHHY-FQEVSTJZSA-N 1 3 331.548 4.437 20 30 EIEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000532165927 1032070905 /nfs/dbraw/zinc/07/09/05/1032070905.db2.gz OTEXVLWWJGKIHK-SFHVURJKSA-N 1 3 325.500 4.035 20 30 EIEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000532165927 1032070913 /nfs/dbraw/zinc/07/09/13/1032070913.db2.gz OTEXVLWWJGKIHK-SFHVURJKSA-N 1 3 325.500 4.035 20 30 EIEDHO CC1CC[NH+](Cc2ccc(CNCc3ccc(C#N)cc3)cc2)CC1 ZINC000048709500 1021240106 /nfs/dbraw/zinc/24/01/06/1021240106.db2.gz RQRAMMNNDKCUPP-UHFFFAOYSA-N 1 3 333.479 4.080 20 30 EIEDHO C[C@@H]1C[C@@H](N2CCC[C@H](C#N)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063949 1029622019 /nfs/dbraw/zinc/62/20/19/1029622019.db2.gz OPYIDOYNYBYBID-JTJHWIPRSA-N 1 3 325.500 4.054 20 30 EIEDHO C[C@@H]1C[C@@H](N2CCC[C@H](C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063949 1029622027 /nfs/dbraw/zinc/62/20/27/1029622027.db2.gz OPYIDOYNYBYBID-JTJHWIPRSA-N 1 3 325.500 4.054 20 30 EIEDHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336600 1036738561 /nfs/dbraw/zinc/73/85/61/1036738561.db2.gz XIKOMOJQLMFNFC-JOCHJYFZSA-N 1 3 333.479 4.177 20 30 EIEDHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363605 1037912482 /nfs/dbraw/zinc/91/24/82/1037912482.db2.gz FZNQCAOZNJBXHH-AVRDEDQJSA-N 1 3 345.490 4.406 20 30 EIEDHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363605 1037912510 /nfs/dbraw/zinc/91/25/10/1037912510.db2.gz FZNQCAOZNJBXHH-AVRDEDQJSA-N 1 3 345.490 4.406 20 30 EIEDHO C=C(Cl)COc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000817968755 1049072992 /nfs/dbraw/zinc/07/29/92/1049072992.db2.gz LUWBFKCCIOCAET-HNNXBMFYSA-N 1 3 342.870 4.272 20 30 EIEDHO C[C@@H](CCCC#N)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001172488451 1049921045 /nfs/dbraw/zinc/92/10/45/1049921045.db2.gz SYMZGSQTBFYPDS-INIZCTEOSA-N 1 3 333.907 4.224 20 30 EIEDHO N#CCC1CCC([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CC1 ZINC001173337810 1050428521 /nfs/dbraw/zinc/42/85/21/1050428521.db2.gz SWZCJTTXGPYDLX-UHFFFAOYSA-N 1 3 337.511 4.057 20 30 EIEDHO C=CCOC1CCC(N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001173318631 1050441519 /nfs/dbraw/zinc/44/15/19/1050441519.db2.gz GRRNCEJOBDWGSW-UHFFFAOYSA-N 1 3 348.918 4.104 20 30 EIEDHO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619465921 1050789769 /nfs/dbraw/zinc/78/97/69/1050789769.db2.gz HYVYPFDOSLLCMZ-NZQKXSOJSA-N 1 3 345.490 4.047 20 30 EIEDHO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619465921 1050789783 /nfs/dbraw/zinc/78/97/83/1050789783.db2.gz HYVYPFDOSLLCMZ-NZQKXSOJSA-N 1 3 345.490 4.047 20 30 EIEDHO COc1ccc([C@H](C)[NH2+]CCCCC#N)cc1CN1CCCCC1 ZINC000182812724 1050840711 /nfs/dbraw/zinc/84/07/11/1050840711.db2.gz PEFIMDQHBNIOTG-KRWDZBQOSA-N 1 3 329.488 4.026 20 30 EIEDHO CCCCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001201815145 1054915066 /nfs/dbraw/zinc/91/50/66/1054915066.db2.gz XMFUWCUJVKOSHF-RTWAWAEBSA-N 1 3 336.564 4.027 20 30 EIEDHO CCCCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001201815145 1054915079 /nfs/dbraw/zinc/91/50/79/1054915079.db2.gz XMFUWCUJVKOSHF-RTWAWAEBSA-N 1 3 336.564 4.027 20 30 EIEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000178258100 1023876130 /nfs/dbraw/zinc/87/61/30/1023876130.db2.gz MKTCNNCTRUMBGX-INIZCTEOSA-N 1 3 348.918 4.343 20 30 EIEDHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000582957001 1027767674 /nfs/dbraw/zinc/76/76/74/1027767674.db2.gz KZMJJVFKTHRJIJ-QFIPXVFZSA-N 1 3 333.479 4.177 20 30 EIEDHO C[C@@H]1CC(N2CCC[C@H](C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063950 1029621770 /nfs/dbraw/zinc/62/17/70/1029621770.db2.gz OPYIDOYNYBYBID-QRVBRYPASA-N 1 3 325.500 4.054 20 30 EIEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584439176 1029871144 /nfs/dbraw/zinc/87/11/44/1029871144.db2.gz JBGAUNLFMYEDGS-LEOXJPRUSA-N 1 3 345.490 4.073 20 30 EIEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584439176 1029871145 /nfs/dbraw/zinc/87/11/45/1029871145.db2.gz JBGAUNLFMYEDGS-LEOXJPRUSA-N 1 3 345.490 4.073 20 30 EIEDHO N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC000530865502 1030768462 /nfs/dbraw/zinc/76/84/62/1030768462.db2.gz ZAGZNOALWWBMCB-HSZRJFAPSA-N 1 3 345.490 4.046 20 30 EIEDHO N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC000530865502 1030768481 /nfs/dbraw/zinc/76/84/81/1030768481.db2.gz ZAGZNOALWWBMCB-HSZRJFAPSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516690451 1041709892 /nfs/dbraw/zinc/70/98/92/1041709892.db2.gz PJPJWWRSQMRYHQ-HYVJGQCMSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516690451 1041709899 /nfs/dbraw/zinc/70/98/99/1041709899.db2.gz PJPJWWRSQMRYHQ-HYVJGQCMSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@@H]1CC([NH2+]Cc2cccc(C#N)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001168006955 1043010734 /nfs/dbraw/zinc/01/07/34/1043010734.db2.gz PSTVPPMDGOVSCM-QZTJIDSGSA-N 1 3 333.479 4.089 20 30 EIEDHO CCCCCCC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000766121763 1044259255 /nfs/dbraw/zinc/25/92/55/1044259255.db2.gz HMPCQOUUTLAFFO-HXUWFJFHSA-N 1 3 332.532 4.135 20 30 EIEDHO C[C@H](N[C@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618801692 1050519814 /nfs/dbraw/zinc/51/98/14/1050519814.db2.gz BRJLGPRUFGRRIB-LXBDKUERSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@H](N[C@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618801692 1050519821 /nfs/dbraw/zinc/51/98/21/1050519821.db2.gz BRJLGPRUFGRRIB-LXBDKUERSA-N 1 3 345.490 4.046 20 30 EIEDHO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237907 1026390304 /nfs/dbraw/zinc/39/03/04/1026390304.db2.gz FJEQXORTBCZGMF-QHCPKHFHSA-N 1 3 345.490 4.143 20 30 EIEDHO C[N@H+]1CCC[C@]2(CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237907 1026390319 /nfs/dbraw/zinc/39/03/19/1026390319.db2.gz FJEQXORTBCZGMF-QHCPKHFHSA-N 1 3 345.490 4.143 20 30 EIEDHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745622 1027223680 /nfs/dbraw/zinc/22/36/80/1027223680.db2.gz RRWSUBDIQYAGIS-JTSKRJEESA-N 1 3 333.479 4.360 20 30 EIEDHO C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512654746 1033628095 /nfs/dbraw/zinc/62/80/95/1033628095.db2.gz OJGVVDQZNJLLNR-ZACQAIPSSA-N 1 3 331.479 4.106 20 30 EIEDHO CC(C)(CCC#N)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000595001582 1035526436 /nfs/dbraw/zinc/52/64/36/1035526436.db2.gz XHYXCHADZALLDE-HXUWFJFHSA-N 1 3 339.527 4.208 20 30 EIEDHO CC[N@H+](C)Cc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594501329 1038349165 /nfs/dbraw/zinc/34/91/65/1038349165.db2.gz ZEGBBCGTYMVFFC-UHFFFAOYSA-N 1 3 335.495 4.229 20 30 EIEDHO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594501329 1038349173 /nfs/dbraw/zinc/34/91/73/1038349173.db2.gz ZEGBBCGTYMVFFC-UHFFFAOYSA-N 1 3 335.495 4.229 20 30 EIEDHO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000481665875 1039715427 /nfs/dbraw/zinc/71/54/27/1039715427.db2.gz DRTGNZKONJOYTR-JOCHJYFZSA-N 1 3 337.511 4.322 20 30 EIEDHO C[C@@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593922 1041550681 /nfs/dbraw/zinc/55/06/81/1041550681.db2.gz WJYSGCPGBHGBNL-KCESLBEFSA-N 1 3 347.506 4.365 20 30 EIEDHO C[C@@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593922 1041550695 /nfs/dbraw/zinc/55/06/95/1041550695.db2.gz WJYSGCPGBHGBNL-KCESLBEFSA-N 1 3 347.506 4.365 20 30 EIEDHO Cc1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)ccc1C#N ZINC000443960261 1042697166 /nfs/dbraw/zinc/69/71/66/1042697166.db2.gz GDTQYTDZMJATFR-UHFFFAOYSA-N 1 3 333.479 4.142 20 30 EIEDHO Cc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000443992890 1042724142 /nfs/dbraw/zinc/72/41/42/1042724142.db2.gz HUGSPQDLUCFTTE-ICSRJNTNSA-N 1 3 339.508 4.101 20 30 EIEDHO Cc1cc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000443992890 1042724151 /nfs/dbraw/zinc/72/41/51/1042724151.db2.gz HUGSPQDLUCFTTE-ICSRJNTNSA-N 1 3 339.508 4.101 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000245881460 1044196882 /nfs/dbraw/zinc/19/68/82/1044196882.db2.gz KWAGRJQXPBTGID-QKYXUNIQSA-N 1 3 339.508 4.353 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000245881460 1044196893 /nfs/dbraw/zinc/19/68/93/1044196893.db2.gz KWAGRJQXPBTGID-QKYXUNIQSA-N 1 3 339.508 4.353 20 30 EIEDHO C[C@]1(CN[C@H]2CCc3ccc(C#N)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000810238666 1048721762 /nfs/dbraw/zinc/72/17/62/1048721762.db2.gz RYTLXPPTPRJXNB-XZOQPEGZSA-N 1 3 345.490 4.047 20 30 EIEDHO C[C@]1(CN[C@H]2CCc3ccc(C#N)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000810238666 1048721780 /nfs/dbraw/zinc/72/17/80/1048721780.db2.gz RYTLXPPTPRJXNB-XZOQPEGZSA-N 1 3 345.490 4.047 20 30 EIEDHO C[C@@]1(CN[C@H]2CCc3ccc(C#N)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000810238664 1048722837 /nfs/dbraw/zinc/72/28/37/1048722837.db2.gz RYTLXPPTPRJXNB-GOTSBHOMSA-N 1 3 345.490 4.047 20 30 EIEDHO C[C@@]1(CN[C@H]2CCc3ccc(C#N)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000810238664 1048722849 /nfs/dbraw/zinc/72/28/49/1048722849.db2.gz RYTLXPPTPRJXNB-GOTSBHOMSA-N 1 3 345.490 4.047 20 30 EIEDHO Cc1cc(C#N)ccc1CN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000615798788 1049781138 /nfs/dbraw/zinc/78/11/38/1049781138.db2.gz YEVPXCCYEKNCIB-MOJGAOKDSA-N 1 3 347.506 4.113 20 30 EIEDHO Cc1cc(C#N)ccc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000615798788 1049781145 /nfs/dbraw/zinc/78/11/45/1049781145.db2.gz YEVPXCCYEKNCIB-MOJGAOKDSA-N 1 3 347.506 4.113 20 30 EIEDHO C[C@@H](CCCC#N)N1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172510295 1049925304 /nfs/dbraw/zinc/92/53/04/1049925304.db2.gz ZHAJWRGSLQICLW-INIZCTEOSA-N 1 3 333.907 4.319 20 30 EIEDHO C[C@@H](CCCC#N)N1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001172510295 1049925307 /nfs/dbraw/zinc/92/53/07/1049925307.db2.gz ZHAJWRGSLQICLW-INIZCTEOSA-N 1 3 333.907 4.319 20 30 EIEDHO C=CCOC1CCC(N2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC001173327633 1050419807 /nfs/dbraw/zinc/41/98/07/1050419807.db2.gz QEQKCPUGYRJBAD-UHFFFAOYSA-N 1 3 342.527 4.097 20 30 EIEDHO C=CCOC1CCC(N2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001173327633 1050419815 /nfs/dbraw/zinc/41/98/15/1050419815.db2.gz QEQKCPUGYRJBAD-UHFFFAOYSA-N 1 3 342.527 4.097 20 30 EIEDHO CC1(C#N)CCC(N2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001173591381 1050495504 /nfs/dbraw/zinc/49/55/04/1050495504.db2.gz HAHJQLWDYDQRNI-UHFFFAOYSA-N 1 3 331.891 4.062 20 30 EIEDHO C[C@H](N[C@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618801690 1050520214 /nfs/dbraw/zinc/52/02/14/1050520214.db2.gz BRJLGPRUFGRRIB-HYVJGQCMSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@H](N[C@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618801690 1050520223 /nfs/dbraw/zinc/52/02/23/1050520223.db2.gz BRJLGPRUFGRRIB-HYVJGQCMSA-N 1 3 345.490 4.046 20 30 EIEDHO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619465920 1050790669 /nfs/dbraw/zinc/79/06/69/1050790669.db2.gz HYVYPFDOSLLCMZ-NFBKMPQASA-N 1 3 345.490 4.047 20 30 EIEDHO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619465920 1050790675 /nfs/dbraw/zinc/79/06/75/1050790675.db2.gz HYVYPFDOSLLCMZ-NFBKMPQASA-N 1 3 345.490 4.047 20 30 EIEDHO N#CCc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024371 1027859633 /nfs/dbraw/zinc/85/96/33/1027859633.db2.gz YNMJYMYCSKUQJC-QFIPXVFZSA-N 1 3 345.490 4.039 20 30 EIEDHO N#CCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024371 1027859634 /nfs/dbraw/zinc/85/96/34/1027859634.db2.gz YNMJYMYCSKUQJC-QFIPXVFZSA-N 1 3 345.490 4.039 20 30 EIEDHO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165156 1030862230 /nfs/dbraw/zinc/86/22/30/1030862230.db2.gz PVRVPGYOCRXLFL-NHCUHLMSSA-N 1 3 327.516 4.018 20 30 EIEDHO CC1(C#N)CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000449332160 1031628313 /nfs/dbraw/zinc/62/83/13/1031628313.db2.gz BXVGWEDTUWBAKS-HWELCPFYSA-N 1 3 339.527 4.351 20 30 EIEDHO C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654743 1033631057 /nfs/dbraw/zinc/63/10/57/1033631057.db2.gz OJGVVDQZNJLLNR-BBWFWOEESA-N 1 3 331.479 4.106 20 30 EIEDHO C[C@H](NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654743 1033631067 /nfs/dbraw/zinc/63/10/67/1033631067.db2.gz OJGVVDQZNJLLNR-BBWFWOEESA-N 1 3 331.479 4.106 20 30 EIEDHO C[C@H](CCC#N)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000602537593 1036490184 /nfs/dbraw/zinc/49/01/84/1036490184.db2.gz GWPIHTDMIHTSLZ-MRXNPFEDSA-N 1 3 333.907 4.081 20 30 EIEDHO N#Cc1ccc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063776016 1038824842 /nfs/dbraw/zinc/82/48/42/1038824842.db2.gz YNPVZMKCSDQDRJ-UHFFFAOYSA-N 1 3 333.479 4.224 20 30 EIEDHO C=CCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550818669 1039373014 /nfs/dbraw/zinc/37/30/14/1039373014.db2.gz PNTUEPLNCYNSKY-UNMCSNQZSA-N 1 3 336.479 4.177 20 30 EIEDHO C=CCOc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550818669 1039373032 /nfs/dbraw/zinc/37/30/32/1039373032.db2.gz PNTUEPLNCYNSKY-UNMCSNQZSA-N 1 3 336.479 4.177 20 30 EIEDHO C[C@@]1(CN[C@@H]2CCc3ccc(C#N)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000810238665 1048720912 /nfs/dbraw/zinc/72/09/12/1048720912.db2.gz RYTLXPPTPRJXNB-PKTZIBPZSA-N 1 3 345.490 4.047 20 30 EIEDHO C[C@@]1(CN[C@@H]2CCc3ccc(C#N)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000810238665 1048720928 /nfs/dbraw/zinc/72/09/28/1048720928.db2.gz RYTLXPPTPRJXNB-PKTZIBPZSA-N 1 3 345.490 4.047 20 30 EIEDHO C#Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N(C)C(C)C)[C@H]3C2)cc1 ZINC001144574003 1048733513 /nfs/dbraw/zinc/73/35/13/1048733513.db2.gz XPISAAORTFJELY-HJOGWXRNSA-N 1 3 344.502 4.278 20 30 EIEDHO C#Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N(C)C(C)C)[C@H]3C2)cc1 ZINC001144574003 1048733534 /nfs/dbraw/zinc/73/35/34/1048733534.db2.gz XPISAAORTFJELY-HJOGWXRNSA-N 1 3 344.502 4.278 20 30 EIEDHO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(N(C)Cc2ccccc2)CC1 ZINC001171220995 1048856675 /nfs/dbraw/zinc/85/66/75/1048856675.db2.gz GVXLUXWXRUFLFI-IBGZPJMESA-N 1 3 347.506 4.086 20 30 EIEDHO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000429533581 1054081001 /nfs/dbraw/zinc/08/10/01/1054081001.db2.gz GVIJTBWUPGTXRO-OAQYLSRUSA-N 1 3 333.479 4.141 20 30 EIEDHO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000429533581 1054081018 /nfs/dbraw/zinc/08/10/18/1054081018.db2.gz GVIJTBWUPGTXRO-OAQYLSRUSA-N 1 3 333.479 4.141 20 30 EIEDHO C[C@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593924 1026419712 /nfs/dbraw/zinc/41/97/12/1026419712.db2.gz WJYSGCPGBHGBNL-QPXQOZNCSA-N 1 3 347.506 4.365 20 30 EIEDHO C[C@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593924 1026419723 /nfs/dbraw/zinc/41/97/23/1026419723.db2.gz WJYSGCPGBHGBNL-QPXQOZNCSA-N 1 3 347.506 4.365 20 30 EIEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000531654918 1031448580 /nfs/dbraw/zinc/44/85/80/1031448580.db2.gz VGOBXVVUNJXTQM-GOSISDBHSA-N 1 3 325.500 4.035 20 30 EIEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000531654918 1031448590 /nfs/dbraw/zinc/44/85/90/1031448590.db2.gz VGOBXVVUNJXTQM-GOSISDBHSA-N 1 3 325.500 4.035 20 30 EIEDHO C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363609 1037913790 /nfs/dbraw/zinc/91/37/90/1037913790.db2.gz FZNQCAOZNJBXHH-XMSQKQJNSA-N 1 3 345.490 4.406 20 30 EIEDHO C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363609 1037913799 /nfs/dbraw/zinc/91/37/99/1037913799.db2.gz FZNQCAOZNJBXHH-XMSQKQJNSA-N 1 3 345.490 4.406 20 30 EIEDHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594917915 1038426763 /nfs/dbraw/zinc/42/67/63/1038426763.db2.gz LOIQYRDIPPCVIS-UHFFFAOYSA-N 1 3 347.506 4.373 20 30 EIEDHO C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516690452 1041709511 /nfs/dbraw/zinc/70/95/11/1041709511.db2.gz PJPJWWRSQMRYHQ-JWNTYJGQSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516690452 1041709519 /nfs/dbraw/zinc/70/95/19/1041709519.db2.gz PJPJWWRSQMRYHQ-JWNTYJGQSA-N 1 3 345.490 4.046 20 30 EIEDHO CN1C(C)(C)CC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1(C)C ZINC001171637905 1049778588 /nfs/dbraw/zinc/77/85/88/1049778588.db2.gz RYKIUDWLZQNRSB-UHFFFAOYSA-N 1 3 339.527 4.389 20 30 EIEDHO CC(C)(CCC#N)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000092043831 1050311028 /nfs/dbraw/zinc/31/10/28/1050311028.db2.gz NFECZAHYKNSFAD-NHCUHLMSSA-N 1 3 339.527 4.303 20 30 EIEDHO CC(C)(CCC#N)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000092043831 1050311039 /nfs/dbraw/zinc/31/10/39/1050311039.db2.gz NFECZAHYKNSFAD-NHCUHLMSSA-N 1 3 339.527 4.303 20 30 EIEDHO C=C[C@@H]1CCCC[N@@H+]1CCCN1CCC(Cc2ccccc2)CC1 ZINC001193943417 1052044678 /nfs/dbraw/zinc/04/46/78/1052044678.db2.gz WUBTVIJGNLNYIK-JOCHJYFZSA-N 1 3 326.528 4.372 20 30 EIEDHO C=C[C@@H]1CCCC[N@H+]1CCCN1CCC(Cc2ccccc2)CC1 ZINC001193943417 1052044694 /nfs/dbraw/zinc/04/46/94/1052044694.db2.gz WUBTVIJGNLNYIK-JOCHJYFZSA-N 1 3 326.528 4.372 20 30 EIEDHO C#CCOc1ccc([C@@H](C)NCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000123925084 1054365123 /nfs/dbraw/zinc/36/51/23/1054365123.db2.gz SLMNCDZAJLITES-GOSISDBHSA-N 1 3 336.479 4.001 20 30 EIEDHO C#CCOc1ccc([C@@H](C)NCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000123925084 1054365138 /nfs/dbraw/zinc/36/51/38/1054365138.db2.gz SLMNCDZAJLITES-GOSISDBHSA-N 1 3 336.479 4.001 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962498 1022745584 /nfs/dbraw/zinc/74/55/84/1022745584.db2.gz BTYILOLPIVWLBN-RXVVDRJESA-N 1 3 333.479 4.121 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962498 1022745593 /nfs/dbraw/zinc/74/55/93/1022745593.db2.gz BTYILOLPIVWLBN-RXVVDRJESA-N 1 3 333.479 4.121 20 30 EIEDHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779948 1023311149 /nfs/dbraw/zinc/31/11/49/1023311149.db2.gz XYEGPCOCRAPGQP-AVRDEDQJSA-N 1 3 345.490 4.406 20 30 EIEDHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779948 1023311152 /nfs/dbraw/zinc/31/11/52/1023311152.db2.gz XYEGPCOCRAPGQP-AVRDEDQJSA-N 1 3 345.490 4.406 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000398147902 1034550575 /nfs/dbraw/zinc/55/05/75/1034550575.db2.gz OOXSMCYNSVHMQF-KGVIQGDOSA-N 1 3 333.479 4.119 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000398147902 1034550604 /nfs/dbraw/zinc/55/06/04/1034550604.db2.gz OOXSMCYNSVHMQF-KGVIQGDOSA-N 1 3 333.479 4.119 20 30 EIEDHO N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000589336981 1036737851 /nfs/dbraw/zinc/73/78/51/1036737851.db2.gz PIBPUFATLGATBO-REWPJTCUSA-N 1 3 345.490 4.047 20 30 EIEDHO N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000589336981 1036737872 /nfs/dbraw/zinc/73/78/72/1036737872.db2.gz PIBPUFATLGATBO-REWPJTCUSA-N 1 3 345.490 4.047 20 30 EIEDHO C=CCOc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1Cl ZINC000414816022 1039100014 /nfs/dbraw/zinc/10/00/14/1039100014.db2.gz YWZNYSFOZJEFDB-AWEZNQCLSA-N 1 3 330.859 4.214 20 30 EIEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000463285028 1041475520 /nfs/dbraw/zinc/47/55/20/1041475520.db2.gz SKKVPNVUPRWQKG-WEMPKCCASA-N 1 3 339.527 4.336 20 30 EIEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000463285028 1041475524 /nfs/dbraw/zinc/47/55/24/1041475524.db2.gz SKKVPNVUPRWQKG-WEMPKCCASA-N 1 3 339.527 4.336 20 30 EIEDHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271984502 1042607876 /nfs/dbraw/zinc/60/78/76/1042607876.db2.gz ZUFJFZFJFDZYBG-INIZCTEOSA-N 1 3 339.458 4.390 20 30 EIEDHO N#Cc1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536708879 1046721896 /nfs/dbraw/zinc/72/18/96/1046721896.db2.gz ZMLIPLRKBGTSKT-UHFFFAOYSA-N 1 3 345.490 4.046 20 30 EIEDHO N#Cc1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536708879 1046721907 /nfs/dbraw/zinc/72/19/07/1046721907.db2.gz ZMLIPLRKBGTSKT-UHFFFAOYSA-N 1 3 345.490 4.046 20 30 EIEDHO Cc1cc(C#N)ccc1CNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000615798793 1049780154 /nfs/dbraw/zinc/78/01/54/1049780154.db2.gz YEVPXCCYEKNCIB-OALUTQOASA-N 1 3 347.506 4.113 20 30 EIEDHO Cc1cc(C#N)ccc1CNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000615798795 1049780730 /nfs/dbraw/zinc/78/07/30/1049780730.db2.gz YEVPXCCYEKNCIB-RTBURBONSA-N 1 3 347.506 4.113 20 30 EIEDHO N#Cc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000813790018 1049817427 /nfs/dbraw/zinc/81/74/27/1049817427.db2.gz GZRJWQRTBOLHRO-NOTZXAQLSA-N 1 3 345.490 4.234 20 30 EIEDHO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172064538 1049851132 /nfs/dbraw/zinc/85/11/32/1049851132.db2.gz GZRJWQRTBOLHRO-WBDAEOGXSA-N 1 3 345.490 4.234 20 30 EIEDHO CCCCCCC[C@H](CCC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001172502078 1049922697 /nfs/dbraw/zinc/92/26/97/1049922697.db2.gz NMVCOUQMDIYHGJ-FQEVSTJZSA-N 1 3 325.585 4.131 20 30 EIEDHO N#CCC1CCC(N2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001173334315 1050425469 /nfs/dbraw/zinc/42/54/69/1050425469.db2.gz VIVWDEVMWZRZJC-UHFFFAOYSA-N 1 3 331.891 4.062 20 30 EIEDHO C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618801691 1050519431 /nfs/dbraw/zinc/51/94/31/1050519431.db2.gz BRJLGPRUFGRRIB-JWNTYJGQSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618801691 1050519445 /nfs/dbraw/zinc/51/94/45/1050519445.db2.gz BRJLGPRUFGRRIB-JWNTYJGQSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542946940 1056834074 /nfs/dbraw/zinc/83/40/74/1056834074.db2.gz GJDMHGMPPDYVQR-GOSISDBHSA-N 1 3 333.479 4.362 20 30 EIEDHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745624 1027221960 /nfs/dbraw/zinc/22/19/60/1027221960.db2.gz RRWSUBDIQYAGIS-VGSWGCGISA-N 1 3 333.479 4.360 20 30 EIEDHO CC[NH+](CC)Cc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594925499 1038430258 /nfs/dbraw/zinc/43/02/58/1038430258.db2.gz NBHMNGYJSSJLQH-UHFFFAOYSA-N 1 3 347.506 4.373 20 30 EIEDHO C[C@H](NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399546 1040196792 /nfs/dbraw/zinc/19/67/92/1040196792.db2.gz WIMNMJTWEILWNT-FHWLQOOXSA-N 1 3 347.506 4.365 20 30 EIEDHO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000551560337 1040410892 /nfs/dbraw/zinc/41/08/92/1040410892.db2.gz RMQXTCDVSJCXCW-NQIIRXRSSA-N 1 3 345.490 4.048 20 30 EIEDHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271942054 1042534600 /nfs/dbraw/zinc/53/46/00/1042534600.db2.gz OZJFIWAOQUHTIH-INIZCTEOSA-N 1 3 339.458 4.390 20 30 EIEDHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000154320699 1046813164 /nfs/dbraw/zinc/81/31/64/1046813164.db2.gz OOXSMCYNSVHMQF-SPEDKVCISA-N 1 3 333.479 4.119 20 30 EIEDHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000154320699 1046813168 /nfs/dbraw/zinc/81/31/68/1046813168.db2.gz OOXSMCYNSVHMQF-SPEDKVCISA-N 1 3 333.479 4.119 20 30 EIEDHO N=C(Nc1ccc([C@H]2CCC[NH2+]2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184425 1048673851 /nfs/dbraw/zinc/67/38/51/1048673851.db2.gz KEFWUEIFEBEATA-HXUWFJFHSA-N 1 3 331.419 4.007 20 30 EIEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(N(C)Cc2ccccc2)CC1 ZINC001172308420 1049875024 /nfs/dbraw/zinc/87/50/24/1049875024.db2.gz XVCUAQAKHWGVBW-IBGZPJMESA-N 1 3 347.506 4.086 20 30 EIEDHO C=CC[NH+]1CCC(N[C@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000179109942 1023204073 /nfs/dbraw/zinc/20/40/73/1023204073.db2.gz NEQVLMGZQXFFEU-SFHVURJKSA-N 1 3 334.891 4.102 20 30 EIEDHO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000289492032 1024336356 /nfs/dbraw/zinc/33/63/56/1024336356.db2.gz GIEMPYUFYFDREP-HXUWFJFHSA-N 1 3 327.516 4.208 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000247507060 1024780248 /nfs/dbraw/zinc/78/02/48/1024780248.db2.gz YDMMYTAQBZUBCI-ZAAXVRCTSA-N 1 3 339.508 4.353 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000247507060 1024780263 /nfs/dbraw/zinc/78/02/63/1024780263.db2.gz YDMMYTAQBZUBCI-ZAAXVRCTSA-N 1 3 339.508 4.353 20 30 EIEDHO Cc1cc(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1C#N ZINC000443990204 1028710043 /nfs/dbraw/zinc/71/00/43/1028710043.db2.gz SHSQTJAMPRJRJF-UHFFFAOYSA-N 1 3 347.506 4.388 20 30 EIEDHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323086 1035822476 /nfs/dbraw/zinc/82/24/76/1035822476.db2.gz RPSOHXWHKCXCFN-JTHBVZDNSA-N 1 3 345.490 4.141 20 30 EIEDHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323086 1035822478 /nfs/dbraw/zinc/82/24/78/1035822478.db2.gz RPSOHXWHKCXCFN-JTHBVZDNSA-N 1 3 345.490 4.141 20 30 EIEDHO CN1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323086 1035822483 /nfs/dbraw/zinc/82/24/83/1035822483.db2.gz RPSOHXWHKCXCFN-JTHBVZDNSA-N 1 3 345.490 4.141 20 30 EIEDHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323086 1035822488 /nfs/dbraw/zinc/82/24/88/1035822488.db2.gz RPSOHXWHKCXCFN-JTHBVZDNSA-N 1 3 345.490 4.141 20 30 EIEDHO N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000589336966 1036738872 /nfs/dbraw/zinc/73/88/72/1036738872.db2.gz PIBPUFATLGATBO-NFBKMPQASA-N 1 3 345.490 4.047 20 30 EIEDHO N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000589336966 1036738893 /nfs/dbraw/zinc/73/88/93/1036738893.db2.gz PIBPUFATLGATBO-NFBKMPQASA-N 1 3 345.490 4.047 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363608 1037912626 /nfs/dbraw/zinc/91/26/26/1037912626.db2.gz FZNQCAOZNJBXHH-PGRDOPGGSA-N 1 3 345.490 4.406 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363608 1037912645 /nfs/dbraw/zinc/91/26/45/1037912645.db2.gz FZNQCAOZNJBXHH-PGRDOPGGSA-N 1 3 345.490 4.406 20 30 EIEDHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271916386 1042519266 /nfs/dbraw/zinc/51/92/66/1042519266.db2.gz GNJRZBJSXROUIG-MRXNPFEDSA-N 1 3 339.458 4.390 20 30 EIEDHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271942057 1042538590 /nfs/dbraw/zinc/53/85/90/1042538590.db2.gz OZJFIWAOQUHTIH-MRXNPFEDSA-N 1 3 339.458 4.390 20 30 EIEDHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168006948 1043010593 /nfs/dbraw/zinc/01/05/93/1043010593.db2.gz PSTVPPMDGOVSCM-OPMZPASUSA-N 1 3 333.479 4.089 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033845 1043586688 /nfs/dbraw/zinc/58/66/88/1043586688.db2.gz QDSFUIFNVZUQRT-HYFFOGBASA-N 1 3 333.479 4.359 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033845 1043586697 /nfs/dbraw/zinc/58/66/97/1043586697.db2.gz QDSFUIFNVZUQRT-HYFFOGBASA-N 1 3 333.479 4.359 20 30 EIEDHO N#CC1(c2ccccc2)CCC([N@H+](CCCN)C2CCCCC2)CC1 ZINC001170358961 1046013986 /nfs/dbraw/zinc/01/39/86/1046013986.db2.gz JFTWHCWAOCYESB-UHFFFAOYSA-N 1 3 339.527 4.374 20 30 EIEDHO N#CC1(c2ccccc2)CCC([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001170358961 1046014002 /nfs/dbraw/zinc/01/40/02/1046014002.db2.gz JFTWHCWAOCYESB-UHFFFAOYSA-N 1 3 339.527 4.374 20 30 EIEDHO C[N@@H+]1CC[C@@H](c2ccc(NC(=N)c3ccc4cc(O)ccc4c3)cc2)C1 ZINC001171185387 1048682252 /nfs/dbraw/zinc/68/22/52/1048682252.db2.gz ITWWCZPCRHIUPB-LJQANCHMSA-N 1 3 345.446 4.002 20 30 EIEDHO C[N@H+]1CC[C@@H](c2ccc(NC(=N)c3ccc4cc(O)ccc4c3)cc2)C1 ZINC001171185387 1048682255 /nfs/dbraw/zinc/68/22/55/1048682255.db2.gz ITWWCZPCRHIUPB-LJQANCHMSA-N 1 3 345.446 4.002 20 30 EIEDHO N#CC[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075027 1049844467 /nfs/dbraw/zinc/84/44/67/1049844467.db2.gz NLPUCYDBKZPCRR-KJJMTIBFSA-N 1 3 337.511 4.198 20 30 EIEDHO N#CC[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075027 1049844469 /nfs/dbraw/zinc/84/44/69/1049844469.db2.gz NLPUCYDBKZPCRR-KJJMTIBFSA-N 1 3 337.511 4.198 20 30 EIEDHO N#C[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172073563 1049844775 /nfs/dbraw/zinc/84/47/75/1049844775.db2.gz AMJQSMAJCPTKET-PSWRPDDJSA-N 1 3 337.511 4.198 20 30 EIEDHO N#C[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172073563 1049844779 /nfs/dbraw/zinc/84/47/79/1049844779.db2.gz AMJQSMAJCPTKET-PSWRPDDJSA-N 1 3 337.511 4.198 20 30 EIEDHO Cc1cc(N2CC[NH+](C3CCC(CC#N)CC3)CC2)c2ccccc2n1 ZINC001173331316 1050422373 /nfs/dbraw/zinc/42/23/73/1050422373.db2.gz ODMHZAXOICJGFS-UHFFFAOYSA-N 1 3 348.494 4.138 20 30 EIEDHO C[N@H+](Cc1ccccc1)C1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173339449 1050427392 /nfs/dbraw/zinc/42/73/92/1050427392.db2.gz PCOLMNPNLZRGHI-UHFFFAOYSA-N 1 3 325.500 4.055 20 30 EIEDHO C[N@@H+](Cc1ccccc1)C1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173339449 1050427402 /nfs/dbraw/zinc/42/74/02/1050427402.db2.gz PCOLMNPNLZRGHI-UHFFFAOYSA-N 1 3 325.500 4.055 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000152999169 1050926872 /nfs/dbraw/zinc/92/68/72/1050926872.db2.gz RSHMGTPRVGWQKQ-AWEZNQCLSA-N 1 3 326.406 4.397 20 30 EIEDHO CCCCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001201815146 1054915817 /nfs/dbraw/zinc/91/58/17/1054915817.db2.gz XMFUWCUJVKOSHF-SFTDATJTSA-N 1 3 336.564 4.027 20 30 EIEDHO CCCCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001201815146 1054915827 /nfs/dbraw/zinc/91/58/27/1054915827.db2.gz XMFUWCUJVKOSHF-SFTDATJTSA-N 1 3 336.564 4.027 20 30 EIEDHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3cccc(C#N)c3)cc2)C1 ZINC000067668313 524096126 /nfs/dbraw/zinc/09/61/26/524096126.db2.gz NZJSPIPUYVLZHP-SFHVURJKSA-N 1 3 333.479 4.080 20 30 EIEDHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3cccc(C#N)c3)cc2)C1 ZINC000067668313 524096136 /nfs/dbraw/zinc/09/61/36/524096136.db2.gz NZJSPIPUYVLZHP-SFHVURJKSA-N 1 3 333.479 4.080 20 30 EIEDHO C[C@H]([NH2+]C[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444914 1022822633 /nfs/dbraw/zinc/82/26/33/1022822633.db2.gz YVRNDROJHKWWTN-BQFCYCMXSA-N 1 3 339.508 4.181 20 30 EIEDHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065499 1022849210 /nfs/dbraw/zinc/84/92/10/1022849210.db2.gz XZENSHBJDREWAS-WIYYLYMNSA-N 1 3 333.479 4.121 20 30 EIEDHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065499 1022849212 /nfs/dbraw/zinc/84/92/12/1022849212.db2.gz XZENSHBJDREWAS-WIYYLYMNSA-N 1 3 333.479 4.121 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187977829 1026912105 /nfs/dbraw/zinc/91/21/05/1026912105.db2.gz HIGVKLLARIUCKM-LJQANCHMSA-N 1 3 346.540 4.252 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000153019332 1026927294 /nfs/dbraw/zinc/92/72/94/1026927294.db2.gz FAQZGEPYJFUSIZ-OAHLLOKOSA-N 1 3 334.529 4.108 20 30 EIEDHO C[C@@H]1C[C@@H](N2CCC[C@@H](C#N)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063951 1029622534 /nfs/dbraw/zinc/62/25/34/1029622534.db2.gz OPYIDOYNYBYBID-RCLSDMTESA-N 1 3 325.500 4.054 20 30 EIEDHO C[C@@H]1C[C@@H](N2CCC[C@@H](C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063951 1029622537 /nfs/dbraw/zinc/62/25/37/1029622537.db2.gz OPYIDOYNYBYBID-RCLSDMTESA-N 1 3 325.500 4.054 20 30 EIEDHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323080 1035823341 /nfs/dbraw/zinc/82/33/41/1035823341.db2.gz RPSOHXWHKCXCFN-GGAORHGYSA-N 1 3 345.490 4.141 20 30 EIEDHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323080 1035823349 /nfs/dbraw/zinc/82/33/49/1035823349.db2.gz RPSOHXWHKCXCFN-GGAORHGYSA-N 1 3 345.490 4.141 20 30 EIEDHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323080 1035823351 /nfs/dbraw/zinc/82/33/51/1035823351.db2.gz RPSOHXWHKCXCFN-GGAORHGYSA-N 1 3 345.490 4.141 20 30 EIEDHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323080 1035823355 /nfs/dbraw/zinc/82/33/55/1035823355.db2.gz RPSOHXWHKCXCFN-GGAORHGYSA-N 1 3 345.490 4.141 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000245881464 1044197974 /nfs/dbraw/zinc/19/79/74/1044197974.db2.gz KWAGRJQXPBTGID-ZAAXVRCTSA-N 1 3 339.508 4.353 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000245881464 1044197995 /nfs/dbraw/zinc/19/79/95/1044197995.db2.gz KWAGRJQXPBTGID-ZAAXVRCTSA-N 1 3 339.508 4.353 20 30 EIEDHO CCCCN(C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170358886 1046013921 /nfs/dbraw/zinc/01/39/21/1046013921.db2.gz CGSHLSFYAAGOBA-UHFFFAOYSA-N 1 3 327.516 4.102 20 30 EIEDHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000154320613 1046813247 /nfs/dbraw/zinc/81/32/47/1046813247.db2.gz OOXSMCYNSVHMQF-FGSXEWAUSA-N 1 3 333.479 4.119 20 30 EIEDHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000154320613 1046813249 /nfs/dbraw/zinc/81/32/49/1046813249.db2.gz OOXSMCYNSVHMQF-FGSXEWAUSA-N 1 3 333.479 4.119 20 30 EIEDHO N=C(Nc1ccc([C@@H]2CCC[NH2+]2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184423 1048674181 /nfs/dbraw/zinc/67/41/81/1048674181.db2.gz KEFWUEIFEBEATA-FQEVSTJZSA-N 1 3 331.419 4.007 20 30 EIEDHO C[C@@H](c1ccc(C#N)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609822825 1049344975 /nfs/dbraw/zinc/34/49/75/1049344975.db2.gz GEVXADKDYQDBBI-SFHVURJKSA-N 1 3 325.500 4.207 20 30 EIEDHO C#CC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC001172068228 1049851014 /nfs/dbraw/zinc/85/10/14/1049851014.db2.gz JAWSSJTZQXILLN-DKUWSORSSA-N 1 3 336.523 4.498 20 30 EIEDHO C#CC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC001172068228 1049851016 /nfs/dbraw/zinc/85/10/16/1049851016.db2.gz JAWSSJTZQXILLN-DKUWSORSSA-N 1 3 336.523 4.498 20 30 EIEDHO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172300255 1049883028 /nfs/dbraw/zinc/88/30/28/1049883028.db2.gz SSOZCEKPUVUOQW-GOSISDBHSA-N 1 3 339.527 4.124 20 30 EIEDHO CCN(Cc1ccccc1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173340296 1050431129 /nfs/dbraw/zinc/43/11/29/1050431129.db2.gz ZPKNBLHWDOUZBZ-UHFFFAOYSA-N 1 3 339.527 4.445 20 30 EIEDHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000582957000 1027765474 /nfs/dbraw/zinc/76/54/74/1027765474.db2.gz KZMJJVFKTHRJIJ-JOCHJYFZSA-N 1 3 333.479 4.177 20 30 EIEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000531654919 1031449869 /nfs/dbraw/zinc/44/98/69/1031449869.db2.gz VGOBXVVUNJXTQM-SFHVURJKSA-N 1 3 325.500 4.035 20 30 EIEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000531654919 1031449877 /nfs/dbraw/zinc/44/98/77/1031449877.db2.gz VGOBXVVUNJXTQM-SFHVURJKSA-N 1 3 325.500 4.035 20 30 EIEDHO CC1(C#N)CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000449332161 1031629824 /nfs/dbraw/zinc/62/98/24/1031629824.db2.gz BXVGWEDTUWBAKS-ITAUSPCMSA-N 1 3 339.527 4.351 20 30 EIEDHO N#CC1(c2ccc(CNCc3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000594915996 1038426443 /nfs/dbraw/zinc/42/64/43/1038426443.db2.gz ZOSJRJJZIZAJBZ-UHFFFAOYSA-N 1 3 345.490 4.127 20 30 EIEDHO C=CCOc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1Cl ZINC000414816023 1039098274 /nfs/dbraw/zinc/09/82/74/1039098274.db2.gz YWZNYSFOZJEFDB-CQSZACIVSA-N 1 3 330.859 4.214 20 30 EIEDHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271984506 1042611826 /nfs/dbraw/zinc/61/18/26/1042611826.db2.gz ZUFJFZFJFDZYBG-MRXNPFEDSA-N 1 3 339.458 4.390 20 30 EIEDHO Cc1cc(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1C#N ZINC000443984432 1042728908 /nfs/dbraw/zinc/72/89/08/1042728908.db2.gz XOXBNVWPYJAEKL-SFHVURJKSA-N 1 3 347.506 4.388 20 30 EIEDHO Cc1cc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1C#N ZINC000443984432 1042728916 /nfs/dbraw/zinc/72/89/16/1042728916.db2.gz XOXBNVWPYJAEKL-SFHVURJKSA-N 1 3 347.506 4.388 20 30 EIEDHO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001171196353 1048707073 /nfs/dbraw/zinc/70/70/73/1048707073.db2.gz ZNPKKBGSYDSWCO-SFHVURJKSA-N 1 3 339.527 4.124 20 30 EIEDHO C[C@@H](Cc1cccc(C#N)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001171196353 1048707087 /nfs/dbraw/zinc/70/70/87/1048707087.db2.gz ZNPKKBGSYDSWCO-SFHVURJKSA-N 1 3 339.527 4.124 20 30 EIEDHO N#C[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172073567 1049843763 /nfs/dbraw/zinc/84/37/63/1049843763.db2.gz AMJQSMAJCPTKET-YJMBLLCNSA-N 1 3 337.511 4.198 20 30 EIEDHO N#C[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172073567 1049843768 /nfs/dbraw/zinc/84/37/68/1049843768.db2.gz AMJQSMAJCPTKET-YJMBLLCNSA-N 1 3 337.511 4.198 20 30 EIEDHO C[C@H](CCCC#N)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001172489018 1049920771 /nfs/dbraw/zinc/92/07/71/1049920771.db2.gz YCGUULMEVOVORW-MRXNPFEDSA-N 1 3 333.907 4.224 20 30 EIEDHO N#CCC1CCC(N2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001173331663 1050422036 /nfs/dbraw/zinc/42/20/36/1050422036.db2.gz DIIVTZUYDWWBBW-UHFFFAOYSA-N 1 3 331.891 4.062 20 30 EIEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000532165918 1032070342 /nfs/dbraw/zinc/07/03/42/1032070342.db2.gz OTEXVLWWJGKIHK-GOSISDBHSA-N 1 3 325.500 4.035 20 30 EIEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000532165918 1032070354 /nfs/dbraw/zinc/07/03/54/1032070354.db2.gz OTEXVLWWJGKIHK-GOSISDBHSA-N 1 3 325.500 4.035 20 30 EIEDHO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165160 1030861859 /nfs/dbraw/zinc/86/18/59/1030861859.db2.gz PVRVPGYOCRXLFL-SFTDATJTSA-N 1 3 327.516 4.018 20 30 EIEDHO CC(C)(CCC#N)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000595001580 1035523089 /nfs/dbraw/zinc/52/30/89/1035523089.db2.gz XHYXCHADZALLDE-FQEVSTJZSA-N 1 3 339.527 4.208 20 30 EIEDHO N#CCc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602701662 1036577211 /nfs/dbraw/zinc/57/72/11/1036577211.db2.gz WRQQJHKYIJTPMS-GGAORHGYSA-N 1 3 345.490 4.210 20 30 EIEDHO N#CCc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602701662 1036577239 /nfs/dbraw/zinc/57/72/39/1036577239.db2.gz WRQQJHKYIJTPMS-GGAORHGYSA-N 1 3 345.490 4.210 20 30 EIEDHO C=CCOc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000065976660 1043520249 /nfs/dbraw/zinc/52/02/49/1043520249.db2.gz VHITWNRSHXVURR-UHFFFAOYSA-N 1 3 338.495 4.381 20 30 EIEDHO C=CCOc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000065976660 1043520267 /nfs/dbraw/zinc/52/02/67/1043520267.db2.gz VHITWNRSHXVURR-UHFFFAOYSA-N 1 3 338.495 4.381 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000174158264 1044228003 /nfs/dbraw/zinc/22/80/03/1044228003.db2.gz YDMMYTAQBZUBCI-CVAIRZPRSA-N 1 3 339.508 4.353 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000174158264 1044228021 /nfs/dbraw/zinc/22/80/21/1044228021.db2.gz YDMMYTAQBZUBCI-CVAIRZPRSA-N 1 3 339.508 4.353 20 30 EIEDHO CCCCCCC[C@@H](CCC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001172502079 1049923087 /nfs/dbraw/zinc/92/30/87/1049923087.db2.gz NMVCOUQMDIYHGJ-HXUWFJFHSA-N 1 3 325.585 4.131 20 30 EIEDHO C[C@H](c1cccc(C#N)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000614494671 1035237514 /nfs/dbraw/zinc/23/75/14/1035237514.db2.gz AQCDDHZTHNDIPA-GOSISDBHSA-N 1 3 325.500 4.207 20 30 EIEDHO CC(C)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CN1CCCC1 ZINC000477918079 1039228154 /nfs/dbraw/zinc/22/81/54/1039228154.db2.gz PHLRUKQCKQUVNA-UHFFFAOYSA-N 1 3 339.527 4.102 20 30 EIEDHO CC[NH+](CC)Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000554996772 1043802221 /nfs/dbraw/zinc/80/22/21/1043802221.db2.gz CUHOCJAJXBKDLI-QFIPXVFZSA-N 1 3 333.479 4.177 20 30 EIEDHO CCN(Cc1ccccc1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173596131 1050497587 /nfs/dbraw/zinc/49/75/87/1050497587.db2.gz KOBNSJJBZHMGAG-UHFFFAOYSA-N 1 3 339.527 4.445 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000153049858 1050943032 /nfs/dbraw/zinc/94/30/32/1050943032.db2.gz UBCUXUWYQJBBAJ-AWEZNQCLSA-N 1 3 342.405 4.276 20 30 EIEDHO C=CCCCCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001209442121 1020351103 /nfs/dbraw/zinc/35/11/03/1020351103.db2.gz UEBQXVHTRRHWJQ-VXKWHMMOSA-N 1 3 348.575 4.193 20 30 EIEDHO C=CCCCCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001209442121 1020351116 /nfs/dbraw/zinc/35/11/16/1020351116.db2.gz UEBQXVHTRRHWJQ-VXKWHMMOSA-N 1 3 348.575 4.193 20 30 EIEDHO CN(C)CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000519796154 1026993768 /nfs/dbraw/zinc/99/37/68/1026993768.db2.gz YJNRAHHRTPQSHK-MRXNPFEDSA-N 1 3 341.421 4.033 20 30 EIEDHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745621 1027224137 /nfs/dbraw/zinc/22/41/37/1027224137.db2.gz RRWSUBDIQYAGIS-HTAPYJJXSA-N 1 3 333.479 4.360 20 30 EIEDHO C[C@@H]1C[C@@H](N2CCC[C@H](CC#N)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058787 1029372251 /nfs/dbraw/zinc/37/22/51/1029372251.db2.gz CFNZOZZOPUYCDT-KOUHRCEDSA-N 1 3 325.500 4.054 20 30 EIEDHO C[C@@H]1C[C@@H](N2CCC[C@H](CC#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058787 1029372269 /nfs/dbraw/zinc/37/22/69/1029372269.db2.gz CFNZOZZOPUYCDT-KOUHRCEDSA-N 1 3 325.500 4.054 20 30 EIEDHO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1(C)C ZINC000598973449 1036837544 /nfs/dbraw/zinc/83/75/44/1036837544.db2.gz ITFRWSNOJIBYFG-FQEVSTJZSA-N 1 3 333.479 4.188 20 30 EIEDHO N#C[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000185817404 1043222855 /nfs/dbraw/zinc/22/28/55/1043222855.db2.gz JKBMJMSVMKLDFY-HKUYNNGSSA-N 1 3 345.918 4.224 20 30 EIEDHO C#Cc1ccc(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001144578750 1048730375 /nfs/dbraw/zinc/73/03/75/1048730375.db2.gz MNNXLLFJDPRIFZ-OLKYXYMISA-N 1 3 346.518 4.063 20 30 EIEDHO C#Cc1ccc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001144578750 1048730388 /nfs/dbraw/zinc/73/03/88/1048730388.db2.gz MNNXLLFJDPRIFZ-OLKYXYMISA-N 1 3 346.518 4.063 20 30 EIEDHO C[C@@H](CCCC#N)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001172489017 1049920590 /nfs/dbraw/zinc/92/05/90/1049920590.db2.gz YCGUULMEVOVORW-INIZCTEOSA-N 1 3 333.907 4.224 20 30 EIEDHO CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN([C@H](C)CCCC#N)C[C@@H]21 ZINC001172500232 1049923199 /nfs/dbraw/zinc/92/31/99/1049923199.db2.gz XVZOZRHHKFTYDG-SEVLPDGMSA-N 1 3 325.500 4.179 20 30 EIEDHO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN([C@H](C)CCCC#N)C[C@@H]21 ZINC001172500232 1049923205 /nfs/dbraw/zinc/92/32/05/1049923205.db2.gz XVZOZRHHKFTYDG-SEVLPDGMSA-N 1 3 325.500 4.179 20 30 EIEDHO Cc1cc(C#N)cc(C)c1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000921505463 1052773460 /nfs/dbraw/zinc/77/34/60/1052773460.db2.gz YWJHHKKGSWZPTR-UHFFFAOYSA-N 1 3 333.479 4.061 20 30 EIEDHO CC[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447563754 1030174985 /nfs/dbraw/zinc/17/49/85/1030174985.db2.gz SDYZOGDVNAHXHP-QHCPKHFHSA-N 1 3 347.506 4.306 20 30 EIEDHO N#CCc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602701663 1036578497 /nfs/dbraw/zinc/57/84/97/1036578497.db2.gz WRQQJHKYIJTPMS-GMAHTHKFSA-N 1 3 345.490 4.210 20 30 EIEDHO N#CCc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602701663 1036578506 /nfs/dbraw/zinc/57/85/06/1036578506.db2.gz WRQQJHKYIJTPMS-GMAHTHKFSA-N 1 3 345.490 4.210 20 30 EIEDHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336603 1036737592 /nfs/dbraw/zinc/73/75/92/1036737592.db2.gz XIKOMOJQLMFNFC-QFIPXVFZSA-N 1 3 333.479 4.177 20 30 EIEDHO N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000589336970 1036739851 /nfs/dbraw/zinc/73/98/51/1036739851.db2.gz PIBPUFATLGATBO-NZQKXSOJSA-N 1 3 345.490 4.047 20 30 EIEDHO N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000589336970 1036739871 /nfs/dbraw/zinc/73/98/71/1036739871.db2.gz PIBPUFATLGATBO-NZQKXSOJSA-N 1 3 345.490 4.047 20 30 EIEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000481665881 1039714826 /nfs/dbraw/zinc/71/48/26/1039714826.db2.gz DRTGNZKONJOYTR-QFIPXVFZSA-N 1 3 337.511 4.322 20 30 EIEDHO N#Cc1cccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534962967 1039877247 /nfs/dbraw/zinc/87/72/47/1039877247.db2.gz OBYHLXUZZPNZNS-UHFFFAOYSA-N 1 3 345.490 4.046 20 30 EIEDHO N#Cc1cccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534962967 1039877248 /nfs/dbraw/zinc/87/72/48/1039877248.db2.gz OBYHLXUZZPNZNS-UHFFFAOYSA-N 1 3 345.490 4.046 20 30 EIEDHO Cc1cc(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1C#N ZINC000443984431 1042731378 /nfs/dbraw/zinc/73/13/78/1042731378.db2.gz XOXBNVWPYJAEKL-GOSISDBHSA-N 1 3 347.506 4.388 20 30 EIEDHO Cc1cc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1C#N ZINC000443984431 1042731391 /nfs/dbraw/zinc/73/13/91/1042731391.db2.gz XOXBNVWPYJAEKL-GOSISDBHSA-N 1 3 347.506 4.388 20 30 EIEDHO N#Cc1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001168002080 1042873845 /nfs/dbraw/zinc/87/38/45/1042873845.db2.gz DILZOEKTGJNEKY-AIZNXBIQSA-N 1 3 349.522 4.143 20 30 EIEDHO N#Cc1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001168002080 1042873848 /nfs/dbraw/zinc/87/38/48/1042873848.db2.gz DILZOEKTGJNEKY-AIZNXBIQSA-N 1 3 349.522 4.143 20 30 EIEDHO CCCCCCCCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000792268453 1045885601 /nfs/dbraw/zinc/88/56/01/1045885601.db2.gz IURBKCZZAKUKRU-UHFFFAOYSA-N 1 3 337.596 4.227 20 30 EIEDHO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001171196352 1048705945 /nfs/dbraw/zinc/70/59/45/1048705945.db2.gz ZNPKKBGSYDSWCO-GOSISDBHSA-N 1 3 339.527 4.124 20 30 EIEDHO C[C@H](Cc1cccc(C#N)c1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001171196352 1048705959 /nfs/dbraw/zinc/70/59/59/1048705959.db2.gz ZNPKKBGSYDSWCO-GOSISDBHSA-N 1 3 339.527 4.124 20 30 EIEDHO CC1(C)C[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001171963745 1049825824 /nfs/dbraw/zinc/82/58/24/1049825824.db2.gz JAEFDVGVWOAXBV-OAQYLSRUSA-N 1 3 333.479 4.091 20 30 EIEDHO N#C[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172073565 1049845628 /nfs/dbraw/zinc/84/56/28/1049845628.db2.gz AMJQSMAJCPTKET-VXSCBNMQSA-N 1 3 337.511 4.198 20 30 EIEDHO N#C[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172073565 1049845629 /nfs/dbraw/zinc/84/56/29/1049845629.db2.gz AMJQSMAJCPTKET-VXSCBNMQSA-N 1 3 337.511 4.198 20 30 EIEDHO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(N(C)Cc2ccccc2)CC1 ZINC001172308426 1049874737 /nfs/dbraw/zinc/87/47/37/1049874737.db2.gz XVCUAQAKHWGVBW-LJQANCHMSA-N 1 3 347.506 4.086 20 30 EIEDHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618805553 1050534572 /nfs/dbraw/zinc/53/45/72/1050534572.db2.gz HMUKLJUUKORBQZ-OAOOKAIFSA-N 1 3 345.490 4.188 20 30 EIEDHO C[C@@H]1C[C@H](N[C@H]2CCc3cc(C#N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000618805553 1050534584 /nfs/dbraw/zinc/53/45/84/1050534584.db2.gz HMUKLJUUKORBQZ-OAOOKAIFSA-N 1 3 345.490 4.188 20 30 EIEDHO CCCCCCCCCCCN1CCN(CC[NH+]2CCCC2)CC1 ZINC001201631722 1054860177 /nfs/dbraw/zinc/86/01/77/1054860177.db2.gz ZDTULWYJBYKWSM-UHFFFAOYSA-N 1 3 337.596 4.231 20 30 EIEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000178258116 1023875668 /nfs/dbraw/zinc/87/56/68/1023875668.db2.gz MKTCNNCTRUMBGX-MRXNPFEDSA-N 1 3 348.918 4.343 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000181810719 1024493697 /nfs/dbraw/zinc/49/36/97/1024493697.db2.gz KWAGRJQXPBTGID-QSFXBCCZSA-N 1 3 339.508 4.353 20 30 EIEDHO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000181810719 1024493712 /nfs/dbraw/zinc/49/37/12/1024493712.db2.gz KWAGRJQXPBTGID-QSFXBCCZSA-N 1 3 339.508 4.353 20 30 EIEDHO N#Cc1cccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167995371 1027754849 /nfs/dbraw/zinc/75/48/49/1027754849.db2.gz CRGVLUSCZWZUNP-AIZNXBIQSA-N 1 3 349.522 4.143 20 30 EIEDHO N#Cc1cccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167995371 1027754875 /nfs/dbraw/zinc/75/48/75/1027754875.db2.gz CRGVLUSCZWZUNP-AIZNXBIQSA-N 1 3 349.522 4.143 20 30 EIEDHO C=CCOc1cccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000522949339 1029119790 /nfs/dbraw/zinc/11/97/90/1029119790.db2.gz MNGIGENLOGDCKG-UHFFFAOYSA-N 1 3 338.495 4.381 20 30 EIEDHO C=CCOc1cccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000522949339 1029119799 /nfs/dbraw/zinc/11/97/99/1029119799.db2.gz MNGIGENLOGDCKG-UHFFFAOYSA-N 1 3 338.495 4.381 20 30 EIEDHO C=C(C)COc1cc(C[NH2+]C2CCN(CCCC)CC2)ccc1OC ZINC000057969786 1037350872 /nfs/dbraw/zinc/35/08/72/1037350872.db2.gz SMSLLAFZSLLJMG-UHFFFAOYSA-N 1 3 346.515 4.004 20 30 EIEDHO C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516690453 1041710023 /nfs/dbraw/zinc/71/00/23/1041710023.db2.gz PJPJWWRSQMRYHQ-LXBDKUERSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516690453 1041710028 /nfs/dbraw/zinc/71/00/28/1041710028.db2.gz PJPJWWRSQMRYHQ-LXBDKUERSA-N 1 3 345.490 4.046 20 30 EIEDHO CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271957258 1042565137 /nfs/dbraw/zinc/56/51/37/1042565137.db2.gz SKGNGCFFSOKIIU-MRXNPFEDSA-N 1 3 339.458 4.388 20 30 EIEDHO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271957258 1042565141 /nfs/dbraw/zinc/56/51/41/1042565141.db2.gz SKGNGCFFSOKIIU-MRXNPFEDSA-N 1 3 339.458 4.388 20 30 EIEDHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1C#N ZINC000444000319 1042745597 /nfs/dbraw/zinc/74/55/97/1042745597.db2.gz VOKFTNIKLOENBN-NOTZXAQLSA-N 1 3 345.490 4.152 20 30 EIEDHO C[C@H]1CC([NH2+]Cc2cccc(C#N)c2)C[C@H](C)N1Cc1ccccc1 ZINC001168006957 1043011435 /nfs/dbraw/zinc/01/14/35/1043011435.db2.gz PSTVPPMDGOVSCM-ROUUACIJSA-N 1 3 333.479 4.089 20 30 EIEDHO C[N@H+](CCCN[C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000611390231 1045302323 /nfs/dbraw/zinc/30/23/23/1045302323.db2.gz LFVIPYKMAGFDCA-JOCHJYFZSA-N 1 3 333.479 4.047 20 30 EIEDHO C[N@@H+](CCCN[C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000611390231 1045302331 /nfs/dbraw/zinc/30/23/31/1045302331.db2.gz LFVIPYKMAGFDCA-JOCHJYFZSA-N 1 3 333.479 4.047 20 30 EIEDHO CN1C(C)(C)CC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1(C)C ZINC001171642643 1049781428 /nfs/dbraw/zinc/78/14/28/1049781428.db2.gz LBZNETCWSJFSRG-UHFFFAOYSA-N 1 3 339.527 4.389 20 30 EIEDHO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC001171961853 1049825595 /nfs/dbraw/zinc/82/55/95/1049825595.db2.gz BGERVDYTDHHJLG-OAQYLSRUSA-N 1 3 333.479 4.091 20 30 EIEDHO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC001172300257 1049882566 /nfs/dbraw/zinc/88/25/66/1049882566.db2.gz SSOZCEKPUVUOQW-SFHVURJKSA-N 1 3 339.527 4.124 20 30 EIEDHO CC1(C#N)CCC([NH+]2CCC(N)(c3ccccc3Cl)CC2)CC1 ZINC001173590891 1050495380 /nfs/dbraw/zinc/49/53/80/1050495380.db2.gz FDXBEQHZJIYONQ-UHFFFAOYSA-N 1 3 331.891 4.062 20 30 EIEDHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618805554 1050534442 /nfs/dbraw/zinc/53/44/42/1050534442.db2.gz HMUKLJUUKORBQZ-ODOSVJCGSA-N 1 3 345.490 4.188 20 30 EIEDHO C[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000618805554 1050534456 /nfs/dbraw/zinc/53/44/56/1050534456.db2.gz HMUKLJUUKORBQZ-ODOSVJCGSA-N 1 3 345.490 4.188 20 30 EIEDHO CCCN1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000183428474 1051120991 /nfs/dbraw/zinc/12/09/91/1051120991.db2.gz YBGRGBPNTGGYGB-UHFFFAOYSA-N 1 3 333.479 4.189 20 30 EIEDHO CN(C)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000429533580 1054080258 /nfs/dbraw/zinc/08/02/58/1054080258.db2.gz GVIJTBWUPGTXRO-NRFANRHFSA-N 1 3 333.479 4.141 20 30 EIEDHO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000429533580 1054080271 /nfs/dbraw/zinc/08/02/71/1054080271.db2.gz GVIJTBWUPGTXRO-NRFANRHFSA-N 1 3 333.479 4.141 20 30 EIEDHO C[C@H]([NH2+]C[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444916 1022823490 /nfs/dbraw/zinc/82/34/90/1022823490.db2.gz YVRNDROJHKWWTN-SOLBZPMBSA-N 1 3 339.508 4.181 20 30 EIEDHO CC[NH+](CC)CCC[C@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001167836216 1025846345 /nfs/dbraw/zinc/84/63/45/1025846345.db2.gz XRSULSZZVLQQLS-SFHVURJKSA-N 1 3 345.506 4.193 20 30 EIEDHO CC[NH+](CC)CCC[C@@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001167836215 1025846672 /nfs/dbraw/zinc/84/66/72/1025846672.db2.gz XRSULSZZVLQQLS-GOSISDBHSA-N 1 3 345.506 4.193 20 30 EIEDHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000399174104 1030746072 /nfs/dbraw/zinc/74/60/72/1030746072.db2.gz JHBWOLXCLNEDGO-JOCHJYFZSA-N 1 3 347.506 4.143 20 30 EIEDHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(CC#N)cc1 ZINC000399174104 1030746088 /nfs/dbraw/zinc/74/60/88/1030746088.db2.gz JHBWOLXCLNEDGO-JOCHJYFZSA-N 1 3 347.506 4.143 20 30 EIEDHO N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC000530865503 1030770715 /nfs/dbraw/zinc/77/07/15/1030770715.db2.gz ZAGZNOALWWBMCB-QHCPKHFHSA-N 1 3 345.490 4.046 20 30 EIEDHO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)c1 ZINC000530865503 1030770735 /nfs/dbraw/zinc/77/07/35/1030770735.db2.gz ZAGZNOALWWBMCB-QHCPKHFHSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000398147904 1034551766 /nfs/dbraw/zinc/55/17/66/1034551766.db2.gz OOXSMCYNSVHMQF-NPPFBWRTSA-N 1 3 333.479 4.119 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000398147904 1034551773 /nfs/dbraw/zinc/55/17/73/1034551773.db2.gz OOXSMCYNSVHMQF-NPPFBWRTSA-N 1 3 333.479 4.119 20 30 EIEDHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323064 1035823311 /nfs/dbraw/zinc/82/33/11/1035823311.db2.gz RPSOHXWHKCXCFN-FYYLOGMGSA-N 1 3 345.490 4.141 20 30 EIEDHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323064 1035823312 /nfs/dbraw/zinc/82/33/12/1035823312.db2.gz RPSOHXWHKCXCFN-FYYLOGMGSA-N 1 3 345.490 4.141 20 30 EIEDHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323064 1035823313 /nfs/dbraw/zinc/82/33/13/1035823313.db2.gz RPSOHXWHKCXCFN-FYYLOGMGSA-N 1 3 345.490 4.141 20 30 EIEDHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323064 1035823319 /nfs/dbraw/zinc/82/33/19/1035823319.db2.gz RPSOHXWHKCXCFN-FYYLOGMGSA-N 1 3 345.490 4.141 20 30 EIEDHO C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271913665 1042518389 /nfs/dbraw/zinc/51/83/89/1042518389.db2.gz FMVSRZVHMAYDAE-MRXNPFEDSA-N 1 3 337.442 4.144 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000427706715 1043169924 /nfs/dbraw/zinc/16/99/24/1043169924.db2.gz VQMYMLDWEMBVAM-IBGZPJMESA-N 1 3 330.541 4.470 20 30 EIEDHO C[N@H+](CCCN[C@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000611390232 1045301885 /nfs/dbraw/zinc/30/18/85/1045301885.db2.gz LFVIPYKMAGFDCA-QFIPXVFZSA-N 1 3 333.479 4.047 20 30 EIEDHO C[N@@H+](CCCN[C@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000611390232 1045301892 /nfs/dbraw/zinc/30/18/92/1045301892.db2.gz LFVIPYKMAGFDCA-QFIPXVFZSA-N 1 3 333.479 4.047 20 30 EIEDHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000153684352 1045446546 /nfs/dbraw/zinc/44/65/46/1045446546.db2.gz HHALCFCDWPMKLQ-FGSXEWAUSA-N 1 3 333.479 4.119 20 30 EIEDHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000153684352 1045446553 /nfs/dbraw/zinc/44/65/53/1045446553.db2.gz HHALCFCDWPMKLQ-FGSXEWAUSA-N 1 3 333.479 4.119 20 30 EIEDHO CCCCCCCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000792260633 1045886553 /nfs/dbraw/zinc/88/65/53/1045886553.db2.gz OFCPASHHUMLVOH-UHFFFAOYSA-N 1 3 337.596 4.227 20 30 EIEDHO C=C(Cl)COc1ccc([C@@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000844924949 1048548335 /nfs/dbraw/zinc/54/83/35/1048548335.db2.gz NXUODWZDVSYPQM-MRXNPFEDSA-N 1 3 344.886 4.388 20 30 EIEDHO C=C(Cl)COc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000817968756 1049073481 /nfs/dbraw/zinc/07/34/81/1049073481.db2.gz LUWBFKCCIOCAET-OAHLLOKOSA-N 1 3 342.870 4.272 20 30 EIEDHO N#CC[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075026 1049845664 /nfs/dbraw/zinc/84/56/64/1049845664.db2.gz NLPUCYDBKZPCRR-FNAHDJPLSA-N 1 3 337.511 4.198 20 30 EIEDHO N#CC[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075026 1049845666 /nfs/dbraw/zinc/84/56/66/1049845666.db2.gz NLPUCYDBKZPCRR-FNAHDJPLSA-N 1 3 337.511 4.198 20 30 EIEDHO N#Cc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001172064537 1049851372 /nfs/dbraw/zinc/85/13/72/1049851372.db2.gz GZRJWQRTBOLHRO-NUNAXRQHSA-N 1 3 345.490 4.234 20 30 EIEDHO C#CCCCN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000766930621 1061063134 /nfs/dbraw/zinc/06/31/34/1061063134.db2.gz HOAAJUHSGGUMGV-UHFFFAOYSA-N 1 3 338.417 4.015 20 30 EIEDHO C#CCCCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000766930621 1061063149 /nfs/dbraw/zinc/06/31/49/1061063149.db2.gz HOAAJUHSGGUMGV-UHFFFAOYSA-N 1 3 338.417 4.015 20 30 EIEDHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000067668268 524116167 /nfs/dbraw/zinc/11/61/67/524116167.db2.gz XWBYSCHJUDQMAB-GOSISDBHSA-N 1 3 333.479 4.222 20 30 EIEDHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000067668268 524116174 /nfs/dbraw/zinc/11/61/74/524116174.db2.gz XWBYSCHJUDQMAB-GOSISDBHSA-N 1 3 333.479 4.222 20 30 EIEDHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500115976 1023514090 /nfs/dbraw/zinc/51/40/90/1023514090.db2.gz WLUMMFXCQZCKMF-JSRJAPPDSA-N 1 3 339.527 4.245 20 30 EIEDHO C=C(Cl)COc1ccc([C@@H](C)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000119730684 1025988834 /nfs/dbraw/zinc/98/88/34/1025988834.db2.gz DNDTVSDCFXIUBL-OAHLLOKOSA-N 1 3 334.891 4.095 20 30 EIEDHO C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(C[NH+](C)C)c1 ZINC000926370597 1026148384 /nfs/dbraw/zinc/14/83/84/1026148384.db2.gz QXXLDTBHIMDPPE-CQSZACIVSA-N 1 3 327.859 4.124 20 30 EIEDHO C[C@@H]1C[C@@H](N2CCC[C@@H](CC#N)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058790 1029376988 /nfs/dbraw/zinc/37/69/88/1029376988.db2.gz CFNZOZZOPUYCDT-YHELAOLJSA-N 1 3 325.500 4.054 20 30 EIEDHO C[C@@H]1C[C@@H](N2CCC[C@@H](CC#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058790 1029376992 /nfs/dbraw/zinc/37/69/92/1029376992.db2.gz CFNZOZZOPUYCDT-YHELAOLJSA-N 1 3 325.500 4.054 20 30 EIEDHO C=CCC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccco1 ZINC000658166114 1030862130 /nfs/dbraw/zinc/86/21/30/1030862130.db2.gz MMIUBSRVYHEVLJ-HXUWFJFHSA-N 1 3 339.483 4.184 20 30 EIEDHO C=C(Cl)COc1ccc([C@H](C)NCc2ccccc2C[NH2+]C)cc1 ZINC000844924948 1048549719 /nfs/dbraw/zinc/54/97/19/1048549719.db2.gz NXUODWZDVSYPQM-INIZCTEOSA-N 1 3 344.886 4.388 20 30 EIEDHO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1CN1CCCCC1 ZINC000818356973 1049145895 /nfs/dbraw/zinc/14/58/95/1049145895.db2.gz TUQNLXUYKZHOPF-FUHIMQAGSA-N 1 3 341.499 4.024 20 30 EIEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172312183 1049875315 /nfs/dbraw/zinc/87/53/15/1049875315.db2.gz FOIOTMOSZYKSDE-SFHVURJKSA-N 1 3 339.527 4.218 20 30 EIEDHO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172312183 1049875317 /nfs/dbraw/zinc/87/53/17/1049875317.db2.gz FOIOTMOSZYKSDE-SFHVURJKSA-N 1 3 339.527 4.218 20 30 EIEDHO C[C@@H](Cc1ccc(C#N)cc1)N(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172312183 1049875318 /nfs/dbraw/zinc/87/53/18/1049875318.db2.gz FOIOTMOSZYKSDE-SFHVURJKSA-N 1 3 339.527 4.218 20 30 EIEDHO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172312174 1049875372 /nfs/dbraw/zinc/87/53/72/1049875372.db2.gz FOIOTMOSZYKSDE-GOSISDBHSA-N 1 3 339.527 4.218 20 30 EIEDHO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001172312174 1049875374 /nfs/dbraw/zinc/87/53/74/1049875374.db2.gz FOIOTMOSZYKSDE-GOSISDBHSA-N 1 3 339.527 4.218 20 30 EIEDHO C[C@H](Cc1ccc(C#N)cc1)N(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172312174 1049875377 /nfs/dbraw/zinc/87/53/77/1049875377.db2.gz FOIOTMOSZYKSDE-GOSISDBHSA-N 1 3 339.527 4.218 20 30 EIEDHO C[C@H](CCCC#N)[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001172488453 1049920359 /nfs/dbraw/zinc/92/03/59/1049920359.db2.gz SYMZGSQTBFYPDS-MRXNPFEDSA-N 1 3 333.907 4.224 20 30 EIEDHO CCCCCCCC[C@@H](CC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001172503434 1049924199 /nfs/dbraw/zinc/92/41/99/1049924199.db2.gz RBHBJBIWKVQSTQ-HXUWFJFHSA-N 1 3 325.585 4.131 20 30 EIEDHO C=CCOC1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC001173317401 1050441444 /nfs/dbraw/zinc/44/14/44/1050441444.db2.gz WSNFFEIOYWULFS-UHFFFAOYSA-N 1 3 334.548 4.135 20 30 EIEDHO C[C@@]1(C#N)CCN(CCCCCCCCC[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000852687139 1053601484 /nfs/dbraw/zinc/60/14/84/1053601484.db2.gz PWBBOMWIRBZYRQ-SFTDATJTSA-N 1 3 344.547 4.188 20 30 EIEDHO C[C@@]1(C#N)CCN(CCCCCCCCC[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000852687139 1053601501 /nfs/dbraw/zinc/60/15/01/1053601501.db2.gz PWBBOMWIRBZYRQ-SFTDATJTSA-N 1 3 344.547 4.188 20 30 EIEDHO CC[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220904 1021921809 /nfs/dbraw/zinc/92/18/09/1021921809.db2.gz LEEULMLEQGTQEH-JTHBVZDNSA-N 1 3 347.506 4.164 20 30 EIEDHO CC[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220904 1021921825 /nfs/dbraw/zinc/92/18/25/1021921825.db2.gz LEEULMLEQGTQEH-JTHBVZDNSA-N 1 3 347.506 4.164 20 30 EIEDHO CC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220904 1021921845 /nfs/dbraw/zinc/92/18/45/1021921845.db2.gz LEEULMLEQGTQEH-JTHBVZDNSA-N 1 3 347.506 4.164 20 30 EIEDHO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962490 1022726073 /nfs/dbraw/zinc/72/60/73/1022726073.db2.gz BTYILOLPIVWLBN-NQIIRXRSSA-N 1 3 333.479 4.121 20 30 EIEDHO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962490 1022726094 /nfs/dbraw/zinc/72/60/94/1022726094.db2.gz BTYILOLPIVWLBN-NQIIRXRSSA-N 1 3 333.479 4.121 20 30 EIEDHO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCCN(CCCC(C)(C)C#N)CC1 ZINC000156954793 1028877448 /nfs/dbraw/zinc/87/74/48/1028877448.db2.gz LLEIMTJQXUMUAS-LJQANCHMSA-N 1 3 346.563 4.433 20 30 EIEDHO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCCN(CCCC(C)(C)C#N)CC1 ZINC000156954793 1028877449 /nfs/dbraw/zinc/87/74/49/1028877449.db2.gz LLEIMTJQXUMUAS-LJQANCHMSA-N 1 3 346.563 4.433 20 30 EIEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584439178 1029870848 /nfs/dbraw/zinc/87/08/48/1029870848.db2.gz JBGAUNLFMYEDGS-YFXJRYMSSA-N 1 3 345.490 4.073 20 30 EIEDHO C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584439178 1029870850 /nfs/dbraw/zinc/87/08/50/1029870850.db2.gz JBGAUNLFMYEDGS-YFXJRYMSSA-N 1 3 345.490 4.073 20 30 EIEDHO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658165153 1030862751 /nfs/dbraw/zinc/86/27/51/1030862751.db2.gz PVRVPGYOCRXLFL-LEWJYISDSA-N 1 3 327.516 4.018 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000398121862 1034545629 /nfs/dbraw/zinc/54/56/29/1034545629.db2.gz HHALCFCDWPMKLQ-NPPFBWRTSA-N 1 3 333.479 4.119 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000398121862 1034545641 /nfs/dbraw/zinc/54/56/41/1034545641.db2.gz HHALCFCDWPMKLQ-NPPFBWRTSA-N 1 3 333.479 4.119 20 30 EIEDHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594915667 1038427321 /nfs/dbraw/zinc/42/73/21/1038427321.db2.gz AXLDUTXBRSGMAN-UHFFFAOYSA-N 1 3 347.506 4.373 20 30 EIEDHO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550818664 1039372915 /nfs/dbraw/zinc/37/29/15/1039372915.db2.gz PNTUEPLNCYNSKY-IFMALSPDSA-N 1 3 336.479 4.177 20 30 EIEDHO C=CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550818664 1039372930 /nfs/dbraw/zinc/37/29/30/1039372930.db2.gz PNTUEPLNCYNSKY-IFMALSPDSA-N 1 3 336.479 4.177 20 30 EIEDHO C=CC[NH+]1CCC(N[C@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000178276357 1042862707 /nfs/dbraw/zinc/86/27/07/1042862707.db2.gz WMZJCQUFVBEWCB-SFHVURJKSA-N 1 3 334.891 4.102 20 30 EIEDHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392046 1045297865 /nfs/dbraw/zinc/29/78/65/1045297865.db2.gz JHFDIASADIXZGQ-QFIPXVFZSA-N 1 3 333.479 4.177 20 30 EIEDHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392046 1045297872 /nfs/dbraw/zinc/29/78/72/1045297872.db2.gz JHFDIASADIXZGQ-QFIPXVFZSA-N 1 3 333.479 4.177 20 30 EIEDHO C[C@@H](Cc1cccc(C#N)c1)N(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001171231421 1048871370 /nfs/dbraw/zinc/87/13/70/1048871370.db2.gz JNURGGNTTGKDTO-SFHVURJKSA-N 1 3 339.527 4.218 20 30 EIEDHO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001171231421 1048871374 /nfs/dbraw/zinc/87/13/74/1048871374.db2.gz JNURGGNTTGKDTO-SFHVURJKSA-N 1 3 339.527 4.218 20 30 EIEDHO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)C1CCN(C2CCCCC2)CC1 ZINC001171231421 1048871379 /nfs/dbraw/zinc/87/13/79/1048871379.db2.gz JNURGGNTTGKDTO-SFHVURJKSA-N 1 3 339.527 4.218 20 30 EIEDHO C=CCCN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136920032 1049551574 /nfs/dbraw/zinc/55/15/74/1049551574.db2.gz BGFACTOMZMTIDF-UHFFFAOYSA-N 1 3 326.406 4.178 20 30 EIEDHO C=CCCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136920032 1049551587 /nfs/dbraw/zinc/55/15/87/1049551587.db2.gz BGFACTOMZMTIDF-UHFFFAOYSA-N 1 3 326.406 4.178 20 30 EIEDHO N#CC[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172075029 1049844230 /nfs/dbraw/zinc/84/42/30/1049844230.db2.gz NLPUCYDBKZPCRR-YUMYIRISSA-N 1 3 337.511 4.198 20 30 EIEDHO N#CC[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172075029 1049844238 /nfs/dbraw/zinc/84/42/38/1049844238.db2.gz NLPUCYDBKZPCRR-YUMYIRISSA-N 1 3 337.511 4.198 20 30 EIEDHO CC1(C#N)CCC([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC001173591899 1050497317 /nfs/dbraw/zinc/49/73/17/1050497317.db2.gz WTCYYASUFSTZTH-UHFFFAOYSA-N 1 3 343.490 4.100 20 30 EIEDHO C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618801684 1050520520 /nfs/dbraw/zinc/52/05/20/1050520520.db2.gz BRJLGPRUFGRRIB-AMHTUMDSSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618801684 1050520533 /nfs/dbraw/zinc/52/05/33/1050520533.db2.gz BRJLGPRUFGRRIB-AMHTUMDSSA-N 1 3 345.490 4.046 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000153049963 1050941790 /nfs/dbraw/zinc/94/17/90/1050941790.db2.gz UBCUXUWYQJBBAJ-CQSZACIVSA-N 1 3 342.405 4.276 20 30 EIEDHO C#CCOc1ccc([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000123020281 1054077595 /nfs/dbraw/zinc/07/75/95/1054077595.db2.gz UOZJYPNLDZZXGS-IBGZPJMESA-N 1 3 348.490 4.145 20 30 EIEDHO C#CCOc1ccc([C@H](C)NCc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000123924866 1054363395 /nfs/dbraw/zinc/36/33/95/1054363395.db2.gz SLMNCDZAJLITES-SFHVURJKSA-N 1 3 336.479 4.001 20 30 EIEDHO C#CCOc1ccc([C@H](C)NCc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000123924866 1054363409 /nfs/dbraw/zinc/36/34/09/1054363409.db2.gz SLMNCDZAJLITES-SFHVURJKSA-N 1 3 336.479 4.001 20 30 EIEDHO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237906 1026388703 /nfs/dbraw/zinc/38/87/03/1026388703.db2.gz FJEQXORTBCZGMF-HSZRJFAPSA-N 1 3 345.490 4.143 20 30 EIEDHO C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237906 1026388718 /nfs/dbraw/zinc/38/87/18/1026388718.db2.gz FJEQXORTBCZGMF-HSZRJFAPSA-N 1 3 345.490 4.143 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187977858 1026912888 /nfs/dbraw/zinc/91/28/88/1026912888.db2.gz HIGVKLLARIUCKM-IBGZPJMESA-N 1 3 346.540 4.252 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000152999282 1029377902 /nfs/dbraw/zinc/37/79/02/1029377902.db2.gz RSHMGTPRVGWQKQ-CQSZACIVSA-N 1 3 326.406 4.397 20 30 EIEDHO C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512654744 1033630537 /nfs/dbraw/zinc/63/05/37/1033630537.db2.gz OJGVVDQZNJLLNR-BRWVUGGUSA-N 1 3 331.479 4.106 20 30 EIEDHO N#CC1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000602538415 1036490290 /nfs/dbraw/zinc/49/02/90/1036490290.db2.gz LUSITMXXZYUMHZ-UHFFFAOYSA-N 1 3 345.918 4.224 20 30 EIEDHO N#CCc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602701665 1036576161 /nfs/dbraw/zinc/57/61/61/1036576161.db2.gz WRQQJHKYIJTPMS-JTHBVZDNSA-N 1 3 345.490 4.210 20 30 EIEDHO N#CCc1ccc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602701665 1036576174 /nfs/dbraw/zinc/57/61/74/1036576174.db2.gz WRQQJHKYIJTPMS-JTHBVZDNSA-N 1 3 345.490 4.210 20 30 EIEDHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336709 1036737741 /nfs/dbraw/zinc/73/77/41/1036737741.db2.gz FKVNNNXAWZCWQG-QFIPXVFZSA-N 1 3 333.479 4.176 20 30 EIEDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336709 1036737762 /nfs/dbraw/zinc/73/77/62/1036737762.db2.gz FKVNNNXAWZCWQG-QFIPXVFZSA-N 1 3 333.479 4.176 20 30 EIEDHO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000185817441 1043222914 /nfs/dbraw/zinc/22/29/14/1043222914.db2.gz JKBMJMSVMKLDFY-MJGOQNOKSA-N 1 3 345.918 4.224 20 30 EIEDHO N=C(Nc1ccc([C@@H]2CCC[NH2+]C2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171186574 1048677744 /nfs/dbraw/zinc/67/77/44/1048677744.db2.gz VKDSCQOSEBKXMT-LJQANCHMSA-N 1 3 345.446 4.049 20 30 EIEDHO CCCCCCCC[C@H](CC)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001172503432 1049924647 /nfs/dbraw/zinc/92/46/47/1049924647.db2.gz RBHBJBIWKVQSTQ-FQEVSTJZSA-N 1 3 325.585 4.131 20 30 EIEDHO N#CCC1CCC([NH+]2CCC(N)(c3ccccc3Cl)CC2)CC1 ZINC001173332057 1050422212 /nfs/dbraw/zinc/42/22/12/1050422212.db2.gz HBUGIGYHBNBADP-UHFFFAOYSA-N 1 3 331.891 4.062 20 30 EIEDHO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444915 1022823276 /nfs/dbraw/zinc/82/32/76/1022823276.db2.gz YVRNDROJHKWWTN-RYRKJORJSA-N 1 3 339.508 4.181 20 30 EIEDHO CN(C)CC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000519796148 1026994746 /nfs/dbraw/zinc/99/47/46/1026994746.db2.gz YJNRAHHRTPQSHK-INIZCTEOSA-N 1 3 341.421 4.033 20 30 EIEDHO C#CCOc1ccc(CNC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000237483277 1027235792 /nfs/dbraw/zinc/23/57/92/1027235792.db2.gz TYYPNTWKMVOWMM-IBGZPJMESA-N 1 3 348.490 4.014 20 30 EIEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000463285026 1041475669 /nfs/dbraw/zinc/47/56/69/1041475669.db2.gz SKKVPNVUPRWQKG-VQQMMKBISA-N 1 3 339.527 4.336 20 30 EIEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000463285026 1041475676 /nfs/dbraw/zinc/47/56/76/1041475676.db2.gz SKKVPNVUPRWQKG-VQQMMKBISA-N 1 3 339.527 4.336 20 30 EIEDHO C(#CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1)c1ccccc1 ZINC001168004335 1042916516 /nfs/dbraw/zinc/91/65/16/1042916516.db2.gz SYIISOLTJBMKER-VSGJHWFKSA-N 1 3 348.534 4.156 20 30 EIEDHO C(#CC1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)c1ccccc1 ZINC001168004335 1042916522 /nfs/dbraw/zinc/91/65/22/1042916522.db2.gz SYIISOLTJBMKER-VSGJHWFKSA-N 1 3 348.534 4.156 20 30 EIEDHO C(#CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1)c1ccccc1 ZINC001168004335 1042916533 /nfs/dbraw/zinc/91/65/33/1042916533.db2.gz SYIISOLTJBMKER-VSGJHWFKSA-N 1 3 348.534 4.156 20 30 EIEDHO CC(C)(CCC#N)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246437882 1049973602 /nfs/dbraw/zinc/97/36/02/1049973602.db2.gz NFECZAHYKNSFAD-LEWJYISDSA-N 1 3 339.527 4.303 20 30 EIEDHO CC(C)(CCC#N)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246437882 1049973604 /nfs/dbraw/zinc/97/36/04/1049973604.db2.gz NFECZAHYKNSFAD-LEWJYISDSA-N 1 3 339.527 4.303 20 30 EIEDHO C=CCOC1CCC(N2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001173317162 1050438502 /nfs/dbraw/zinc/43/85/02/1050438502.db2.gz BUESQFPRHXXHOC-UHFFFAOYSA-N 1 3 348.918 4.104 20 30 EIEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619465922 1050789138 /nfs/dbraw/zinc/78/91/38/1050789138.db2.gz HYVYPFDOSLLCMZ-OFNKIYASSA-N 1 3 345.490 4.047 20 30 EIEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000619465922 1050789155 /nfs/dbraw/zinc/78/91/55/1050789155.db2.gz HYVYPFDOSLLCMZ-OFNKIYASSA-N 1 3 345.490 4.047 20 30 EIEDHO CCCC[NH+](CCCC)CCNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001167735001 1022669188 /nfs/dbraw/zinc/66/91/88/1022669188.db2.gz SESIWZBAJIXKTJ-HAVVHWLPSA-N 1 3 343.519 4.094 20 30 EIEDHO C[C@@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962506 1022718615 /nfs/dbraw/zinc/71/86/15/1022718615.db2.gz BTYILOLPIVWLBN-WIYYLYMNSA-N 1 3 333.479 4.121 20 30 EIEDHO C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962506 1022718641 /nfs/dbraw/zinc/71/86/41/1022718641.db2.gz BTYILOLPIVWLBN-WIYYLYMNSA-N 1 3 333.479 4.121 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065495 1022848517 /nfs/dbraw/zinc/84/85/17/1022848517.db2.gz XZENSHBJDREWAS-GHTZIAJQSA-N 1 3 333.479 4.121 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065495 1022848523 /nfs/dbraw/zinc/84/85/23/1022848523.db2.gz XZENSHBJDREWAS-GHTZIAJQSA-N 1 3 333.479 4.121 20 30 EIEDHO CC[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220903 1026342679 /nfs/dbraw/zinc/34/26/79/1026342679.db2.gz LEEULMLEQGTQEH-GMAHTHKFSA-N 1 3 347.506 4.164 20 30 EIEDHO CC[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220903 1026342693 /nfs/dbraw/zinc/34/26/93/1026342693.db2.gz LEEULMLEQGTQEH-GMAHTHKFSA-N 1 3 347.506 4.164 20 30 EIEDHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220903 1026342704 /nfs/dbraw/zinc/34/27/04/1026342704.db2.gz LEEULMLEQGTQEH-GMAHTHKFSA-N 1 3 347.506 4.164 20 30 EIEDHO C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779949 1026546175 /nfs/dbraw/zinc/54/61/75/1026546175.db2.gz XYEGPCOCRAPGQP-GCJKJVERSA-N 1 3 345.490 4.406 20 30 EIEDHO C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779949 1026546188 /nfs/dbraw/zinc/54/61/88/1026546188.db2.gz XYEGPCOCRAPGQP-GCJKJVERSA-N 1 3 345.490 4.406 20 30 EIEDHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)CC[N@@H+]1Cc1ccccc1 ZINC000562082608 1026756433 /nfs/dbraw/zinc/75/64/33/1026756433.db2.gz QIEFPVHLSVTHJD-OAOOKAIFSA-N 1 3 345.490 4.188 20 30 EIEDHO C[C@@H]1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)CC[N@H+]1Cc1ccccc1 ZINC000562082608 1026756449 /nfs/dbraw/zinc/75/64/49/1026756449.db2.gz QIEFPVHLSVTHJD-OAOOKAIFSA-N 1 3 345.490 4.188 20 30 EIEDHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594924563 1038430163 /nfs/dbraw/zinc/43/01/63/1038430163.db2.gz JTVSSVBVNIFSAY-UHFFFAOYSA-N 1 3 347.506 4.372 20 30 EIEDHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594924563 1038430175 /nfs/dbraw/zinc/43/01/75/1038430175.db2.gz JTVSSVBVNIFSAY-UHFFFAOYSA-N 1 3 347.506 4.372 20 30 EIEDHO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000551560338 1040411078 /nfs/dbraw/zinc/41/10/78/1040411078.db2.gz RMQXTCDVSJCXCW-RXVVDRJESA-N 1 3 345.490 4.048 20 30 EIEDHO Cc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1C#N ZINC000443992889 1042727574 /nfs/dbraw/zinc/72/75/74/1042727574.db2.gz HUGSPQDLUCFTTE-AZUAARDMSA-N 1 3 339.508 4.101 20 30 EIEDHO Cc1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1C#N ZINC000443992889 1042727583 /nfs/dbraw/zinc/72/75/83/1042727583.db2.gz HUGSPQDLUCFTTE-AZUAARDMSA-N 1 3 339.508 4.101 20 30 EIEDHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033840 1043587515 /nfs/dbraw/zinc/58/75/15/1043587515.db2.gz QDSFUIFNVZUQRT-HOIFWPIMSA-N 1 3 333.479 4.359 20 30 EIEDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033840 1043587527 /nfs/dbraw/zinc/58/75/27/1043587527.db2.gz QDSFUIFNVZUQRT-HOIFWPIMSA-N 1 3 333.479 4.359 20 30 EIEDHO CC1(C)CC(N)CC(C)(C)[NH+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359385 1046014077 /nfs/dbraw/zinc/01/40/77/1046014077.db2.gz UQXUUQZUUZHXRK-UHFFFAOYSA-N 1 3 339.527 4.371 20 30 EIEDHO C=CCSCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775403634 1051245747 /nfs/dbraw/zinc/24/57/47/1051245747.db2.gz HQRBBYALIBBVBN-QGZVFWFLSA-N 1 3 348.556 4.251 20 30 EIEDHO C#CCOc1ccc([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000123020499 1054077409 /nfs/dbraw/zinc/07/74/09/1054077409.db2.gz UOZJYPNLDZZXGS-LJQANCHMSA-N 1 3 348.490 4.145 20 30 EIEDHO C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779951 1023311028 /nfs/dbraw/zinc/31/10/28/1023311028.db2.gz XYEGPCOCRAPGQP-XMSQKQJNSA-N 1 3 345.490 4.406 20 30 EIEDHO C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779951 1023311034 /nfs/dbraw/zinc/31/10/34/1023311034.db2.gz XYEGPCOCRAPGQP-XMSQKQJNSA-N 1 3 345.490 4.406 20 30 EIEDHO CC[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447563753 1030175164 /nfs/dbraw/zinc/17/51/64/1030175164.db2.gz SDYZOGDVNAHXHP-HSZRJFAPSA-N 1 3 347.506 4.306 20 30 EIEDHO CN1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1(C)C ZINC000598973450 1036837355 /nfs/dbraw/zinc/83/73/55/1036837355.db2.gz ITFRWSNOJIBYFG-HXUWFJFHSA-N 1 3 333.479 4.188 20 30 EIEDHO C=CC[NH+]1CCC(N[C@@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000178276367 1042862594 /nfs/dbraw/zinc/86/25/94/1042862594.db2.gz WMZJCQUFVBEWCB-GOSISDBHSA-N 1 3 334.891 4.102 20 30 EIEDHO CCCCCCC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000766121759 1044260245 /nfs/dbraw/zinc/26/02/45/1044260245.db2.gz HMPCQOUUTLAFFO-FQEVSTJZSA-N 1 3 332.532 4.135 20 30 EIEDHO C[C@@H](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCCCC1 ZINC000543392945 1044495431 /nfs/dbraw/zinc/49/54/31/1044495431.db2.gz JZHHAEHAGCRMHA-KPQWGBOZSA-N 1 3 339.527 4.245 20 30 EIEDHO C#Cc1ccc(CNCc2cccc(C[NH+]3CCC(C)CC3)c2)cc1 ZINC000809616727 1048421144 /nfs/dbraw/zinc/42/11/44/1048421144.db2.gz WMTJUMDIYJFIKT-UHFFFAOYSA-N 1 3 332.491 4.190 20 30 EIEDHO C#Cc1ccc(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000809605522 1048439676 /nfs/dbraw/zinc/43/96/76/1048439676.db2.gz DCBKSEAKWZMKHH-LJQANCHMSA-N 1 3 332.491 4.190 20 30 EIEDHO C#Cc1ccc(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000809605522 1048439691 /nfs/dbraw/zinc/43/96/91/1048439691.db2.gz DCBKSEAKWZMKHH-LJQANCHMSA-N 1 3 332.491 4.190 20 30 EIEDHO C#Cc1ccc(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000809605521 1048440203 /nfs/dbraw/zinc/44/02/03/1048440203.db2.gz DCBKSEAKWZMKHH-IBGZPJMESA-N 1 3 332.491 4.190 20 30 EIEDHO C#Cc1ccc(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000809605521 1048440216 /nfs/dbraw/zinc/44/02/16/1048440216.db2.gz DCBKSEAKWZMKHH-IBGZPJMESA-N 1 3 332.491 4.190 20 30 EIEDHO C[N@@H+]1CC[C@H](c2ccc(NC(=N)c3ccc4cc(O)ccc4c3)cc2)C1 ZINC001171185385 1048682002 /nfs/dbraw/zinc/68/20/02/1048682002.db2.gz ITWWCZPCRHIUPB-IBGZPJMESA-N 1 3 345.446 4.002 20 30 EIEDHO C[N@H+]1CC[C@H](c2ccc(NC(=N)c3ccc4cc(O)ccc4c3)cc2)C1 ZINC001171185385 1048682009 /nfs/dbraw/zinc/68/20/09/1048682009.db2.gz ITWWCZPCRHIUPB-IBGZPJMESA-N 1 3 345.446 4.002 20 30 EIEDHO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(N(C)Cc2ccccc2)CC1 ZINC001171220996 1048856833 /nfs/dbraw/zinc/85/68/33/1048856833.db2.gz GVXLUXWXRUFLFI-LJQANCHMSA-N 1 3 347.506 4.086 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000153047238 1050943602 /nfs/dbraw/zinc/94/36/02/1050943602.db2.gz XJOYTHBYOGVFTF-QGZVFWFLSA-N 1 3 346.515 4.175 20 30 EIEDHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000067668269 526252172 /nfs/dbraw/zinc/25/21/72/526252172.db2.gz XWBYSCHJUDQMAB-SFHVURJKSA-N 1 3 333.479 4.222 20 30 EIEDHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000067668269 526252174 /nfs/dbraw/zinc/25/21/74/526252174.db2.gz XWBYSCHJUDQMAB-SFHVURJKSA-N 1 3 333.479 4.222 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962482 1023488795 /nfs/dbraw/zinc/48/87/95/1023488795.db2.gz BTYILOLPIVWLBN-GHTZIAJQSA-N 1 3 333.479 4.121 20 30 EIEDHO C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962482 1023488809 /nfs/dbraw/zinc/48/88/09/1023488809.db2.gz BTYILOLPIVWLBN-GHTZIAJQSA-N 1 3 333.479 4.121 20 30 EIEDHO C#CCOc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000162912151 1025186190 /nfs/dbraw/zinc/18/61/90/1025186190.db2.gz IWPCOVNURGFSCO-IBGZPJMESA-N 1 3 348.490 4.145 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000153019247 1026929079 /nfs/dbraw/zinc/92/90/79/1026929079.db2.gz FAQZGEPYJFUSIZ-HNNXBMFYSA-N 1 3 334.529 4.108 20 30 EIEDHO N#CCc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024370 1027858784 /nfs/dbraw/zinc/85/87/84/1027858784.db2.gz YNMJYMYCSKUQJC-JOCHJYFZSA-N 1 3 345.490 4.039 20 30 EIEDHO N#CCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024370 1027858793 /nfs/dbraw/zinc/85/87/93/1027858793.db2.gz YNMJYMYCSKUQJC-JOCHJYFZSA-N 1 3 345.490 4.039 20 30 EIEDHO C[N@H+](CCCC(C)(C)C#N)[C@H]1CCCN(CCCC(C)(C)C#N)CC1 ZINC000156954643 1028877950 /nfs/dbraw/zinc/87/79/50/1028877950.db2.gz LLEIMTJQXUMUAS-IBGZPJMESA-N 1 3 346.563 4.433 20 30 EIEDHO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCCN(CCCC(C)(C)C#N)CC1 ZINC000156954643 1028877951 /nfs/dbraw/zinc/87/79/51/1028877951.db2.gz LLEIMTJQXUMUAS-IBGZPJMESA-N 1 3 346.563 4.433 20 30 EIEDHO N#CCc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602701660 1036577488 /nfs/dbraw/zinc/57/74/88/1036577488.db2.gz WRQQJHKYIJTPMS-FYYLOGMGSA-N 1 3 345.490 4.210 20 30 EIEDHO N#CCc1ccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602701660 1036577521 /nfs/dbraw/zinc/57/75/21/1036577521.db2.gz WRQQJHKYIJTPMS-FYYLOGMGSA-N 1 3 345.490 4.210 20 30 EIEDHO CC[NH+](CC)Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000554996769 1038821816 /nfs/dbraw/zinc/82/18/16/1038821816.db2.gz CUHOCJAJXBKDLI-JOCHJYFZSA-N 1 3 333.479 4.177 20 30 EIEDHO C=CC[NH+]1CCC(N[C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000513830042 1039308359 /nfs/dbraw/zinc/30/83/59/1039308359.db2.gz OTOCAMPCOIKYNZ-HXUWFJFHSA-N 1 3 340.511 4.453 20 30 EIEDHO C=CC[NH+]1CCC(N[C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000513830041 1039308907 /nfs/dbraw/zinc/30/89/07/1039308907.db2.gz OTOCAMPCOIKYNZ-FQEVSTJZSA-N 1 3 340.511 4.453 20 30 EIEDHO C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516690450 1041710181 /nfs/dbraw/zinc/71/01/81/1041710181.db2.gz PJPJWWRSQMRYHQ-AMHTUMDSSA-N 1 3 345.490 4.046 20 30 EIEDHO C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516690450 1041710183 /nfs/dbraw/zinc/71/01/83/1041710183.db2.gz PJPJWWRSQMRYHQ-AMHTUMDSSA-N 1 3 345.490 4.046 20 30 EIEDHO N#C[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000185817381 1043223048 /nfs/dbraw/zinc/22/30/48/1043223048.db2.gz JKBMJMSVMKLDFY-PKOBYXMFSA-N 1 3 345.918 4.224 20 30 EIEDHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000153684426 1045447310 /nfs/dbraw/zinc/44/73/10/1045447310.db2.gz HHALCFCDWPMKLQ-SPEDKVCISA-N 1 3 333.479 4.119 20 30 EIEDHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000153684426 1045447312 /nfs/dbraw/zinc/44/73/12/1045447312.db2.gz HHALCFCDWPMKLQ-SPEDKVCISA-N 1 3 333.479 4.119 20 30 EIEDHO CC(C)(CCC#N)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000092043832 1050310261 /nfs/dbraw/zinc/31/02/61/1050310261.db2.gz NFECZAHYKNSFAD-RTWAWAEBSA-N 1 3 339.527 4.303 20 30 EIEDHO CC(C)(CCC#N)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000092043832 1050310274 /nfs/dbraw/zinc/31/02/74/1050310274.db2.gz NFECZAHYKNSFAD-RTWAWAEBSA-N 1 3 339.527 4.303 20 30 EIEDHO C=C[C@H]1CCCC[N@@H+]1CCCN1CCC(Cc2ccccc2)CC1 ZINC001193943418 1052043664 /nfs/dbraw/zinc/04/36/64/1052043664.db2.gz WUBTVIJGNLNYIK-QFIPXVFZSA-N 1 3 326.528 4.372 20 30 EIEDHO C=C[C@H]1CCCC[N@H+]1CCCN1CCC(Cc2ccccc2)CC1 ZINC001193943418 1052043678 /nfs/dbraw/zinc/04/36/78/1052043678.db2.gz WUBTVIJGNLNYIK-QFIPXVFZSA-N 1 3 326.528 4.372 20 30 EIEDHO C[C@@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399547 1055439059 /nfs/dbraw/zinc/43/90/59/1055439059.db2.gz WIMNMJTWEILWNT-KCESLBEFSA-N 1 3 347.506 4.365 20 30 EIEDHO C[C@@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399547 1055439071 /nfs/dbraw/zinc/43/90/71/1055439071.db2.gz WIMNMJTWEILWNT-KCESLBEFSA-N 1 3 347.506 4.365 20 30 EIEDHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542946941 1056833575 /nfs/dbraw/zinc/83/35/75/1056833575.db2.gz GJDMHGMPPDYVQR-SFHVURJKSA-N 1 3 333.479 4.362 20 30 EIEDHO Cc1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1C#N ZINC000443992892 1042734018 /nfs/dbraw/zinc/73/40/18/1042734018.db2.gz HUGSPQDLUCFTTE-UYAOXDASSA-N 1 3 339.508 4.101 20 30 EIEDHO Cc1cc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1C#N ZINC000443992892 1042734023 /nfs/dbraw/zinc/73/40/23/1042734023.db2.gz HUGSPQDLUCFTTE-UYAOXDASSA-N 1 3 339.508 4.101 20 30 EIEDHO C=C(C)C[NH+]1CCC(N[C@@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000427706716 1043170042 /nfs/dbraw/zinc/17/00/42/1043170042.db2.gz VQMYMLDWEMBVAM-LJQANCHMSA-N 1 3 330.541 4.470 20 30 EIEDHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392040 1045297265 /nfs/dbraw/zinc/29/72/65/1045297265.db2.gz JHFDIASADIXZGQ-JOCHJYFZSA-N 1 3 333.479 4.177 20 30 EIEDHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392040 1045297282 /nfs/dbraw/zinc/29/72/82/1045297282.db2.gz JHFDIASADIXZGQ-JOCHJYFZSA-N 1 3 333.479 4.177 20 30 EIEDHO CC1(C)C[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001171963742 1049825716 /nfs/dbraw/zinc/82/57/16/1049825716.db2.gz JAEFDVGVWOAXBV-NRFANRHFSA-N 1 3 333.479 4.091 20 30 EIEDHO C=CCOC1CCC([NH+]2CCC(N)(c3ccccc3Cl)CC2)CC1 ZINC001173318892 1050441652 /nfs/dbraw/zinc/44/16/52/1050441652.db2.gz OZYAOSAMHDDVPF-UHFFFAOYSA-N 1 3 348.918 4.104 20 30 EIEDHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000618805551 1050532619 /nfs/dbraw/zinc/53/26/19/1050532619.db2.gz HMUKLJUUKORBQZ-FRGLQRNOSA-N 1 3 345.490 4.188 20 30 EIEDHO C[C@@H]1C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CC[N@H+]1Cc1ccccc1 ZINC000618805551 1050532626 /nfs/dbraw/zinc/53/26/26/1050532626.db2.gz HMUKLJUUKORBQZ-FRGLQRNOSA-N 1 3 345.490 4.188 20 30 EIEDHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1C(C)(C)C#N ZINC000859214493 1054645040 /nfs/dbraw/zinc/64/50/40/1054645040.db2.gz JBSYXVSAZFWSNE-UHFFFAOYSA-N 1 3 335.495 4.181 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779950 1026574435 /nfs/dbraw/zinc/57/44/35/1026574435.db2.gz XYEGPCOCRAPGQP-PGRDOPGGSA-N 1 3 345.490 4.406 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779950 1026574440 /nfs/dbraw/zinc/57/44/40/1026574440.db2.gz XYEGPCOCRAPGQP-PGRDOPGGSA-N 1 3 345.490 4.406 20 30 EIEDHO CC(C)(C#N)CCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512291276 1026653891 /nfs/dbraw/zinc/65/38/91/1026653891.db2.gz GZYUEKCMGYPWJX-QFIPXVFZSA-N 1 3 339.527 4.304 20 30 EIEDHO CC(C)(C#N)CCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512291276 1026653895 /nfs/dbraw/zinc/65/38/95/1026653895.db2.gz GZYUEKCMGYPWJX-QFIPXVFZSA-N 1 3 339.527 4.304 20 30 EIEDHO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CN1CCCCC1 ZINC000507622148 1026850601 /nfs/dbraw/zinc/85/06/01/1026850601.db2.gz QYBJZXQMRHYCND-KPQWGBOZSA-N 1 3 339.527 4.102 20 30 EIEDHO C=CCC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccco1 ZINC000658166111 1030862677 /nfs/dbraw/zinc/86/26/77/1030862677.db2.gz MMIUBSRVYHEVLJ-FQEVSTJZSA-N 1 3 339.483 4.184 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000398121619 1034544905 /nfs/dbraw/zinc/54/49/05/1034544905.db2.gz HHALCFCDWPMKLQ-KGVIQGDOSA-N 1 3 333.479 4.119 20 30 EIEDHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000398121619 1034544908 /nfs/dbraw/zinc/54/49/08/1034544908.db2.gz HHALCFCDWPMKLQ-KGVIQGDOSA-N 1 3 333.479 4.119 20 30 EIEDHO N#Cc1cccc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000063776040 1038824808 /nfs/dbraw/zinc/82/48/08/1038824808.db2.gz XNUNLCABKHPGQV-UHFFFAOYSA-N 1 3 333.479 4.224 20 30 EIEDHO N#C[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172073564 1049844388 /nfs/dbraw/zinc/84/43/88/1049844388.db2.gz AMJQSMAJCPTKET-UVUJQTEASA-N 1 3 337.511 4.198 20 30 EIEDHO N#C[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172073564 1049844394 /nfs/dbraw/zinc/84/43/94/1049844394.db2.gz AMJQSMAJCPTKET-UVUJQTEASA-N 1 3 337.511 4.198 20 30 EIEDHO C#CCCCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775414221 1051280983 /nfs/dbraw/zinc/28/09/83/1051280983.db2.gz FQSFSUIIJJSUMX-GOSISDBHSA-N 1 3 328.500 4.135 20 30 EIEDHO C#CC[C@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000775523524 1051701774 /nfs/dbraw/zinc/70/17/74/1051701774.db2.gz JQOAHLDIQRPWRA-OIBXWCBGSA-N 1 3 332.491 4.251 20 30 EIEDHO